| 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 | 29.2 | Very low | 55.2 | Low | 242 Ų | 242 | 118.2 Ų | 118.2 | 100% | 1.192 | 65% | 0.654 | S | S | * | * | 0 | 93.9 | 0 | -83.3 | 178.7 | -97.8 | 0 | 0 | 108.2 | |||||
| 2 | I | 32.1 | Very low | 58.5 | Low | 170 Ų | 170 | 111.5 Ų | 111.5 | 87% | 0.872 | 62% | 0.622 | S | S | * | * | trans | -120.5 | 97.1 | 162.6 | -49.2 | 177.7 | 0 | 0 | 0 | 102.2 | E4 | I2-E4 PolarHBondContact O-N 2.9Š| ||
| 3 | G | 33.6 | Very low | 61.3 | Low | 63 Ų | 63 | 103.5 Ų | 103.5 | 65% | 0.649 | 58% | 0.577 | S | S | * | * | trans | -56.6 | 128.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | V5 | G3-V5 PolarHBondContact O-N 3.03Š| ||
| 4 | E | 29.5 | Very low | 63.9 | Low | 191 Ų | 191 | 96.3 Ų | 96.3 | 89% | 0.893 | 54% | 0.537 | S | S | * | . | trans | -51.8 | 106.8 | 170.6 | -69 | 176.6 | 155.1 | 0 | 0 | 108 | I2 S6 | I2-E4 PolarHBondContact O-N 2.9Å; E4-S6 PolarHBondContact O-N 2.88Å | ||
| 5 | V | 34.5 | Very low | 66 | Low | 122 Ų | 122 | 94.5 Ų | 94.5 | 74% | 0.739 | 52% | 0.519 | S | S | * | . | trans | -70 | 91.8 | 165.5 | -173.4 | 0 | 0 | 0 | 0 | 104.8 | G3 T7 | G3-V5 PolarHBondContact O-N 3.03Å; V5-T7 HydrophobicContact CB-CG2 4.45Å; V5-T7 HydrophobicContact CG1-CG2 3.58Å; V5-T7 PolarHBondContact O-N 2.88Å | ||
| 6 | S | 40.9 | Very low | 67.9 | Low | 99 Ų | 99 | 88.6 Ų | 88.6 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | trans | -64.4 | 80.9 | 164.1 | 64.1 | 0 | 0 | 0 | 0 | 107.2 | E4 N8 | E4-S6 PolarHBondContact O-N 2.88Å; S6-N8 PolarHBondContact O-N 3.24Å | ||
| 7 | T | 53.1 | Low | 69.5 | Low | 97 Ų | 97 | 86.8 Ų | 86.8 | 60% | 0.595 | 48% | 0.479 | S | S | * | . | trans | -66.7 | 90.2 | 167.6 | 47.6 | 0 | 0 | 0 | 0 | 106.3 | V5 K9 | V5-T7 HydrophobicContact CB-CG2 4.45Å; V5-T7 HydrophobicContact CG1-CG2 3.58Å; V5-T7 PolarHBondContact O-N 2.88Å; T7-K9 VanDerWaalsContact C-N 3.3Å; T7-K9 PolarHBondContact O-N 2.84Å | ||
| 8 | N | 76.9 | Confident | 70.7 | Confident | 127 Ų | 127 | 83.4 Ų | 83.4 | 68% | 0.679 | 47% | 0.467 | S | S | * | . | trans | -64.2 | 97.9 | 172.2 | -96.5 | -10.1 | 0 | 0 | 0 | 107.4 | S6 F10 M73 | S6-N8 PolarHBondContact O-N 3.24Å; N8-F10 PolarHBondContact O-N 2.98Å; N8-M73 WeakPolarHBondContact O-CE 3.12Å | ||
| 9 | K | 90.1 | Very high | 71.9 | Confident | 94 Ų | 94 | 85 Ų | 85 | 41% | 0.409 | 49% | 0.485 | S | S | . | . | trans | -65.8 | -17.1 | 177.2 | -70.7 | 171.9 | 174.7 | -177.9 | 0 | 112.9 | T7 C168 Y172 | T7-K9 VanDerWaalsContact C-N 3.3Å; T7-K9 PolarHBondContact O-N 2.84Å; K9-C168 VanDerWaalsContact O-CA 3.27Å; K9-C168 WeakPolarHBondContact O-CA 3.33Å; K9-C168 VanDerWaalsContact O-CB 3.28Å; K9-C168 WeakPolarHBondContact O-CB 3.48Å; K9-Y172 WeakPolarHBondContact CD-OH 3.49Å | ||
| 10 | F | 92.9 | Very high | 73 | Confident | 23 Ų | 23 | 87.4 Ų | 87.4 | 10% | 0.101 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 135.5 | -176.2 | -56.4 | -86.8 | 0 | 0 | 0 | 110.4 | N8 Y166 F167 C168 Y172 L177 P178 Y181 | N8-F10 PolarHBondContact O-N 2.98Å; F10-Y166 AromaticContact CD1-CD2 3.84Å; F10-Y166 HydrophobicContact CD1-CD2 3.84Å; F10-Y166 AromaticContact CD1-CE2 3.69Å; F10-Y166 HydrophobicContact CD1-CE2 3.69Å; F10-Y166 HydrophobicContact CE1-CE2 4.05Å; F10-F167 CarbonylContact C-O 3.57Å; F10-F167 WeakPolarHBondContact CA-O 3.45Å; F10-C168 HydrophobicContact CD1-CB 3.74Å; F10-C168 HydrophobicContact CE1-CB 3.97Å; F10-Y172 AromaticContact CE1-CD2 3.62Å; F10-Y172 HydrophobicContact CE1-CD2 3.62Å; F10-Y172 AromaticContact CE1-CE2 3.93Å; F10-Y172 HydrophobicContact CE1-CE2 3.93Å; F10-Y172 HydrophobicContact CE1-CG 4.09Å; F10-Y172 HydrophobicContact CZ-CD1 4.03Å; F10-Y172 AromaticContact CZ-CD2 3.65Å; F10-Y172 HydrophobicContact CZ-CD2 3.65Å; F10-Y172 HydrophobicContact CZ-CE1 4.12Å; F10-Y172 AromaticContact CZ-CE2 3.78Å; F10-Y172 HydrophobicContact CZ-CE2 3.78Å; F10-Y172 AromaticContact CZ-CG 3.8Å; F10-Y172 HydrophobicContact CZ-CG 3.8Å; F10-L177 HydrophobicContact CE1-CD2 3.75Å; F10-L177 HydrophobicContact CZ-CD2 3.97Å; F10-P178 HydrophobicContact CD2-CG 4.29Å; F10-P178 HydrophobicContact CE2-CG 3.88Å; F10-Y181 HydrophobicContact CB-CE1 3.85Å; F10-Y181 HydrophobicContact CB-CE2 4.26Å; F10-Y181 WeakPolarHBondContact CB-OH 3.5Å; F10-Y181 HydrophobicContact CD1-CD1 4.32Å; F10-Y181 HydrophobicContact CD1-CE1 4.15Å; F10-Y181 HydrophobicContact CG-CE1 4.14Å; F10-Y181 HydrophobicContact CG-CE2 4.39Å |
| 11 | L | 94.5 | Very high | 74 | Confident | 72 Ų | 72 | 84.4 Ų | 84.4 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 98.5 | 171.8 | 177.4 | 64.4 | 0 | 0 | 0 | 109.2 | V13 V71 M73 Y166 F167 | L11-V13 HydrophobicContact CG-CG1 4.43Å; L11-V13 PolarHBondContact O-N 3.14Å; L11-V71 HydrophobicContact CD2-CB 4.27Å; L11-V71 HydrophobicContact CD2-CG1 3.85Å; L11-V71 HydrophobicContact CD2-CG2 3.45Å; L11-V71 VanDerWaalsContact CD2-CG2 3.45Å; L11-M73 HydrophobicContact CB-CE 4.2Å; L11-M73 HydrophobicContact CB-SD 3.66Å; L11-Y166 CarbonylContact O-C 3.51Å; L11-Y166 WeakPolarHBondContact O-CA 3.48Å; L11-Y166 WeakPolarHBondContact O-CB 3.49Å; L11-F167 HydrophobicContact CB-CB 4.44Å; L11-F167 PolarHBondContact N-O 2.76Å; L11-F167 PolarHBondContact O-N 2.77Å |
| 12 | S | 94.3 | Very high | 77.2 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 27% | 0.266 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 122.8 | 173.2 | -75.3 | 0 | 0 | 0 | 0 | 110.6 | R164 Y181 | S12-R164 PolarHBondContact OG-NH1 3.39Å; S12-Y181 WeakPolarHBondContact OG-CE1 3.37Å; S12-Y181 PolarHBondContact OG-OH 2.7Å |
| 13 | V | 95.5 | Very high | 80.1 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -19.3 | 173.4 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | L11 M24 W25 L69 V165 F167 | L11-V13 HydrophobicContact CG-CG1 4.43Å; L11-V13 PolarHBondContact O-N 3.14Å; V13-M24 HydrophobicContact CB-CE 4.19Å; V13-M24 WeakPolarHBondContact O-CE 3.34Å; V13-W25 HydrophobicContact CB-CZ2 4.5Å; V13-W25 HydrophobicContact CG2-CZ2 4.02Å; V13-W25 PolarHBondContact O-NE1 2.68Å; V13-L69 HydrophobicContact CG1-CD2 4.11Å; V13-V165 HydrophobicContact CG2-CB 3.83Å; V13-V165 HydrophobicContact CG2-CG1 3.52Å; V13-V165 WeakPolarHBondContact CG2-O 3.43Å; V13-V165 PolarHBondContact N-O 3.37Å; V13-F167 HydrophobicContact CG1-CD2 4.01Å; V13-F167 HydrophobicContact CG1-CE2 3.89Å; V13-F167 HydrophobicContact CG2-CD2 4.3Å; V13-F167 HydrophobicContact CG2-CE2 3.88Å |
| 14 | F | 97.2 | Very high | 83 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 1% | 0.013 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 135 | 172.1 | 173.9 | -90.8 | 0 | 0 | 0 | 110 | P21 L22 W25 L47 L162 R164 V165 | F14-P21 HydrophobicContact CD2-CB 4.45Å; F14-P21 WeakPolarHBondContact CD2-O 3.46Å; F14-P21 HydrophobicContact CE2-CB 3.91Å; F14-P21 HydrophobicContact CZ-CB 4.44Å; F14-L22 HydrophobicContact CD2-CD2 4.29Å; F14-L22 HydrophobicContact CE2-CD2 4.03Å; F14-W25 HydrophobicContact CB-CZ2 3.71Å; F14-L47 HydrophobicContact CE2-CB 4.16Å; F14-L47 HydrophobicContact CE2-CD2 3.91Å; F14-L47 HydrophobicContact CZ-CB 3.56Å; F14-L47 HydrophobicContact CZ-CD2 4.09Å; F14-L47 HydrophobicContact CZ-CG 4.43Å; F14-L162 HydrophobicContact CD1-CD2 3.62Å; F14-L162 HydrophobicContact CD1-CG 3.74Å; F14-L162 HydrophobicContact CD2-CD2 4.32Å; F14-L162 HydrophobicContact CE1-CB 4.06Å; F14-L162 HydrophobicContact CE1-CD2 3.66Å; F14-L162 HydrophobicContact CE1-CG 3.55Å; F14-L162 HydrophobicContact CE2-CD2 4.34Å; F14-L162 HydrophobicContact CG-CD2 3.98Å; F14-L162 HydrophobicContact CZ-CB 4.43Å; F14-L162 HydrophobicContact CZ-CD2 4.04Å; F14-L162 HydrophobicContact CZ-CG 4.24Å; F14-R164 WeakPolarHBondContact O-CA 3.23Å; F14-R164 WeakPolarHBondContact O-CG 3.37Å; F14-V165 HydrophobicContact CB-CB 3.84Å; F14-V165 HydrophobicContact CB-CG2 3.88Å; F14-V165 HydrophobicContact CD1-CG2 4.21Å; F14-V165 HydrophobicContact CG-CG2 4.36Å; F14-V165 PolarHBondContact N-O 2.88Å; F14-V165 PolarHBondContact O-N 3.18Å |
| 15 | Y | 96.1 | Very high | 86.2 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 27% | 0.271 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 116.1 | 168.4 | -179.4 | -146.2 | 0 | 0 | 0 | 110.1 | V17 G18 P21 R163 R164 | Y15-V17 VanDerWaalsContact C-N 3.27Å; Y15-V17 HydrophobicContact CD1-CB 4.32Å; Y15-V17 HydrophobicContact CD2-CG2 4.43Å; Y15-V17 HydrophobicContact CE1-CB 3.74Å; Y15-V17 HydrophobicContact CE1-CG2 4.24Å; Y15-V17 HydrophobicContact CE2-CB 3.94Å; Y15-V17 HydrophobicContact CE2-CG2 3.6Å; Y15-V17 VanDerWaalsContact CZ-CG2 3.49Å; Y15-V17 PolarHBondContact O-N 2.97Å; Y15-V17 WeakPolarHBondContact OH-CG2 3.49Å; Y15-G18 PolarHBondContact O-N 2.84Å; Y15-P21 WeakPolarHBondContact O-CB 3.43Å; Y15-R163 PolarHBondContact OH-NH2 3.42Å; Y15-R164 VanDerWaalsContact CD2-CZ 3.42Å; Y15-R164 VanDerWaalsContact CD2-NH2 3.31Å |
| 16 | S | 96.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.4 | -170.2 | 56.2 | 0 | 0 | 0 | 0 | 115.1 | G18 R36 Y45 R163 | S16-G18 VanDerWaalsContact C-N 3.33Å; S16-R36 WeakPolarHBondContact O-CD 3.23Å; S16-Y45 WeakPolarHBondContact CB-O 3.13Å; S16-Y45 PolarHBondContact OG-O 2.95Å; S16-R163 PolarHBondContact N-O 3.42Å; S16-R163 VanDerWaalsContact N-O 3.08Å; S16-R163 WeakPolarHBondContact OG-CD 3.27Å; S16-R163 PolarHBondContact OG-NH1 3.31Å; S16-R163 PolarHBondContact OG-O 3.3Å; S16-R163 VanDerWaalsContact OG-O 3.11Å |
| 17 | V | 94.3 | Very high | 91.9 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 35% | 0.345 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19.7 | 176.7 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | Y15 R163 | Y15-V17 VanDerWaalsContact C-N 3.27Å; Y15-V17 HydrophobicContact CD1-CB 4.32Å; Y15-V17 HydrophobicContact CD2-CG2 4.43Å; Y15-V17 HydrophobicContact CE1-CB 3.74Å; Y15-V17 HydrophobicContact CE1-CG2 4.24Å; Y15-V17 HydrophobicContact CE2-CB 3.94Å; Y15-V17 HydrophobicContact CE2-CG2 3.6Å; Y15-V17 VanDerWaalsContact CZ-CG2 3.49Å; Y15-V17 PolarHBondContact O-N 2.97Å; Y15-V17 WeakPolarHBondContact OH-CG2 3.49Å; V17-R163 VanDerWaalsContact CG2-NH2 3.31Å |
| 18 | G | 91.2 | Very high | 93.9 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 27% | 0.268 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -55.7 | 155.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y15 S16 K20 P21 R36 | Y15-G18 PolarHBondContact O-N 2.84Å; S16-G18 VanDerWaalsContact C-N 3.33Å; G18-K20 VanDerWaalsContact C-N 3.31Å; G18-K20 PolarHBondContact O-N 3.26Å; G18-P21 WeakPolarHBondContact O-CD 3.19Å; G18-R36 PolarHBondContact O-NH1 2.89Å |
| 19 | S | 93 | Very high | 94.9 | Very high | 114 Ų | 114 | 56.9 Ų | 56.9 | 80% | 0.797 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -61.6 | -39.9 | 178.4 | 55 | 0 | 0 | 0 | 0 | 112.1 | ||
| 20 | K | 94.5 | Very high | 95.2 | Very high | 133 Ų | 133 | 56.1 Ų | 56.1 | 58% | 0.578 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -127.1 | 70.9 | 178.9 | -58.5 | -179.7 | -176.6 | 174.6 | 0 | 111.3 | G18 L22 E23 | G18-K20 VanDerWaalsContact C-N 3.31Å; G18-K20 PolarHBondContact O-N 3.26Å; K20-L22 PolarHBondContact O-N 2.94Å; K20-L22 VanDerWaalsContact O-N 3.13Å; K20-E23 HydrophobicContact CB-CB 3.94Å; K20-E23 IonicContact NZ-OE1 3.19Å; K20-E23 WeakPolarHBondContact O-CB 3.43Å; K20-E23 PolarHBondContact O-N 3.09Å; K20-E23 VanDerWaalsContact O-N 3.07Å |
| 21 | P | 94 | Very high | 95.2 | Very high | 25 Ų | 25 | 60 Ų | 60 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.1 | -170.3 | 26.9 | -34.8 | 0 | 0 | 0 | 113.6 | F14 Y15 G18 | F14-P21 HydrophobicContact CD2-CB 4.45Å; F14-P21 WeakPolarHBondContact CD2-O 3.46Å; F14-P21 HydrophobicContact CE2-CB 3.91Å; F14-P21 HydrophobicContact CZ-CB 4.44Å; Y15-P21 WeakPolarHBondContact O-CB 3.43Å; G18-P21 WeakPolarHBondContact O-CD 3.19Å |
| 22 | L | 95.6 | Very high | 95.2 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 13.9 | 180 | -65.6 | 175.6 | 0 | 0 | 0 | 113.2 | F14 K20 M24 W25 Q27 V34 L47 I59 | F14-L22 HydrophobicContact CD2-CD2 4.29Å; F14-L22 HydrophobicContact CE2-CD2 4.03Å; K20-L22 PolarHBondContact O-N 2.94Å; K20-L22 VanDerWaalsContact O-N 3.13Å; L22-M24 PolarHBondContact O-N 3.29Å; L22-M24 VanDerWaalsContact O-N 3.15Å; L22-W25 HydrophobicContact CB-CB 4.32Å; L22-W25 HydrophobicContact CD2-CB 3.78Å; L22-W25 HydrophobicContact CD2-CG 4.08Å; L22-W25 PolarHBondContact O-N 2.85Å; L22-W25 VanDerWaalsContact O-O 3.04Å; L22-Q27 HydrophobicContact CD1-CG 4.02Å; L22-V34 HydrophobicContact CD1-CG1 4.36Å; L22-L47 HydrophobicContact CD1-CD1 3.97Å; L22-L47 HydrophobicContact CD1-CD2 4.38Å; L22-L47 HydrophobicContact CD2-CD2 3.79Å; L22-L47 HydrophobicContact CG-CD1 4.47Å; L22-L47 HydrophobicContact CG-CD2 4.44Å; L22-I59 HydrophobicContact CD2-CD1 4.16Å; L22-I59 HydrophobicContact CD2-CG2 4.38Å |
| 23 | E | 93.9 | Very high | 95.3 | Very high | 122 Ų | 122 | 62.3 Ų | 62.3 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -35.5 | -177.6 | -176.7 | 164.4 | -133.1 | 0 | 0 | 113.1 | K20 N63 | K20-E23 HydrophobicContact CB-CB 3.94Å; K20-E23 IonicContact NZ-OE1 3.19Å; K20-E23 WeakPolarHBondContact O-CB 3.43Å; K20-E23 PolarHBondContact O-N 3.09Å; K20-E23 VanDerWaalsContact O-N 3.07Å; E23-N63 PolarHBondContact O-ND2 3.23Å |
| 24 | M | 94.1 | Very high | 95.4 | Very high | 70 Ų | 70 | 62.9 Ų | 62.9 | 35% | 0.345 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 6.7 | 178.4 | -60.1 | -169.7 | -67 | 0 | 0 | 113.8 | V13 L22 C61 P62 N63 | V13-M24 HydrophobicContact CB-CE 4.19Å; V13-M24 WeakPolarHBondContact O-CE 3.34Å; L22-M24 PolarHBondContact O-N 3.29Å; L22-M24 VanDerWaalsContact O-N 3.15Å; M24-C61 PolarHBondContact O-SG 2.99Å; M24-C61 VanDerWaalsContact O-SG 3.32Å; M24-P62 CarbonylContact O-C 3.51Å; M24-P62 WeakPolarHBondContact O-CA 3.21Å; M24-N63 PolarHBondContact O-N 2.84Å |
| 25 | W | 97.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 3% | 0.034 | 35% | 0.353 | C | S | . | . | trans | -122.9 | 137 | -169.6 | -63.6 | 76.4 | 0 | 0 | 0 | 111.9 | V13 F14 L22 I59 T60 C61 L154 I156 V165 | V13-W25 HydrophobicContact CB-CZ2 4.5Å; V13-W25 HydrophobicContact CG2-CZ2 4.02Å; V13-W25 PolarHBondContact O-NE1 2.68Å; F14-W25 HydrophobicContact CB-CZ2 3.71Å; L22-W25 HydrophobicContact CB-CB 4.32Å; L22-W25 HydrophobicContact CD2-CB 3.78Å; L22-W25 HydrophobicContact CD2-CG 4.08Å; L22-W25 PolarHBondContact O-N 2.85Å; L22-W25 VanDerWaalsContact O-O 3.04Å; W25-I59 HydrophobicContact CD2-CD1 4Å; W25-I59 HydrophobicContact CD2-CG1 4.42Å; W25-I59 HydrophobicContact CE3-CB 3.81Å; W25-I59 HydrophobicContact CE3-CD1 3.49Å; W25-I59 VanDerWaalsContact CE3-CD1 3.49Å; W25-I59 HydrophobicContact CE3-CG1 3.5Å; W25-I59 VanDerWaalsContact CE3-CG1 3.5Å; W25-I59 HydrophobicContact CH2-CD1 4.42Å; W25-I59 HydrophobicContact CZ3-CB 4.44Å; W25-I59 HydrophobicContact CZ3-CD1 3.74Å; W25-I59 HydrophobicContact CZ3-CG1 3.69Å; W25-T60 CarbonylContact C-O 3.49Å; W25-T60 WeakPolarHBondContact CA-O 3.43Å; W25-C61 HydrophobicContact CD2-CB 3.58Å; W25-C61 HydrophobicContact CE3-CB 3.6Å; W25-C61 HydrophobicContact CG-CB 4.28Å; W25-C61 HydrophobicContact CH2-CB 3.77Å; W25-C61 HydrophobicContact CZ2-CB 3.71Å; W25-C61 HydrophobicContact CZ3-CB 3.7Å; W25-L154 HydrophobicContact CH2-CD2 3.69Å; W25-L154 HydrophobicContact CH2-CG 4Å; W25-L154 HydrophobicContact CZ2-CD2 4.41Å; W25-L154 HydrophobicContact CZ3-CG 4.42Å; W25-I156 HydrophobicContact CH2-CD1 3.92Å; W25-I156 HydrophobicContact CH2-CG1 4.38Å; W25-I156 HydrophobicContact CZ3-CD1 4.28Å; W25-I156 HydrophobicContact CZ3-CG1 4.35Å; W25-V165 HydrophobicContact CH2-CG2 4.45Å; W25-V165 HydrophobicContact CZ2-CB 4.46Å; W25-V165 HydrophobicContact CZ2-CG2 4.44Å | ||
| 26 | D | 97 | Very high | 95.4 | Very high | 56 Ų | 56 | 68.6 Ų | 68.6 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 152.3 | 162.9 | -76.4 | -30.2 | 0 | 0 | 0 | 110.5 | I59 T60 N63 A64 | D26-I59 CarbonylContact O-C 3.55Å; D26-I59 WeakPolarHBondContact O-CA 3.42Å; D26-T60 PolarHBondContact N-O 2.79Å; D26-T60 PolarHBondContact O-N 2.73Å; D26-N63 WeakPolarHBondContact OD1-CB 3.45Å; D26-N63 WeakPolarHBondContact OD2-CA 3.08Å; D26-A64 WeakPolarHBondContact OD2-CB 3.27Å; D26-A64 PolarHBondContact OD2-N 2.96Å |
| 27 | Q | 96.9 | Very high | 95.4 | Very high | 97 Ų | 97 | 70.1 Ų | 70.1 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.3 | 177.3 | -62.5 | 175.8 | 71 | 0 | 0 | 109.3 | L22 V29 V34 I59 | L22-Q27 HydrophobicContact CD1-CG 4.02Å; Q27-V29 HydrophobicContact CB-CG2 4.44Å; Q27-V34 HydrophobicContact CG-CG1 4.37Å; Q27-V34 VanDerWaalsContact OE1-CG1 3.3Å; Q27-I59 HydrophobicContact CG-CG2 4.05Å |
| 28 | H | 96.7 | Very high | 95.6 | Very high | 79 Ų | 79 | 71 Ų | 71 | 37% | 0.366 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 116.1 | 171.2 | -62.6 | -82.8 | 0 | 0 | 0 | 107.4 | T57 Y58 | H28-T57 CarbonylContact O-C 3.47Å; H28-T57 VanDerWaalsContact O-CA 3.24Å; H28-T57 WeakPolarHBondContact O-CA 3.3Å; H28-Y58 HydrophobicContact CB-CD1 4.13Å; H28-Y58 HydrophobicContact CB-CD2 4.11Å; H28-Y58 HydrophobicContact CB-CE1 3.81Å; H28-Y58 HydrophobicContact CB-CE2 3.8Å; H28-Y58 HydrophobicContact CB-CG 4.27Å; H28-Y58 AromaticContact CD2-CD2 3.77Å; H28-Y58 AromaticContact CD2-CE2 3.15Å; H28-Y58 WeakPolarHBondContact CD2-CE2 3.25Å; H28-Y58 AromaticContact CD2-CZ 3.67Å; H28-Y58 AromaticContact CG-CE2 3.58Å; H28-Y58 AromaticContact CG-CZ 3.61Å; H28-Y58 PolarHBondContact N-O 2.77Å; H28-Y58 AromaticContact NE2-CE2 3.98Å; H28-Y58 PolarHBondContact O-N 3.24Å; H28-Y58 VanDerWaalsContact O-O 3.13Å |
| 29 | V | 97 | Very high | 95.8 | Very high | 68 Ų | 68 | 69.8 Ų | 69.8 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 112.2 | -174.1 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | Q27 G32 V34 T57 | Q27-V29 HydrophobicContact CB-CG2 4.44Å; V29-G32 WeakPolarHBondContact CG1-O 3.37Å; V29-V34 HydrophobicContact CG2-CB 4.23Å; V29-V34 HydrophobicContact CG2-CG2 3.72Å; V29-T57 HydrophobicContact CB-CG2 4.47Å; V29-T57 HydrophobicContact CG1-CG2 4.12Å; V29-T57 HydrophobicContact CG2-CG2 4.32Å |
| 30 | C | 95.5 | Very high | 95.9 | Very high | 77 Ų | 77 | 71.6 Ų | 71.6 | 52% | 0.52 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -131.6 | 114.8 | 172.6 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | G32 T56 T57 | C30-G32 VanDerWaalsContact C-N 3.35Å; C30-G32 PolarHBondContact O-N 2.7Å; C30-T56 WeakPolarHBondContact CB-O 3.11Å; C30-T56 PolarHBondContact N-O 3.01Å; C30-T56 PolarHBondContact O-OG1 3.28Å; C30-T57 PolarHBondContact N-OG1 2.99Å; C30-T57 PolarHBondContact O-OG1 2.84Å |
| 31 | N | 93 | Very high | 95.8 | Very high | 106 Ų | 106 | 67.7 Ų | 67.7 | 57% | 0.567 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 53.1 | 48.5 | -174.3 | -160.2 | 21.6 | 0 | 0 | 0 | 113.3 | Q52 | N31-Q52 PolarHBondContact ND2-NE2 2.85Å; N31-Q52 PolarHBondContact ND2-OE1 2.78Å; N31-Q52 VanDerWaalsContact ND2-OE1 3.1Å; N31-Q52 PolarHBondContact O-N 3.25Å |
| 32 | G | 95.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 67 Ų | 67 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | -168.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V29 C30 L50 | V29-G32 WeakPolarHBondContact CG1-O 3.37Å; C30-G32 VanDerWaalsContact C-N 3.35Å; C30-G32 PolarHBondContact O-N 2.7Å; G32-L50 CarbonylContact C-O 3.59Å; G32-L50 WeakPolarHBondContact CA-O 3.38Å |
| 33 | R | 96.1 | Very high | 95.7 | Very high | 124 Ų | 124 | 71.2 Ų | 71.2 | 47% | 0.468 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 148.7 | 175 | 64.1 | -177.6 | -172.1 | -175.9 | 6.5 | 111.4 | Y35 E48 L50 | R33-Y35 HydrophobicContact CG-CD1 4.02Å; R33-Y35 HydrophobicContact CG-CE1 4.12Å; R33-Y35 PolarHBondContact NH2-OH 3.48Å; R33-Y35 VanDerWaalsContact NH2-OH 3.11Å; R33-E48 IonicContact CZ-OE1 2.68Å; R33-E48 IonicContact NE-OE1 3.06Å; R33-E48 PolarHBondContact NE-OE1 3.13Å; R33-E48 IonicContact NH2-OE1 3.47Å; R33-E48 PolarHBondContact NH2-OE1 2.85Å; R33-L50 HydrophobicContact CG-CB 4.08Å; R33-L50 PolarHBondContact N-O 3.49Å; R33-L50 PolarHBondContact O-N 3.31Å |
| 34 | V | 97.7 | Very high | 95.7 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 114.7 | 171.2 | 178 | 0 | 0 | 0 | 0 | 106.9 | L22 Q27 V29 L47 E48 I49 T57 I59 | L22-V34 HydrophobicContact CD1-CG1 4.36Å; Q27-V34 HydrophobicContact CG-CG1 4.37Å; Q27-V34 VanDerWaalsContact OE1-CG1 3.3Å; V29-V34 HydrophobicContact CG2-CB 4.23Å; V29-V34 HydrophobicContact CG2-CG2 3.72Å; V34-L47 HydrophobicContact CG1-CD1 3.91Å; V34-L47 HydrophobicContact CG1-CD2 3.92Å; V34-L47 HydrophobicContact CG1-CG 4.04Å; V34-E48 WeakPolarHBondContact CA-O 3.45Å; V34-I49 HydrophobicContact CG1-CG1 4.44Å; V34-I49 HydrophobicContact CG2-CB 4.48Å; V34-I49 HydrophobicContact CG2-CG1 4.47Å; V34-I49 HydrophobicContact CG2-CG2 3.88Å; V34-T57 HydrophobicContact CG2-CG2 3.93Å; V34-I59 HydrophobicContact CG1-CG2 4Å; V34-I59 HydrophobicContact CG2-CG2 4.44Å |
| 35 | Y | 96.5 | Very high | 95.9 | Very high | 80 Ų | 80 | 68.8 Ų | 68.8 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 154.7 | -178.9 | 76.1 | -71.7 | 0 | 0 | 0 | 111.9 | R33 M37 E48 | R33-Y35 HydrophobicContact CG-CD1 4.02Å; R33-Y35 HydrophobicContact CG-CE1 4.12Å; R33-Y35 PolarHBondContact NH2-OH 3.48Å; R33-Y35 VanDerWaalsContact NH2-OH 3.11Å; Y35-M37 HydrophobicContact CD2-CB 4.21Å; Y35-M37 HydrophobicContact CE2-CB 3.64Å; Y35-M37 HydrophobicContact CE2-CG 4.35Å; Y35-M37 HydrophobicContact CE2-SD 4.3Å; Y35-M37 PolarHBondContact OH-SD 2.83Å; Y35-E48 HydrophobicContact CD1-CB 4.3Å; Y35-E48 HydrophobicContact CE1-CB 3.86Å; Y35-E48 HydrophobicContact CE1-CG 4.11Å; Y35-E48 VanDerWaalsContact CE1-OE1 3.26Å; Y35-E48 WeakPolarHBondContact CE1-OE1 3.41Å; Y35-E48 PolarHBondContact N-O 2.95Å; Y35-E48 PolarHBondContact O-N 3.01Å; Y35-E48 PolarHBondContact OH-OE1 2.84Å; Y35-E48 VanDerWaalsContact OH-OE1 3.07Å |
| 36 | R | 97.6 | Very high | 95.9 | Very high | 111 Ų | 111 | 68.4 Ų | 68.4 | 42% | 0.419 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.6 | 176.6 | -173.4 | 170.5 | 66.6 | 179.2 | 0.1 | 109.6 | S16 G18 Y45 V46 | S16-R36 WeakPolarHBondContact O-CD 3.23Å; G18-R36 PolarHBondContact O-NH1 2.89Å; R36-Y45 HydrophobicContact CG-CD1 4.1Å; R36-Y45 HydrophobicContact CG-CG 4.38Å; R36-V46 CarbonylContact C-O 3.41Å; R36-V46 WeakPolarHBondContact CA-O 3.4Å |
| 37 | M | 96.6 | Very high | 96 | Very high | 34 Ų | 34 | 65.9 Ų | 65.9 | 17% | 0.167 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 166.9 | 177.9 | 69.3 | 177.5 | -64.3 | 0 | 0 | 111.3 | Y35 Y45 V46 E48 | Y35-M37 HydrophobicContact CD2-CB 4.21Å; Y35-M37 HydrophobicContact CE2-CB 3.64Å; Y35-M37 HydrophobicContact CE2-CG 4.35Å; Y35-M37 HydrophobicContact CE2-SD 4.3Å; Y35-M37 PolarHBondContact OH-SD 2.83Å; M37-Y45 CarbonylContact O-C 3.54Å; M37-Y45 VanDerWaalsContact O-CA 3.28Å; M37-Y45 WeakPolarHBondContact O-CA 3.49Å; M37-V46 HydrophobicContact CG-CG2 3.7Å; M37-V46 PolarHBondContact N-O 2.78Å; M37-V46 PolarHBondContact O-N 2.61Å; M37-E48 HydrophobicContact CG-CB 4.23Å; M37-E48 HydrophobicContact SD-CB 3.79Å; M37-E48 HydrophobicContact SD-CG 4.3Å; M37-E48 VanDerWaalsContact SD-OE2 3.38Å |
| 38 | T | 97.3 | Very high | 96 | Very high | 75 Ų | 75 | 61.6 Ų | 61.6 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120.5 | 168.5 | -54.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 39 | D | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.1 | 170.7 | -175 | -93.8 | 0 | 0 | 0 | 109.5 | E41 I42 Q43 S44 V46 K81 W129 R161 | D39-E41 VanDerWaalsContact C-N 3.32Å; D39-E41 PolarHBondContact O-N 3.42Å; D39-E41 VanDerWaalsContact OD1-CB 3.31Å; D39-E41 WeakPolarHBondContact OD1-CB 3.47Å; D39-E41 PolarHBondContact OD1-N 2.92Å; D39-I42 HydrophobicContact CB-CD1 4.48Å; D39-I42 HydrophobicContact CB-CG1 3.82Å; D39-I42 PolarHBondContact OD1-N 3.13Å; D39-Q43 WeakPolarHBondContact O-CA 3.33Å; D39-Q43 PolarHBondContact O-N 3.29Å; D39-S44 PolarHBondContact N-O 3.47Å; D39-S44 PolarHBondContact O-N 3.47Å; D39-V46 HydrophobicContact CB-CB 4.46Å; D39-V46 HydrophobicContact CB-CG1 3.73Å; D39-V46 HydrophobicContact CB-CG2 3.82Å; D39-K81 IonicContact OD1-NZ 2.71Å; D39-K81 PolarHBondContact OD1-NZ 2.98Å; D39-K81 WeakPolarHBondContact OD2-CD 3.39Å; D39-K81 IonicContact OD2-NZ 3.52Å; D39-K81 PolarHBondContact OD2-NZ 2.98Å; D39-W129 HydrophobicContact CB-CZ2 4.3Å; D39-R161 VanDerWaalsContact OD2-CD 3.27Å; D39-R161 WeakPolarHBondContact OD2-CD 3.32Å; D39-R161 IonicContact OD2-CZ 3.35Å; D39-R161 IonicContact OD2-NE 3.67Å; D39-R161 IonicContact OD2-NH1 3.08Å; D39-R161 PolarHBondContact OD2-NH1 2.8Å |
| 40 | E | 94 | Very high | 96.1 | Very high | 153 Ų | 153 | 56 Ų | 56 | 72% | 0.715 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32.6 | -174.7 | -66.5 | 153.9 | -170.6 | 0 | 0 | 112.6 | ||
| 41 | E | 92.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -40.9 | -173.7 | -172.4 | -174.4 | 176.8 | 0 | 0 | 111.7 | D39 K81 L185 P186 | D39-E41 VanDerWaalsContact C-N 3.32Å; D39-E41 PolarHBondContact O-N 3.42Å; D39-E41 VanDerWaalsContact OD1-CB 3.31Å; D39-E41 WeakPolarHBondContact OD1-CB 3.47Å; D39-E41 PolarHBondContact OD1-N 2.92Å; E41-K81 VanDerWaalsContact OE2-CE 3.3Å; E41-K81 WeakPolarHBondContact OE2-CE 3.43Å; E41-K81 IonicContact OE2-NZ 3.19Å; E41-K81 PolarHBondContact OE2-NZ 3.33Å; E41-L185 HydrophobicContact CG-CD2 3.78Å; E41-P186 WeakPolarHBondContact O-CD 3.21Å |
| 42 | I | 94.1 | Very high | 96 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.8 | 177.1 | 62.4 | 161.9 | 0 | 0 | 0 | 113.4 | D39 S44 V46 W129 L183 L185 | D39-I42 HydrophobicContact CB-CD1 4.48Å; D39-I42 HydrophobicContact CB-CG1 3.82Å; D39-I42 PolarHBondContact OD1-N 3.13Å; I42-S44 PolarHBondContact O-N 3Å; I42-S44 VanDerWaalsContact O-N 3.09Å; I42-V46 HydrophobicContact CD1-CG1 3.74Å; I42-V46 HydrophobicContact CG1-CG1 4.47Å; I42-W129 HydrophobicContact CD1-CH2 3.96Å; I42-W129 HydrophobicContact CD1-CZ2 3.52Å; I42-W129 HydrophobicContact CG1-CZ2 3.83Å; I42-W129 HydrophobicContact CG2-CD2 4.43Å; I42-W129 HydrophobicContact CG2-CZ2 4.2Å; I42-W129 VanDerWaalsContact CG2-NE1 3.31Å; I42-L183 HydrophobicContact CD1-CD1 4.2Å; I42-L183 HydrophobicContact CG2-CD1 4.06Å; I42-L183 HydrophobicContact CG2-CD2 4.39Å; I42-L183 HydrophobicContact CG2-CG 4.29Å; I42-L185 HydrophobicContact CG2-CD2 3.8Å |
| 43 | Q | 94 | Very high | 95.8 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 40.8 | -175.9 | -66.9 | -176.2 | -32.2 | 0 | 0 | 113.5 | D39 P186 | D39-Q43 WeakPolarHBondContact O-CA 3.33Å; D39-Q43 PolarHBondContact O-N 3.29Å; Q43-P186 HydrophobicContact CB-CG 3.94Å; Q43-P186 HydrophobicContact CG-CG 3.74Å |
| 44 | S | 94.4 | Very high | 95.5 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 161.8 | -174.2 | -157.6 | 0 | 0 | 0 | 0 | 111.6 | D39 I42 V46 R163 | D39-S44 PolarHBondContact N-O 3.47Å; D39-S44 PolarHBondContact O-N 3.47Å; I42-S44 PolarHBondContact O-N 3Å; I42-S44 VanDerWaalsContact O-N 3.09Å; S44-V46 PolarHBondContact O-N 3.21Å; S44-R163 PolarHBondContact OG-NH1 2.71Å; S44-R163 PolarHBondContact OG-NH2 2.73Å |
| 45 | Y | 96.8 | Very high | 95.1 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 137.1 | 178.5 | -69.1 | -60.1 | 0 | 0 | 0 | 111.7 | S16 R36 M37 R163 | S16-Y45 WeakPolarHBondContact CB-O 3.13Å; S16-Y45 PolarHBondContact OG-O 2.95Å; R36-Y45 HydrophobicContact CG-CD1 4.1Å; R36-Y45 HydrophobicContact CG-CG 4.38Å; M37-Y45 CarbonylContact O-C 3.54Å; M37-Y45 VanDerWaalsContact O-CA 3.28Å; M37-Y45 WeakPolarHBondContact O-CA 3.49Å; Y45-R163 PolarHBondContact O-NH1 2.8Å |
| 46 | V | 98 | Very high | 95 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 158.4 | 172.7 | -58.7 | 0 | 0 | 0 | 0 | 108.4 | R36 M37 D39 I42 S44 W129 R161 | R36-V46 CarbonylContact C-O 3.41Å; R36-V46 WeakPolarHBondContact CA-O 3.4Å; M37-V46 HydrophobicContact CG-CG2 3.7Å; M37-V46 PolarHBondContact N-O 2.78Å; M37-V46 PolarHBondContact O-N 2.61Å; D39-V46 HydrophobicContact CB-CB 4.46Å; D39-V46 HydrophobicContact CB-CG1 3.73Å; D39-V46 HydrophobicContact CB-CG2 3.82Å; I42-V46 HydrophobicContact CD1-CG1 3.74Å; I42-V46 HydrophobicContact CG1-CG1 4.47Å; S44-V46 PolarHBondContact O-N 3.21Å; V46-W129 HydrophobicContact CB-CH2 4.46Å; V46-W129 HydrophobicContact CG1-CH2 3.53Å; V46-W129 HydrophobicContact CG1-CZ2 3.83Å; V46-R161 HydrophobicContact CB-CB 4.18Å; V46-R161 HydrophobicContact CG2-CB 3.92Å; V46-R161 HydrophobicContact CG2-CG 4.1Å |
| 47 | L | 98.3 | Very high | 95 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 114.4 | 168.3 | -174.2 | 82.9 | 0 | 0 | 0 | 108.8 | F14 L22 V34 I49 I59 R161 L162 | F14-L47 HydrophobicContact CE2-CB 4.16Å; F14-L47 HydrophobicContact CE2-CD2 3.91Å; F14-L47 HydrophobicContact CZ-CB 3.56Å; F14-L47 HydrophobicContact CZ-CD2 4.09Å; F14-L47 HydrophobicContact CZ-CG 4.43Å; L22-L47 HydrophobicContact CD1-CD1 3.97Å; L22-L47 HydrophobicContact CD1-CD2 4.38Å; L22-L47 HydrophobicContact CD2-CD2 3.79Å; L22-L47 HydrophobicContact CG-CD1 4.47Å; L22-L47 HydrophobicContact CG-CD2 4.44Å; V34-L47 HydrophobicContact CG1-CD1 3.91Å; V34-L47 HydrophobicContact CG1-CD2 3.92Å; V34-L47 HydrophobicContact CG1-CG 4.04Å; L47-I49 HydrophobicContact CD2-CD1 4.19Å; L47-I49 HydrophobicContact CD2-CG1 4.04Å; L47-I49 HydrophobicContact CG-CG1 4.33Å; L47-I59 HydrophobicContact CD2-CD1 3.91Å; L47-I59 HydrophobicContact CD2-CG2 4.49Å; L47-R161 CarbonylContact O-C 3.53Å; L47-R161 WeakPolarHBondContact O-CA 3.3Å; L47-L162 HydrophobicContact CB-CB 4.43Å; L47-L162 PolarHBondContact N-O 2.86Å; L47-L162 PolarHBondContact O-N 3.37Å |
| 48 | E | 98.2 | Very high | 95 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 124.8 | 172.6 | -175 | 171.7 | 96.3 | 0 | 0 | 109.3 | R33 V34 Y35 M37 L50 R161 | R33-E48 IonicContact CZ-OE1 2.68Å; R33-E48 IonicContact NE-OE1 3.06Å; R33-E48 PolarHBondContact NE-OE1 3.13Å; R33-E48 IonicContact NH2-OE1 3.47Å; R33-E48 PolarHBondContact NH2-OE1 2.85Å; V34-E48 WeakPolarHBondContact CA-O 3.45Å; Y35-E48 HydrophobicContact CD1-CB 4.3Å; Y35-E48 HydrophobicContact CE1-CB 3.86Å; Y35-E48 HydrophobicContact CE1-CG 4.11Å; Y35-E48 VanDerWaalsContact CE1-OE1 3.26Å; Y35-E48 WeakPolarHBondContact CE1-OE1 3.41Å; Y35-E48 PolarHBondContact N-O 2.95Å; Y35-E48 PolarHBondContact O-N 3.01Å; Y35-E48 PolarHBondContact OH-OE1 2.84Å; Y35-E48 VanDerWaalsContact OH-OE1 3.07Å; M37-E48 HydrophobicContact CG-CB 4.23Å; M37-E48 HydrophobicContact SD-CB 3.79Å; M37-E48 HydrophobicContact SD-CG 4.3Å; M37-E48 VanDerWaalsContact SD-OE2 3.38Å; E48-L50 HydrophobicContact CG-CD1 4.07Å; E48-L50 HydrophobicContact CG-CG 3.81Å; E48-L50 WeakPolarHBondContact OE1-CD1 3.38Å; E48-R161 HydrophobicContact CB-CG 4.1Å; E48-R161 HydrophobicContact CG-CG 4.11Å; E48-R161 IonicContact OE2-CZ 3.16Å; E48-R161 IonicContact OE2-NE 3.44Å; E48-R161 PolarHBondContact OE2-NE 2.85Å; E48-R161 IonicContact OE2-NH2 3.81Å; E48-R161 PolarHBondContact OE2-NH2 2.9Å; E48-R161 VanDerWaalsContact OE2-NH2 3.08Å |
| 49 | I | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116.3 | 174.7 | -49.1 | 176.3 | 0 | 0 | 0 | 105.9 | V34 L47 T57 I59 I156 A158 N159 C160 | V34-I49 HydrophobicContact CG1-CG1 4.44Å; V34-I49 HydrophobicContact CG2-CB 4.48Å; V34-I49 HydrophobicContact CG2-CG1 4.47Å; V34-I49 HydrophobicContact CG2-CG2 3.88Å; L47-I49 HydrophobicContact CD2-CD1 4.19Å; L47-I49 HydrophobicContact CD2-CG1 4.04Å; L47-I49 HydrophobicContact CG-CG1 4.33Å; I49-T57 HydrophobicContact CG2-CG2 4.04Å; I49-I59 HydrophobicContact CD1-CD1 3.91Å; I49-I59 HydrophobicContact CD1-CG1 3.87Å; I49-I59 HydrophobicContact CD1-CG2 4.26Å; I49-I156 HydrophobicContact CD1-CG2 4.14Å; I49-A158 VanDerWaalsContact CG2-CA 3.48Å; I49-A158 HydrophobicContact CG2-CB 4Å; I49-N159 VanDerWaalsContact O-CA 3.29Å; I49-N159 WeakPolarHBondContact O-CA 3.21Å; I49-N159 PolarHBondContact O-N 2.92Å; I49-C160 PolarHBondContact N-O 3.44Å; I49-C160 PolarHBondContact O-N 3.1Å |
| 50 | L | 97.2 | Very high | 95.1 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.8 | -179.7 | -74.9 | -179.6 | 0 | 0 | 0 | 110.7 | G32 R33 E48 T57 L83 | G32-L50 CarbonylContact C-O 3.59Å; G32-L50 WeakPolarHBondContact CA-O 3.38Å; R33-L50 HydrophobicContact CG-CB 4.08Å; R33-L50 PolarHBondContact N-O 3.49Å; R33-L50 PolarHBondContact O-N 3.31Å; E48-L50 HydrophobicContact CG-CD1 4.07Å; E48-L50 HydrophobicContact CG-CG 3.81Å; E48-L50 WeakPolarHBondContact OE1-CD1 3.38Å; L50-T57 WeakPolarHBondContact O-CG2 3.36Å; L50-L83 HydrophobicContact CD2-CD1 3.64Å |
| 51 | G | 94.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 148.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N53 N159 | G51-N53 VanDerWaalsContact C-N 3.3Å; G51-N159 PolarHBondContact N-OD1 2.98Å; G51-N159 PolarHBondContact O-OD1 2.86Å |
| 52 | Q | 91.4 | Very high | 95.5 | Very high | 162 Ų | 162 | 37.4 Ų | 37.4 | 76% | 0.757 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -67.3 | -35.2 | 175.8 | -64.2 | -174.2 | 12.3 | 0 | 0 | 111.6 | N31 | N31-Q52 PolarHBondContact ND2-NE2 2.85Å; N31-Q52 PolarHBondContact ND2-OE1 2.78Å; N31-Q52 VanDerWaalsContact ND2-OE1 3.1Å; N31-Q52 PolarHBondContact O-N 3.25Å |
| 53 | N | 90.5 | Very high | 95.5 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 40% | 0.401 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -117.5 | 124.9 | 172.1 | -177.8 | -16.1 | 0 | 0 | 0 | 109.2 | G51 S55 T56 | G51-N53 VanDerWaalsContact C-N 3.3Å; N53-S55 PolarHBondContact ND2-OG 2.92Å; N53-S55 PolarHBondContact O-N 3.27Å; N53-S55 PolarHBondContact OD1-N 3.03Å; N53-S55 PolarHBondContact OD1-OG 3.48Å; N53-T56 HydrophobicContact CB-CG2 3.91Å; N53-T56 PolarHBondContact O-N 3.44Å; N53-T56 VanDerWaalsContact O-N 3.13Å; N53-T56 PolarHBondContact O-OG1 2.84Å |
| 54 | I | 89.6 | Confident | 95.2 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 16% | 0.164 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.4 | -178.9 | 57.5 | 175.2 | 0 | 0 | 0 | 112.9 | T56 Y86 H157 N159 | I54-T56 VanDerWaalsContact C-N 3.3Å; I54-T56 PolarHBondContact O-N 3.13Å; I54-Y86 WeakPolarHBondContact CG2-O 3.49Å; I54-H157 HydrophobicContact CB-CB 4.46Å; I54-H157 WeakPolarHBondContact O-CB 3.49Å; I54-H157 PolarHBondContact O-CD2 2.62Å; I54-H157 VanDerWaalsContact O-CD2 3.28Å; I54-N159 WeakPolarHBondContact CG2-ND2 3.15Å |
| 55 | S | 89.5 | Confident | 94.7 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 48% | 0.483 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.5 | -178.4 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | N53 | N53-S55 PolarHBondContact ND2-OG 2.92Å; N53-S55 PolarHBondContact O-N 3.27Å; N53-S55 PolarHBondContact OD1-N 3.03Å; N53-S55 PolarHBondContact OD1-OG 3.48Å |
| 56 | T | 94.5 | Very high | 94.1 | Very high | 42 Ų | 42 | 45.3 Ų | 45.3 | 26% | 0.258 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -10.7 | -173.5 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | C30 N53 I54 | C30-T56 WeakPolarHBondContact CB-O 3.11Å; C30-T56 PolarHBondContact N-O 3.01Å; C30-T56 PolarHBondContact O-OG1 3.28Å; N53-T56 HydrophobicContact CB-CG2 3.91Å; N53-T56 PolarHBondContact O-N 3.44Å; N53-T56 VanDerWaalsContact O-N 3.13Å; N53-T56 PolarHBondContact O-OG1 2.84Å; I54-T56 VanDerWaalsContact C-N 3.3Å; I54-T56 PolarHBondContact O-N 3.13Å |
| 57 | T | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 115.8 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | H28 V29 C30 V34 I49 L50 A158 | H28-T57 CarbonylContact O-C 3.47Å; H28-T57 VanDerWaalsContact O-CA 3.24Å; H28-T57 WeakPolarHBondContact O-CA 3.3Å; V29-T57 HydrophobicContact CB-CG2 4.47Å; V29-T57 HydrophobicContact CG1-CG2 4.12Å; V29-T57 HydrophobicContact CG2-CG2 4.32Å; C30-T57 PolarHBondContact N-OG1 2.99Å; C30-T57 PolarHBondContact O-OG1 2.84Å; V34-T57 HydrophobicContact CG2-CG2 3.93Å; I49-T57 HydrophobicContact CG2-CG2 4.04Å; L50-T57 WeakPolarHBondContact O-CG2 3.36Å; T57-A158 HydrophobicContact CG2-CB 4.32Å; T57-A158 VanDerWaalsContact O-CB 3.3Å; T57-A158 WeakPolarHBondContact O-CB 3.38Å; T57-A158 PolarHBondContact O-N 2.82Å |
| 58 | Y | 98 | Very high | 93.4 | Very high | 64 Ų | 64 | 56.7 Ų | 56.7 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 163.6 | -176.7 | 58.6 | -90 | 0 | 0 | 0 | 112.3 | H28 T60 I156 H157 | H28-Y58 HydrophobicContact CB-CD1 4.13Å; H28-Y58 HydrophobicContact CB-CD2 4.11Å; H28-Y58 HydrophobicContact CB-CE1 3.81Å; H28-Y58 HydrophobicContact CB-CE2 3.8Å; H28-Y58 HydrophobicContact CB-CG 4.27Å; H28-Y58 AromaticContact CD2-CD2 3.77Å; H28-Y58 AromaticContact CD2-CE2 3.15Å; H28-Y58 WeakPolarHBondContact CD2-CE2 3.25Å; H28-Y58 AromaticContact CD2-CZ 3.67Å; H28-Y58 AromaticContact CG-CE2 3.58Å; H28-Y58 AromaticContact CG-CZ 3.61Å; H28-Y58 PolarHBondContact N-O 2.77Å; H28-Y58 AromaticContact NE2-CE2 3.98Å; H28-Y58 PolarHBondContact O-N 3.24Å; H28-Y58 VanDerWaalsContact O-O 3.13Å; Y58-T60 WeakPolarHBondContact CD2-OG1 3.28Å; Y58-T60 WeakPolarHBondContact CE2-OG1 3.46Å; Y58-I156 VanDerWaalsContact CA-O 3.26Å; Y58-I156 WeakPolarHBondContact CA-O 3.49Å; Y58-I156 VanDerWaalsContact CB-O 3.28Å; Y58-I156 WeakPolarHBondContact CB-O 3.3Å; Y58-H157 AromaticContact CG-CD2 3.99Å |
| 59 | I | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 146.7 | 168.3 | 62.1 | 172.2 | 0 | 0 | 0 | 110.1 | L22 W25 D26 Q27 V34 L47 I49 S155 I156 L162 | L22-I59 HydrophobicContact CD2-CD1 4.16Å; L22-I59 HydrophobicContact CD2-CG2 4.38Å; W25-I59 HydrophobicContact CD2-CD1 4Å; W25-I59 HydrophobicContact CD2-CG1 4.42Å; W25-I59 HydrophobicContact CE3-CB 3.81Å; W25-I59 HydrophobicContact CE3-CD1 3.49Å; W25-I59 VanDerWaalsContact CE3-CD1 3.49Å; W25-I59 HydrophobicContact CE3-CG1 3.5Å; W25-I59 VanDerWaalsContact CE3-CG1 3.5Å; W25-I59 HydrophobicContact CH2-CD1 4.42Å; W25-I59 HydrophobicContact CZ3-CB 4.44Å; W25-I59 HydrophobicContact CZ3-CD1 3.74Å; W25-I59 HydrophobicContact CZ3-CG1 3.69Å; D26-I59 CarbonylContact O-C 3.55Å; D26-I59 WeakPolarHBondContact O-CA 3.42Å; Q27-I59 HydrophobicContact CG-CG2 4.05Å; V34-I59 HydrophobicContact CG1-CG2 4Å; V34-I59 HydrophobicContact CG2-CG2 4.44Å; L47-I59 HydrophobicContact CD2-CD1 3.91Å; L47-I59 HydrophobicContact CD2-CG2 4.49Å; I49-I59 HydrophobicContact CD1-CD1 3.91Å; I49-I59 HydrophobicContact CD1-CG1 3.87Å; I49-I59 HydrophobicContact CD1-CG2 4.26Å; I59-S155 CarbonylContact O-C 3.53Å; I59-S155 VanDerWaalsContact O-CA 3.25Å; I59-S155 WeakPolarHBondContact O-CA 3.29Å; I59-I156 HydrophobicContact CG1-CB 4.04Å; I59-I156 PolarHBondContact N-O 2.62Å; I59-I156 PolarHBondContact O-N 3.19Å; I59-L162 HydrophobicContact CD1-CD2 3.87Å |
| 60 | T | 98 | Very high | 93.1 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 135.4 | -178.5 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | W25 D26 Y58 K153 L154 S155 | W25-T60 CarbonylContact C-O 3.49Å; W25-T60 WeakPolarHBondContact CA-O 3.43Å; D26-T60 PolarHBondContact N-O 2.79Å; D26-T60 PolarHBondContact O-N 2.73Å; Y58-T60 WeakPolarHBondContact CD2-OG1 3.28Å; Y58-T60 WeakPolarHBondContact CE2-OG1 3.46Å; T60-K153 HydrophobicContact CG2-CD 3.66Å; T60-K153 HydrophobicContact CG2-CG 3.68Å; T60-L154 CarbonylContact C-O 3.49Å; T60-L154 WeakPolarHBondContact CA-O 3.41Å; T60-S155 PolarHBondContact OG1-OG 3.04Å |
| 61 | C | 98 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133 | 175.3 | -162.7 | 0 | 0 | 0 | 0 | 110.1 | M24 W25 L69 K153 L154 | M24-C61 PolarHBondContact O-SG 2.99Å; M24-C61 VanDerWaalsContact O-SG 3.32Å; W25-C61 HydrophobicContact CD2-CB 3.58Å; W25-C61 HydrophobicContact CE3-CB 3.6Å; W25-C61 HydrophobicContact CG-CB 4.28Å; W25-C61 HydrophobicContact CH2-CB 3.77Å; W25-C61 HydrophobicContact CZ2-CB 3.71Å; W25-C61 HydrophobicContact CZ3-CB 3.7Å; C61-L69 HydrophobicContact CB-CD1 4.26Å; C61-K153 CarbonylContact O-C 3.54Å; C61-K153 VanDerWaalsContact O-CA 3.3Å; C61-K153 WeakPolarHBondContact O-CA 3.16Å; C61-K153 WeakPolarHBondContact O-CG 3.27Å; C61-L154 PolarHBondContact N-O 2.85Å; C61-L154 PolarHBondContact O-N 2.87Å |
| 62 | P | 97.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | S | Bend | cis | -78.1 | 165.8 | -0.7 | 38.1 | -35.1 | 0 | 0 | 0 | 111.4 | M24 K66 L69 | M24-P62 CarbonylContact O-C 3.51Å; M24-P62 WeakPolarHBondContact O-CA 3.21Å; P62-K66 HydrophobicContact CB-CB 3.83Å; P62-K66 HydrophobicContact CG-CB 3.98Å; P62-L69 HydrophobicContact CB-CG 4.47Å |
| 63 | N | 93.4 | Very high | 93.5 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | trans | -62.8 | 163.9 | 168.4 | 66.3 | 32.8 | 0 | 0 | 0 | 111.9 | E23 M24 D26 K65 K66 | E23-N63 PolarHBondContact O-ND2 3.23Å; M24-N63 PolarHBondContact O-N 2.84Å; D26-N63 WeakPolarHBondContact OD1-CB 3.45Å; D26-N63 WeakPolarHBondContact OD2-CA 3.08Å; N63-K65 PolarHBondContact O-N 2.95Å; N63-K65 WeakPolarHBondContact OD1-CB 3.42Å; N63-K65 PolarHBondContact OD1-N 2.92Å; N63-K66 PolarHBondContact O-N 3.43Å; N63-K66 VanDerWaalsContact O-O 3.08Å | ||
| 64 | A | 86.8 | Confident | 93.8 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 73% | 0.727 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -18.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D26 K66 | D26-A64 WeakPolarHBondContact OD2-CB 3.27Å; D26-A64 PolarHBondContact OD2-N 2.96Å; A64-K66 VanDerWaalsContact C-N 3.25Å; A64-K66 PolarHBondContact O-N 3.02Å |
| 65 | K | 84.9 | Confident | 94.2 | Very high | 193 Ų | 193 | 57.1 Ų | 57.1 | 84% | 0.839 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24 | 176.3 | -57.5 | 179.4 | 179.2 | 177.7 | 0 | 112.4 | N63 | N63-K65 PolarHBondContact O-N 2.95Å; N63-K65 WeakPolarHBondContact OD1-CB 3.42Å; N63-K65 PolarHBondContact OD1-N 2.92Å |
| 66 | K | 84 | Confident | 94.6 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 58% | 0.578 | 28% | 0.276 | S | S | * | . | trans | -116.4 | 142 | 178.2 | -66.8 | -176.4 | 178.2 | -177.1 | 0 | 110.4 | P62 N63 A64 | P62-K66 HydrophobicContact CB-CB 3.83Å; P62-K66 HydrophobicContact CG-CB 3.98Å; N63-K66 PolarHBondContact O-N 3.43Å; N63-K66 VanDerWaalsContact O-O 3.08Å; A64-K66 VanDerWaalsContact C-N 3.25Å; A64-K66 PolarHBondContact O-N 3.02Å | ||
| 67 | K | 86.2 | Confident | 94.7 | Very high | 207 Ų | 207 | 52 Ų | 52 | 90% | 0.9 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -85.3 | -25.7 | -178.9 | -66.4 | -175.4 | 179.1 | 179.4 | 0 | 113.9 | ||
| 68 | S | 94.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 52 Ų | 52 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | trans | -148.5 | 146 | -176.1 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | A70 E150 V152 | S68-A70 VanDerWaalsContact C-N 3.33Å; S68-A70 PolarHBondContact OG-N 3Å; S68-A70 VanDerWaalsContact OG-N 3.13Å; S68-E150 PolarHBondContact OG-OE1 3.43Å; S68-V152 WeakPolarHBondContact CA-O 3.27Å | ||
| 69 | L | 94.9 | Very high | 94.7 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | trans | -68.9 | -32.7 | 166.2 | -98.5 | 171 | 0 | 0 | 0 | 111.7 | V13 C61 P62 V71 T151 V152 L154 | V13-L69 HydrophobicContact CG1-CD2 4.11Å; C61-L69 HydrophobicContact CB-CD1 4.26Å; P62-L69 HydrophobicContact CB-CG 4.47Å; L69-V71 HydrophobicContact CB-CG2 4.08Å; L69-V71 HydrophobicContact CD2-CG2 4.2Å; L69-V71 PolarHBondContact O-N 3.46Å; L69-T151 WeakPolarHBondContact CB-O 3.46Å; L69-T151 HydrophobicContact CD1-CG2 4.15Å; L69-V152 PolarHBondContact N-O 2.9Å; L69-L154 HydrophobicContact CD1-CB 4.21Å | ||
| 70 | A | 95.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 45% | 0.446 | 26% | 0.256 | S | S | . | . | trans | 50.9 | 36.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S68 E150 T151 | S68-A70 VanDerWaalsContact C-N 3.33Å; S68-A70 PolarHBondContact OG-N 3Å; S68-A70 VanDerWaalsContact OG-N 3.13Å; A70-E150 WeakPolarHBondContact CA-OE2 3.4Å; A70-T151 PolarHBondContact N-O 2.92Å; A70-T151 VanDerWaalsContact N-O 3.08Å | ||
| 71 | V | 97 | Very high | 94.7 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 118.5 | -177.1 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | L11 L69 M73 Y148 E150 T151 F167 | L11-V71 HydrophobicContact CD2-CB 4.27Å; L11-V71 HydrophobicContact CD2-CG1 3.85Å; L11-V71 HydrophobicContact CD2-CG2 3.45Å; L11-V71 VanDerWaalsContact CD2-CG2 3.45Å; L69-V71 HydrophobicContact CB-CG2 4.08Å; L69-V71 HydrophobicContact CD2-CG2 4.2Å; L69-V71 PolarHBondContact O-N 3.46Å; V71-M73 HydrophobicContact CG1-CB 3.97Å; V71-Y148 PolarHBondContact O-OH 3.09Å; V71-E150 CarbonylContact O-C 3.55Å; V71-E150 WeakPolarHBondContact O-CA 2.95Å; V71-T151 PolarHBondContact N-O 2.95Å; V71-T151 PolarHBondContact O-N 3.07Å; V71-F167 HydrophobicContact CG1-CB 3.79Å; V71-F167 HydrophobicContact CG1-CD1 3.79Å; V71-F167 HydrophobicContact CG1-CD2 3.92Å; V71-F167 HydrophobicContact CG1-CE1 4.32Å; V71-F167 HydrophobicContact CG1-CE2 4.45Å; V71-F167 HydrophobicContact CG1-CG 3.57Å; V71-F167 HydrophobicContact CG2-CD2 4.48Å |
| 72 | K | 97.5 | Very high | 94.5 | Very high | 158 Ų | 158 | 51.2 Ų | 51.2 | 69% | 0.687 | 26% | 0.264 | S | S | * | . | trans | -89.9 | -10.3 | -179.9 | -59.9 | -176 | 178.6 | -177.4 | 0 | 114.4 | ||||
| 73 | M | 97.2 | Very high | 94.5 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 20% | 0.202 | 27% | 0.271 | C | S | . | . | trans | -66.9 | 126.6 | 174.9 | -74.4 | 174.9 | -173.2 | 0 | 0 | 109.3 | N8 L11 V71 Y148 F167 C168 | N8-M73 WeakPolarHBondContact O-CE 3.12Å; L11-M73 HydrophobicContact CB-CE 4.2Å; L11-M73 HydrophobicContact CB-SD 3.66Å; V71-M73 HydrophobicContact CG1-CB 3.97Å; M73-Y148 PolarHBondContact O-OH 2.9Å; M73-F167 HydrophobicContact CB-CB 3.66Å; M73-F167 HydrophobicContact SD-CB 4.14Å; M73-C168 WeakPolarHBondContact CB-O 3.18Å | ||
| 74 | P | 97.5 | Very high | 94.5 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | trans | -83.4 | -22 | -169.5 | 31.5 | -35.8 | 0 | 0 | 0 | 114 | L136 A137 Y148 C168 D169 | P74-L136 VanDerWaalsContact O-CB 3.23Å; P74-L136 WeakPolarHBondContact O-CB 3.43Å; P74-L136 WeakPolarHBondContact O-CG 3.48Å; P74-L136 PolarHBondContact O-N 3.12Å; P74-A137 HydrophobicContact CB-CB 3.77Å; P74-Y148 HydrophobicContact CB-CD1 4.24Å; P74-Y148 HydrophobicContact CB-CE1 4.18Å; P74-C168 WeakPolarHBondContact CD-O 3.34Å; P74-D169 WeakPolarHBondContact CG-O 3.32Å | ||
| 75 | I | 97.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 116.3 | -175.9 | -51.4 | -50.9 | 0 | 0 | 0 | 109.1 | V77 D135 F167 C168 I171 | I75-V77 HydrophobicContact CG2-CG2 4.01Å; I75-D135 HydrophobicContact CD1-CB 3.72Å; I75-D135 VanDerWaalsContact CD1-CG 3.46Å; I75-F167 CarbonylContact O-C 3.54Å; I75-F167 WeakPolarHBondContact O-CA 3.49Å; I75-C168 WeakPolarHBondContact CB-O 3.28Å; I75-C168 PolarHBondContact N-O 3.17Å; I75-C168 VanDerWaalsContact N-O 3.15Å; I75-C168 PolarHBondContact O-N 3.04Å; I75-I171 HydrophobicContact CD1-CG1 4.07Å; I75-I171 HydrophobicContact CG1-CG1 4.16Å; I75-I171 HydrophobicContact CG2-CG1 4.07Å |
| 76 | L | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.9 | 168.2 | 168.1 | 65.2 | 0 | 0 | 0 | 109.2 | I78 F89 V91 F134 L136 L154 V165 F167 | L76-I78 HydrophobicContact CD1-CG1 4.18Å; L76-I78 HydrophobicContact CD2-CD1 4.19Å; L76-I78 HydrophobicContact CD2-CG1 4.37Å; L76-I78 HydrophobicContact CG-CD1 4.46Å; L76-I78 HydrophobicContact CG-CG1 4.1Å; L76-F89 HydrophobicContact CD2-CE2 4.28Å; L76-V91 HydrophobicContact CD2-CG2 3.55Å; L76-F134 HydrophobicContact CB-CB 4.24Å; L76-F134 PolarHBondContact N-O 3.24Å; L76-F134 PolarHBondContact O-N 3.25Å; L76-L136 HydrophobicContact CB-CD1 4.19Å; L76-L154 HydrophobicContact CD1-CD2 4.04Å; L76-L154 HydrophobicContact CD2-CD1 3.93Å; L76-V165 HydrophobicContact CD1-CG1 3.69Å; L76-F167 HydrophobicContact CB-CD1 4.12Å; L76-F167 HydrophobicContact CB-CE1 3.92Å; L76-F167 HydrophobicContact CD1-CD1 4.37Å; L76-F167 HydrophobicContact CD1-CE1 3.93Å; L76-F167 HydrophobicContact CD1-CE2 4.14Å; L76-F167 HydrophobicContact CD1-CZ 3.8Å; L76-F167 HydrophobicContact CG-CE1 4.41Å |
| 77 | V | 97 | Very high | 96 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.9 | 173.8 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | I75 Q131 V132 Q133 V165 Y166 | I75-V77 HydrophobicContact CG2-CG2 4.01Å; V77-Q131 HydrophobicContact CG1-CG 3.64Å; V77-V132 WeakPolarHBondContact CA-O 3.22Å; V77-Q133 HydrophobicContact CG1-CG 4.41Å; V77-Q133 HydrophobicContact CG2-CG 4.28Å; V77-V165 WeakPolarHBondContact O-CA 3.41Å; V77-Y166 HydrophobicContact CB-CD1 4.03Å; V77-Y166 HydrophobicContact CB-CD2 4.2Å; V77-Y166 HydrophobicContact CB-CE1 3.59Å; V77-Y166 HydrophobicContact CB-CE2 3.76Å; V77-Y166 HydrophobicContact CB-CG 4.34Å; V77-Y166 VanDerWaalsContact CB-CZ 3.45Å; V77-Y166 HydrophobicContact CG1-CD1 4.38Å; V77-Y166 HydrophobicContact CG1-CE1 3.56Å; V77-Y166 HydrophobicContact CG1-CE2 4.35Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.34Å; V77-Y166 HydrophobicContact CG2-CD2 4.36Å; V77-Y166 HydrophobicContact CG2-CE1 4.39Å; V77-Y166 HydrophobicContact CG2-CE2 3.7Å; V77-Y166 PolarHBondContact N-O 2.99Å; V77-Y166 PolarHBondContact O-N 3.21Å |
| 78 | I | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117 | 177.6 | -48.2 | 178.7 | 0 | 0 | 0 | 108.4 | L76 L80 F89 V132 I156 L162 V165 | L76-I78 HydrophobicContact CD1-CG1 4.18Å; L76-I78 HydrophobicContact CD2-CD1 4.19Å; L76-I78 HydrophobicContact CD2-CG1 4.37Å; L76-I78 HydrophobicContact CG-CD1 4.46Å; L76-I78 HydrophobicContact CG-CG1 4.1Å; I78-L80 HydrophobicContact CB-CD2 4.32Å; I78-L80 HydrophobicContact CG2-CB 4.36Å; I78-L80 HydrophobicContact CG2-CD2 3.62Å; I78-L80 HydrophobicContact CG2-CG 4.5Å; I78-F89 HydrophobicContact CD1-CB 4.4Å; I78-F89 HydrophobicContact CD1-CD1 4.03Å; I78-F89 HydrophobicContact CD1-CD2 3.95Å; I78-F89 HydrophobicContact CD1-CE1 4.23Å; I78-F89 HydrophobicContact CD1-CE2 4.18Å; I78-F89 HydrophobicContact CD1-CG 3.87Å; I78-F89 HydrophobicContact CD1-CZ 4.31Å; I78-V132 HydrophobicContact CB-CB 4.35Å; I78-V132 PolarHBondContact N-O 3.41Å; I78-V132 PolarHBondContact O-N 3.48Å; I78-I156 HydrophobicContact CG2-CD1 4.3Å; I78-L162 HydrophobicContact CG2-CD1 3.59Å; I78-V165 HydrophobicContact CG1-CG1 4.44Å; I78-V165 HydrophobicContact CG2-CG2 4.28Å |
| 79 | V | 97 | Very high | 96.8 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111.6 | 174 | -174.1 | 0 | 0 | 0 | 0 | 108.2 | W129 N130 Q131 R163 R164 L183 | V79-W129 HydrophobicContact CG1-CE3 4.17Å; V79-W129 HydrophobicContact CG1-CZ3 4.37Å; V79-N130 WeakPolarHBondContact CA-O 3.2Å; V79-Q131 HydrophobicContact CG2-CG 4.38Å; V79-R163 HydrophobicContact CB-CB 4.26Å; V79-R163 HydrophobicContact CG1-CB 4.02Å; V79-R163 HydrophobicContact CG1-CG 4.21Å; V79-R163 PolarHBondContact O-N 3.33Å; V79-R164 HydrophobicContact CB-CB 4.24Å; V79-R164 HydrophobicContact CG2-CB 4.29Å; V79-R164 PolarHBondContact N-O 2.97Å; V79-R164 PolarHBondContact O-N 2.89Å; V79-L183 HydrophobicContact CG1-CD2 4.41Å |
| 80 | L | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.7 | -173.1 | 70.3 | 93.9 | 0 | 0 | 0 | 111.8 | I78 F87 L125 W129 N130 V132 C160 R161 L162 | I78-L80 HydrophobicContact CB-CD2 4.32Å; I78-L80 HydrophobicContact CG2-CB 4.36Å; I78-L80 HydrophobicContact CG2-CD2 3.62Å; I78-L80 HydrophobicContact CG2-CG 4.5Å; L80-F87 HydrophobicContact CD2-CE1 3.75Å; L80-F87 HydrophobicContact CD2-CE2 4.49Å; L80-F87 HydrophobicContact CD2-CZ 3.68Å; L80-L125 HydrophobicContact CD1-CD1 3.77Å; L80-L125 HydrophobicContact CD1-CD2 4.07Å; L80-W129 VanDerWaalsContact C-CE3 3.45Å; L80-N130 PolarHBondContact N-O 2.66Å; L80-N130 PolarHBondContact O-N 2.73Å; L80-V132 HydrophobicContact CD2-CG2 4.11Å; L80-C160 HydrophobicContact CB-CB 4.48Å; L80-C160 HydrophobicContact CD1-CB 4.24Å; L80-R161 CarbonylContact C-O 3.53Å; L80-R161 VanDerWaalsContact CA-O 3.24Å; L80-R161 WeakPolarHBondContact CA-O 3.44Å; L80-L162 HydrophobicContact CB-CD1 4.26Å |
| 81 | K | 97.7 | Very high | 97.1 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 12% | 0.122 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.6 | 168.9 | -169.6 | 169.4 | 175.9 | 159.1 | 0 | 110 | D39 E41 G128 W129 R161 | D39-K81 IonicContact OD1-NZ 2.71Å; D39-K81 PolarHBondContact OD1-NZ 2.98Å; D39-K81 WeakPolarHBondContact OD2-CD 3.39Å; D39-K81 IonicContact OD2-NZ 3.52Å; D39-K81 PolarHBondContact OD2-NZ 2.98Å; E41-K81 VanDerWaalsContact OE2-CE 3.3Å; E41-K81 WeakPolarHBondContact OE2-CE 3.43Å; E41-K81 IonicContact OE2-NZ 3.19Å; E41-K81 PolarHBondContact OE2-NZ 3.33Å; K81-G128 CarbonylContact C-O 3.51Å; K81-G128 WeakPolarHBondContact CA-O 3.45Å; K81-W129 HydrophobicContact CB-CD2 3.88Å; K81-W129 HydrophobicContact CB-CE3 3.98Å; K81-W129 HydrophobicContact CB-CG 4.47Å; K81-W129 HydrophobicContact CB-CH2 4.03Å; K81-W129 HydrophobicContact CB-CZ2 3.97Å; K81-W129 HydrophobicContact CB-CZ3 4.05Å; K81-W129 HydrophobicContact CD-CZ2 4.16Å; K81-W129 HydrophobicContact CG-CD2 4.41Å; K81-R161 HydrophobicContact CB-CB 4.03Å; K81-R161 PolarHBondContact N-O 2.74Å; K81-R161 PolarHBondContact O-N 3.06Å |
| 82 | N | 95.6 | Very high | 97.1 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 124.1 | 170.8 | -178.1 | 9.1 | 0 | 0 | 0 | 109.3 | N84 L125 D126 G128 | N82-N84 VanDerWaalsContact C-N 3.28Å; N82-N84 WeakPolarHBondContact OD1-CA 3.31Å; N82-N84 PolarHBondContact OD1-N 2.94Å; N82-L125 HydrophobicContact CB-CB 3.97Å; N82-L125 HydrophobicContact CB-CD1 4.34Å; N82-L125 PolarHBondContact ND2-O 2.78Å; N82-L125 VanDerWaalsContact ND2-O 3.16Å; N82-D126 WeakPolarHBondContact CB-O 3.48Å; N82-D126 PolarHBondContact ND2-O 3.05Å; N82-G128 PolarHBondContact N-O 2.91Å |
| 83 | L | 96 | Very high | 97.2 | Very high | 39 Ų | 39 | 30.7 Ų | 30.7 | 20% | 0.204 | 15% | 0.145 | C | C | . | . | trans | -94.2 | 18.8 | 177.3 | -59.7 | -176.6 | 0 | 0 | 0 | 112.6 | L50 K85 R161 | L50-L83 HydrophobicContact CD2-CD1 3.64Å; L83-K85 PolarHBondContact O-N 2.7Å; L83-R161 HydrophobicContact CD1-CG 4.36Å; L83-R161 HydrophobicContact CD2-CG 4.05Å | ||
| 84 | N | 94.2 | Very high | 97.2 | Very high | 109 Ų | 109 | 30 Ų | 30 | 58% | 0.583 | 14% | 0.142 | S | C | * | . | S | Bend | trans | 53.8 | 40.6 | -175.2 | -63.6 | -31.2 | 0 | 0 | 0 | 112.3 | N82 | N82-N84 VanDerWaalsContact C-N 3.28Å; N82-N84 WeakPolarHBondContact OD1-CA 3.31Å; N82-N84 PolarHBondContact OD1-N 2.94Å |
| 85 | K | 94.8 | Very high | 97.3 | Very high | 114 Ų | 114 | 28.9 Ų | 28.9 | 50% | 0.496 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -136.6 | 163.6 | -178.5 | -77.4 | -179.2 | -177.8 | -177.2 | 0 | 109.7 | L83 F87 N159 | L83-K85 PolarHBondContact O-N 2.7Å; K85-F87 PolarHBondContact O-N 2.86Å; K85-N159 HydrophobicContact CB-CB 3.6Å; K85-N159 HydrophobicContact CD-CB 4.21Å |
| 86 | Y | 95.9 | Very high | 97.3 | Very high | 157 Ų | 157 | 32.7 Ų | 32.7 | 62% | 0.616 | 16% | 0.155 | S | C | * | . | trans | -60.8 | 132.2 | 176.1 | -66.4 | -49.1 | 0 | 0 | 0 | 111.5 | I54 T107 C108 N159 | I54-Y86 WeakPolarHBondContact CG2-O 3.49Å; Y86-T107 WeakPolarHBondContact CA-OG1 3.47Å; Y86-C108 VanDerWaalsContact CB-SG 3.54Å; Y86-C108 HydrophobicContact CD1-CB 4.47Å; Y86-C108 WeakPolarHBondContact CD1-SG 3.21Å; Y86-N159 VanDerWaalsContact O-CB 3.24Å; Y86-N159 WeakPolarHBondContact O-CB 3.3Å; Y86-N159 PolarHBondContact O-ND2 2.81Å | ||
| 87 | F | 96.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | trans | -137.9 | 150.9 | -176.8 | 171.3 | -99.2 | 0 | 0 | 0 | 109.7 | L80 K85 F89 S106 T107 M123 L125 I156 C160 | L80-F87 HydrophobicContact CD2-CE1 3.75Å; L80-F87 HydrophobicContact CD2-CE2 4.49Å; L80-F87 HydrophobicContact CD2-CZ 3.68Å; K85-F87 PolarHBondContact O-N 2.86Å; F87-F89 AromaticContact CE1-CD1 3.98Å; F87-F89 HydrophobicContact CE1-CD1 3.98Å; F87-F89 HydrophobicContact CZ-CB 4.37Å; F87-F89 HydrophobicContact CZ-CD1 4.4Å; F87-S106 WeakPolarHBondContact O-CA 3.19Å; F87-T107 HydrophobicContact CB-CG2 4.4Å; F87-T107 PolarHBondContact N-OG1 2.87Å; F87-T107 PolarHBondContact O-N 2.95Å; F87-T107 PolarHBondContact O-OG1 3.15Å; F87-M123 HydrophobicContact CD1-CE 4.47Å; F87-M123 HydrophobicContact CD1-SD 4.04Å; F87-M123 HydrophobicContact CE1-CE 4.3Å; F87-M123 HydrophobicContact CE1-SD 4.14Å; F87-L125 HydrophobicContact CB-CD1 4.17Å; F87-L125 HydrophobicContact CD1-CD1 3.68Å; F87-L125 HydrophobicContact CE1-CD1 4.44Å; F87-L125 HydrophobicContact CG-CD1 4.12Å; F87-I156 HydrophobicContact CE2-CG2 3.83Å; F87-I156 HydrophobicContact CZ-CG2 4.08Å; F87-C160 HydrophobicContact CD2-CB 3.74Å; F87-C160 HydrophobicContact CE2-CB 3.79Å; F87-C160 VanDerWaalsContact CE2-SG 3.6Å | ||
| 88 | S | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 163.6 | 171 | 57 | 0 | 0 | 0 | 0 | 112 | H104 A105 H157 | S88-H104 WeakPolarHBondContact CB-NE2 3.4Å; S88-A105 CarbonylContact C-O 3.57Å; S88-A105 WeakPolarHBondContact CA-O 3.49Å; S88-A105 WeakPolarHBondContact CB-O 3.46Å; S88-H157 VanDerWaalsContact O-CB 3.27Å; S88-H157 WeakPolarHBondContact O-CB 3.45Å; S88-H157 PolarHBondContact O-N 3.44Å; S88-H157 PolarHBondContact O-ND1 3.08Å; S88-H157 PolarHBondContact OG-ND1 2.88Å |
| 89 | F | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 156.4 | 167.3 | 69.9 | -89.4 | 0 | 0 | 0 | 110.5 | L76 I78 F87 V91 A105 M123 V132 F134 L154 S155 I156 L203 | L76-F89 HydrophobicContact CD2-CE2 4.28Å; I78-F89 HydrophobicContact CD1-CB 4.4Å; I78-F89 HydrophobicContact CD1-CD1 4.03Å; I78-F89 HydrophobicContact CD1-CD2 3.95Å; I78-F89 HydrophobicContact CD1-CE1 4.23Å; I78-F89 HydrophobicContact CD1-CE2 4.18Å; I78-F89 HydrophobicContact CD1-CG 3.87Å; I78-F89 HydrophobicContact CD1-CZ 4.31Å; F87-F89 AromaticContact CE1-CD1 3.98Å; F87-F89 HydrophobicContact CE1-CD1 3.98Å; F87-F89 HydrophobicContact CZ-CB 4.37Å; F87-F89 HydrophobicContact CZ-CD1 4.4Å; F89-V91 HydrophobicContact CD2-CG2 3.74Å; F89-V91 HydrophobicContact CE2-CG2 3.68Å; F89-A105 HydrophobicContact CD1-CB 4.01Å; F89-A105 HydrophobicContact CE1-CB 3.47Å; F89-A105 VanDerWaalsContact CE1-CB 3.47Å; F89-A105 HydrophobicContact CE2-CB 4.22Å; F89-A105 HydrophobicContact CZ-CB 3.59Å; F89-A105 PolarHBondContact N-O 3.41Å; F89-A105 PolarHBondContact O-N 3.17Å; F89-M123 HydrophobicContact CD1-CE 4.29Å; F89-M123 HydrophobicContact CD1-SD 4.03Å; F89-M123 HydrophobicContact CE1-CE 3.78Å; F89-M123 HydrophobicContact CE1-SD 3.85Å; F89-V132 HydrophobicContact CE1-CG1 4.08Å; F89-V132 HydrophobicContact CZ-CG1 4.31Å; F89-F134 HydrophobicContact CE2-CD1 4.37Å; F89-F134 HydrophobicContact CE2-CG 4.44Å; F89-F134 HydrophobicContact CZ-CD2 4.45Å; F89-F134 HydrophobicContact CZ-CG 4.33Å; F89-L154 HydrophobicContact CD2-CD1 4.46Å; F89-S155 CarbonylContact C-O 3.57Å; F89-S155 VanDerWaalsContact CA-O 3.27Å; F89-S155 WeakPolarHBondContact CA-O 3.48Å; F89-S155 WeakPolarHBondContact CB-O 3.47Å; F89-I156 HydrophobicContact CB-CG1 4.43Å; F89-L203 HydrophobicContact CE1-CD1 4.12Å; F89-L203 HydrophobicContact CZ-CD1 3.72Å |
| 90 | E | 98.2 | Very high | 97.4 | Very high | 44 Ų | 44 | 52 Ų | 52 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.2 | 176.2 | -68.5 | -174.7 | 154.1 | 0 | 0 | 111.3 | R102 F103 H104 L154 S155 | E90-R102 HydrophobicContact CB-CG 4.41Å; E90-R102 IonicContact OE1-NH1 3.57Å; E90-R102 IonicContact OE2-NE 3.99Å; E90-R102 IonicContact OE2-NH1 3.53Å; E90-F103 CarbonylContact C-O 3.54Å; E90-F103 WeakPolarHBondContact CA-O 3.16Å; E90-H104 HydrophobicContact CG-CB 4.15Å; E90-H104 IonicContact OE1-CD2 3.29Å; E90-L154 CarbonylContact O-C 3.49Å; E90-L154 WeakPolarHBondContact O-CA 3.24Å; E90-L154 WeakPolarHBondContact O-CD1 3.41Å; E90-S155 PolarHBondContact N-O 3.23Å; E90-S155 PolarHBondContact O-N 3.31Å |
| 91 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.8 | 171.9 | -164.7 | 0 | 0 | 0 | 0 | 108.9 | L76 F89 I93 R102 F103 F134 L136 T151 L154 | L76-V91 HydrophobicContact CD2-CG2 3.55Å; F89-V91 HydrophobicContact CD2-CG2 3.74Å; F89-V91 HydrophobicContact CE2-CG2 3.68Å; V91-I93 HydrophobicContact CG1-CG2 4.13Å; V91-R102 CarbonylContact O-C 3.56Å; V91-R102 WeakPolarHBondContact O-CA 3.25Å; V91-F103 PolarHBondContact N-O 3.08Å; V91-F103 PolarHBondContact O-N 2.88Å; V91-F134 HydrophobicContact CG2-CD1 4.34Å; V91-F134 HydrophobicContact CG2-CE1 4.39Å; V91-L136 HydrophobicContact CB-CD2 4.05Å; V91-L136 HydrophobicContact CG1-CD1 4.31Å; V91-L136 HydrophobicContact CG1-CD2 3.64Å; V91-L136 HydrophobicContact CG2-CD2 4.39Å; V91-T151 HydrophobicContact CG1-CG2 3.75Å; V91-L154 HydrophobicContact CG2-CD1 3.86Å |
| 92 | Q | 98.4 | Very high | 97.5 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.8 | 170.4 | -170.4 | 173.7 | 11.6 | 0 | 0 | 109.2 | K100 R101 V152 K153 | Q92-K100 HydrophobicContact CG-CB 4.45Å; Q92-R101 CarbonylContact C-O 3.41Å; Q92-R101 WeakPolarHBondContact CA-O 3.33Å; Q92-V152 HydrophobicContact CB-CB 4.49Å; Q92-V152 HydrophobicContact CG-CB 4.35Å; Q92-V152 PolarHBondContact O-N 2.78Å; Q92-K153 HydrophobicContact CB-CB 4.05Å; Q92-K153 PolarHBondContact N-O 3.38Å; Q92-K153 PolarHBondContact O-N 2.91Å |
| 93 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 163 | 176.4 | 66.7 | 77.7 | 0 | 0 | 0 | 111 | V91 D95 K100 R101 F103 L136 T140 Y148 E150 | V91-I93 HydrophobicContact CG1-CG2 4.13Å; I93-D95 HydrophobicContact CD1-CB 4.14Å; I93-K100 CarbonylContact O-C 3.52Å; I93-K100 VanDerWaalsContact O-CA 3.27Å; I93-K100 WeakPolarHBondContact O-CA 3.21Å; I93-R101 HydrophobicContact CD1-CB 3.89Å; I93-R101 HydrophobicContact CD1-CG 4.17Å; I93-R101 HydrophobicContact CG1-CB 4.25Å; I93-R101 PolarHBondContact N-O 2.9Å; I93-R101 PolarHBondContact O-N 2.97Å; I93-F103 HydrophobicContact CG1-CD2 4.29Å; I93-F103 HydrophobicContact CG1-CE2 3.85Å; I93-L136 HydrophobicContact CG2-CD2 3.84Å; I93-T140 HydrophobicContact CD1-CG2 4.02Å; I93-Y148 HydrophobicContact CB-CD2 3.95Å; I93-Y148 HydrophobicContact CB-CE2 4.01Å; I93-Y148 HydrophobicContact CG2-CD2 3.9Å; I93-Y148 HydrophobicContact CG2-CE2 3.65Å; I93-E150 CarbonylContact C-O 3.55Å; I93-E150 VanDerWaalsContact CA-O 3.29Å; I93-E150 WeakPolarHBondContact CA-O 3.26Å |
| 94 | L | 98.5 | Very high | 97.8 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.9 | 163.7 | -173.4 | 69.5 | 0 | 0 | 0 | 108.6 | K100 I149 E150 V152 | L94-K100 HydrophobicContact CD1-CG 4.02Å; L94-I149 WeakPolarHBondContact O-CB 3.18Å; L94-I149 PolarHBondContact O-N 2.83Å; L94-E150 HydrophobicContact CB-CG 3.93Å; L94-E150 HydrophobicContact CD2-CG 4.29Å; L94-E150 PolarHBondContact N-O 3.11Å; L94-E150 PolarHBondContact O-N 3.28Å; L94-V152 HydrophobicContact CB-CG2 3.91Å |
| 95 | D | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 177.5 | 176.2 | 73.5 | 3.2 | 0 | 0 | 0 | 113.4 | I93 Q97 N98 L99 R101 T140 T146 T147 | I93-D95 HydrophobicContact CD1-CB 4.14Å; D95-Q97 PolarHBondContact O-N 2.77Å; D95-Q97 WeakPolarHBondContact OD1-CA 3.37Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.32Å; D95-Q97 PolarHBondContact OD1-N 2.81Å; D95-Q97 VanDerWaalsContact OD1-N 3.09Å; D95-N98 WeakPolarHBondContact O-CA 3.43Å; D95-N98 PolarHBondContact O-N 2.83Å; D95-N98 PolarHBondContact OD1-N 3.04Å; D95-L99 PolarHBondContact N-O 2.82Å; D95-L99 WeakPolarHBondContact OD1-CA 3.19Å; D95-L99 WeakPolarHBondContact OD1-CB 3.24Å; D95-L99 PolarHBondContact OD1-N 2.81Å; D95-R101 IonicContact OD2-CZ 3.16Å; D95-R101 IonicContact OD2-NE 3.87Å; D95-R101 PolarHBondContact OD2-NE 3.03Å; D95-R101 IonicContact OD2-NH2 2.76Å; D95-R101 PolarHBondContact OD2-NH2 2.99Å; D95-T140 HydrophobicContact CB-CG2 4.22Å; D95-T146 VanDerWaalsContact OD2-CB 3.3Å; D95-T146 WeakPolarHBondContact OD2-CB 3.34Å; D95-T146 WeakPolarHBondContact OD2-CG2 3.41Å; D95-T146 PolarHBondContact OD2-OG1 3.45Å; D95-T147 CarbonylContact C-O 3.56Å; D95-T147 WeakPolarHBondContact CA-O 3.37Å; D95-T147 WeakPolarHBondContact CB-O 3.42Å |
| 96 | D | 98.4 | Very high | 98 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 46% | 0.455 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13.2 | 179.4 | 58.6 | -7 | 0 | 0 | 0 | 114.4 | T146 T147 I149 | D96-T146 VanDerWaalsContact OD1-CB 3.25Å; D96-T146 WeakPolarHBondContact OD1-CB 3.37Å; D96-T147 VanDerWaalsContact CG-N 3.31Å; D96-T147 PolarHBondContact N-O 2.88Å; D96-T147 PolarHBondContact OD1-N 2.88Å; D96-T147 WeakPolarHBondContact OD2-CB 3.35Å; D96-T147 PolarHBondContact OD2-N 2.92Å; D96-T147 PolarHBondContact OD2-OG1 2.93Å; D96-I149 HydrophobicContact CB-CD1 4.14Å; D96-I149 HydrophobicContact CB-CG1 4.4Å |
| 97 | Q | 98.2 | Very high | 98 | Very high | 117 Ų | 117 | 39.8 Ų | 39.8 | 55% | 0.547 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 6.8 | 168.6 | -62 | -176.2 | -13.3 | 0 | 0 | 112.3 | D95 L99 T146 | D95-Q97 PolarHBondContact O-N 2.77Å; D95-Q97 WeakPolarHBondContact OD1-CA 3.37Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.32Å; D95-Q97 PolarHBondContact OD1-N 2.81Å; D95-Q97 VanDerWaalsContact OD1-N 3.09Å; Q97-L99 HydrophobicContact CB-CD1 4.23Å; Q97-L99 HydrophobicContact CB-CG 4.12Å; Q97-L99 PolarHBondContact O-N 2.79Å; Q97-T146 HydrophobicContact CG-CG2 3.77Å |
| 98 | N | 97.9 | Very high | 97.9 | Very high | 127 Ų | 127 | 42.6 Ų | 42.6 | 68% | 0.679 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 58.4 | 28.3 | -175.6 | -164.8 | 37.7 | 0 | 0 | 0 | 112.5 | D95 | D95-N98 WeakPolarHBondContact O-CA 3.43Å; D95-N98 PolarHBondContact O-N 2.83Å; D95-N98 PolarHBondContact OD1-N 3.04Å |
| 99 | L | 98.2 | Very high | 97.6 | Very high | 60 Ų | 60 | 44.9 Ų | 44.9 | 31% | 0.314 | 22% | 0.221 | S | C | . | . | trans | -99.2 | 134.4 | 177.4 | -65.1 | 179.9 | 0 | 0 | 0 | 110.4 | D95 Q97 F117 | D95-L99 PolarHBondContact N-O 2.82Å; D95-L99 WeakPolarHBondContact OD1-CA 3.19Å; D95-L99 WeakPolarHBondContact OD1-CB 3.24Å; D95-L99 PolarHBondContact OD1-N 2.81Å; Q97-L99 HydrophobicContact CB-CD1 4.23Å; Q97-L99 HydrophobicContact CB-CG 4.12Å; Q97-L99 PolarHBondContact O-N 2.79Å; L99-F117 HydrophobicContact CD1-CE1 4.45Å; L99-F117 HydrophobicContact CD2-CE1 4.21Å | ||
| 100 | K | 98.4 | Very high | 97.4 | Very high | 115 Ų | 115 | 50.7 Ų | 50.7 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.4 | 172.5 | -69.2 | -178.7 | -178.6 | 177.9 | 0 | 109.8 | Q92 I93 L94 | Q92-K100 HydrophobicContact CG-CB 4.45Å; I93-K100 CarbonylContact O-C 3.52Å; I93-K100 VanDerWaalsContact O-CA 3.27Å; I93-K100 WeakPolarHBondContact O-CA 3.21Å; L94-K100 HydrophobicContact CD1-CG 4.02Å |
| 101 | R | 98.4 | Very high | 97.2 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 6% | 0.057 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.3 | -179.9 | -49.8 | -168.1 | -171.7 | -105.5 | 6.6 | 110.4 | Q92 I93 D95 P116 Y144 | Q92-R101 CarbonylContact C-O 3.41Å; Q92-R101 WeakPolarHBondContact CA-O 3.33Å; I93-R101 HydrophobicContact CD1-CB 3.89Å; I93-R101 HydrophobicContact CD1-CG 4.17Å; I93-R101 HydrophobicContact CG1-CB 4.25Å; I93-R101 PolarHBondContact N-O 2.9Å; I93-R101 PolarHBondContact O-N 2.97Å; D95-R101 IonicContact OD2-CZ 3.16Å; D95-R101 IonicContact OD2-NE 3.87Å; D95-R101 PolarHBondContact OD2-NE 3.03Å; D95-R101 IonicContact OD2-NH2 2.76Å; D95-R101 PolarHBondContact OD2-NH2 2.99Å; R101-P116 PolarHBondContact NH1-O 2.98Å; R101-Y144 HydrophobicContact CB-CD2 4.45Å; R101-Y144 HydrophobicContact CB-CE2 3.83Å; R101-Y144 HydrophobicContact CG-CD2 4.38Å; R101-Y144 HydrophobicContact CG-CE2 4.17Å |
| 102 | R | 98.5 | Very high | 97.1 | Very high | 112 Ų | 112 | 55 Ų | 55 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.4 | 179.8 | -166.9 | -176.5 | -55.8 | 179.4 | 4.9 | 110.5 | E90 V91 F117 A118 C119 | E90-R102 HydrophobicContact CB-CG 4.41Å; E90-R102 IonicContact OE1-NH1 3.57Å; E90-R102 IonicContact OE2-NE 3.99Å; E90-R102 IonicContact OE2-NH1 3.53Å; V91-R102 CarbonylContact O-C 3.56Å; V91-R102 WeakPolarHBondContact O-CA 3.25Å; R102-F117 PolarHBondContact N-O 3.26Å; R102-A118 CarbonylContact O-C 3.52Å; R102-A118 VanDerWaalsContact O-CA 3.23Å; R102-A118 WeakPolarHBondContact O-CA 3.3Å; R102-C119 PolarHBondContact O-N 2.68Å |
| 103 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.2 | 164.4 | -68.3 | -75.9 | 0 | 0 | 0 | 108.9 | E90 V91 I93 C119 M121 F134 F139 A143 Y144 | E90-F103 CarbonylContact C-O 3.54Å; E90-F103 WeakPolarHBondContact CA-O 3.16Å; V91-F103 PolarHBondContact N-O 3.08Å; V91-F103 PolarHBondContact O-N 2.88Å; I93-F103 HydrophobicContact CG1-CD2 4.29Å; I93-F103 HydrophobicContact CG1-CE2 3.85Å; F103-C119 CarbonylContact C-O 3.59Å; F103-C119 WeakPolarHBondContact CA-O 3.29Å; F103-C119 HydrophobicContact CD1-CB 3.59Å; F103-C119 HydrophobicContact CE1-CB 3.69Å; F103-M121 HydrophobicContact CB-CE 4.31Å; F103-M121 HydrophobicContact CD1-CE 3.45Å; F103-M121 VanDerWaalsContact CD1-CE 3.45Å; F103-M121 HydrophobicContact CE1-CE 4.18Å; F103-M121 HydrophobicContact CG-CE 4.28Å; F103-F134 HydrophobicContact CB-CE1 3.87Å; F103-F134 HydrophobicContact CB-CZ 3.83Å; F103-F134 HydrophobicContact CD1-CZ 4.17Å; F103-F134 HydrophobicContact CD2-CE1 4.34Å; F103-F134 HydrophobicContact CG-CE1 4.05Å; F103-F134 AromaticContact CG-CZ 3.96Å; F103-F134 HydrophobicContact CG-CZ 3.96Å; F103-F139 HydrophobicContact CD1-CB 4.45Å; F103-F139 HydrophobicContact CE1-CB 3.89Å; F103-F139 HydrophobicContact CZ-CB 3.95Å; F103-A143 HydrophobicContact CE1-CB 4.07Å; F103-A143 HydrophobicContact CZ-CB 4.4Å; F103-Y144 AromaticContact CE1-CE2 3.94Å; F103-Y144 HydrophobicContact CE1-CE2 3.94Å; F103-Y144 HydrophobicContact CE2-CE2 4.33Å; F103-Y144 HydrophobicContact CZ-CD2 4.13Å; F103-Y144 AromaticContact CZ-CE2 3.61Å; F103-Y144 HydrophobicContact CZ-CE2 3.61Å |
| 104 | H | 98.1 | Very high | 97 | Very high | 39 Ų | 39 | 58.5 Ų | 58.5 | 18% | 0.181 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 107.9 | 175.2 | 173.8 | -114.9 | 0 | 0 | 0 | 108.5 | S88 E90 C119 M120 M121 | S88-H104 WeakPolarHBondContact CB-NE2 3.4Å; E90-H104 HydrophobicContact CG-CB 4.15Å; E90-H104 IonicContact OE1-CD2 3.29Å; H104-C119 PolarHBondContact N-O 2.79Å; H104-M120 HydrophobicContact CB-CG 4.25Å; H104-M120 CarbonylContact O-C 3.5Å; H104-M120 WeakPolarHBondContact O-CA 3.42Å; H104-M121 PolarHBondContact O-N 3.15Å |
| 105 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | S88 F89 M121 M123 L203 | S88-A105 CarbonylContact C-O 3.57Å; S88-A105 WeakPolarHBondContact CA-O 3.49Å; S88-A105 WeakPolarHBondContact CB-O 3.46Å; F89-A105 HydrophobicContact CD1-CB 4.01Å; F89-A105 HydrophobicContact CE1-CB 3.47Å; F89-A105 VanDerWaalsContact CE1-CB 3.47Å; F89-A105 HydrophobicContact CE2-CB 4.22Å; F89-A105 HydrophobicContact CZ-CB 3.59Å; F89-A105 PolarHBondContact N-O 3.41Å; F89-A105 PolarHBondContact O-N 3.17Å; A105-M121 WeakPolarHBondContact CA-O 3.39Å; A105-M121 HydrophobicContact CB-CG 3.88Å; A105-M121 HydrophobicContact CB-SD 4.41Å; A105-M123 HydrophobicContact CB-SD 3.92Å; A105-L203 HydrophobicContact CB-CD1 4.11Å |
| 106 | S | 96.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 142.2 | -173.6 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | F87 C108 Q109 M121 M123 | F87-S106 WeakPolarHBondContact O-CA 3.19Å; S106-C108 PolarHBondContact O-N 2.71Å; S106-C108 WeakPolarHBondContact OG-CB 3.46Å; S106-C108 PolarHBondContact OG-N 3.34Å; S106-C108 VanDerWaalsContact OG-N 3.09Å; S106-Q109 PolarHBondContact O-N 3.21Å; S106-M121 PolarHBondContact N-O 3.32Å; S106-M121 VanDerWaalsContact N-O 3.12Å; S106-M123 VanDerWaalsContact C-CG 3.5Å; S106-M123 PolarHBondContact O-N 3.34Å |
| 107 | T | 95.6 | Very high | 96.9 | Very high | 41 Ų | 41 | 69 Ų | 69 | 25% | 0.252 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -13.1 | 172.3 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | Y86 F87 M123 L125 | Y86-T107 WeakPolarHBondContact CA-OG1 3.47Å; F87-T107 HydrophobicContact CB-CG2 4.4Å; F87-T107 PolarHBondContact N-OG1 2.87Å; F87-T107 PolarHBondContact O-N 2.95Å; F87-T107 PolarHBondContact O-OG1 3.15Å; T107-M123 HydrophobicContact CG2-CG 3.8Å; T107-L125 HydrophobicContact CG2-CD1 4.13Å; T107-L125 HydrophobicContact CG2-CG 4.22Å |
| 108 | C | 93.8 | Very high | 96.8 | Very high | 60 Ų | 60 | 64.9 Ų | 64.9 | 41% | 0.405 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -22.9 | 173 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | Y86 S106 | Y86-C108 VanDerWaalsContact CB-SG 3.54Å; Y86-C108 HydrophobicContact CD1-CB 4.47Å; Y86-C108 WeakPolarHBondContact CD1-SG 3.21Å; S106-C108 PolarHBondContact O-N 2.71Å; S106-C108 WeakPolarHBondContact OG-CB 3.46Å; S106-C108 PolarHBondContact OG-N 3.34Å; S106-C108 VanDerWaalsContact OG-N 3.09Å |
| 109 | Q | 92.1 | Very high | 96.9 | Very high | 50 Ų | 50 | 58.8 Ų | 58.8 | 23% | 0.234 | 31% | 0.313 | C | S | . | . | trans | -80.9 | 135.5 | -176.2 | -172 | 70.6 | 48.4 | 0 | 0 | 109.5 | S106 T111 P122 | S106-Q109 PolarHBondContact O-N 3.21Å; Q109-T111 WeakPolarHBondContact CG-O 3.07Å; Q109-T111 PolarHBondContact NE2-O 3Å; Q109-P122 WeakPolarHBondContact O-CA 3.36Å; Q109-P122 WeakPolarHBondContact O-CB 3.24Å | ||
| 110 | T | 93.4 | Very high | 96.8 | Very high | 122 Ų | 122 | 58 Ų | 58 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | trans | -105 | -29.3 | -179.9 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 111 | T | 94.8 | Very high | 96.8 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -128.5 | 151.7 | -177.1 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | Q109 | Q109-T111 WeakPolarHBondContact CG-O 3.07Å; Q109-T111 PolarHBondContact NE2-O 3Å |
| 112 | T | 96.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | trans | -76.6 | 131.3 | 171.8 | -57.9 | 0 | 0 | 0 | 0 | 109.9 | V114 M120 M121 P122 I206 | T112-V114 HydrophobicContact CG2-CG2 4.08Å; T112-M120 CarbonylContact C-O 3.5Å; T112-M120 VanDerWaalsContact CA-O 3.3Å; T112-M120 WeakPolarHBondContact CA-O 3.17Å; T112-M121 HydrophobicContact CG2-CB 4.48Å; T112-P122 WeakPolarHBondContact OG1-CD 3.45Å; T112-I206 HydrophobicContact CG2-CD1 4.24Å; T112-I206 HydrophobicContact CG2-CG1 4.03Å; T112-I206 HydrophobicContact CG2-CG2 4.03Å | ||
| 113 | V | 97.4 | Very high | 96.5 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 116 | 175.1 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | K115 C119 M120 | V113-K115 HydrophobicContact CG1-CG 4.4Å; V113-C119 WeakPolarHBondContact O-CA 3.48Å; V113-M120 HydrophobicContact CB-CE 3.73Å; V113-M120 HydrophobicContact CG1-CE 3.55Å; V113-M120 PolarHBondContact N-O 2.94Å; V113-M120 PolarHBondContact O-N 3.39Å |
| 114 | V | 97.7 | Very high | 96.3 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 116.3 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | T112 A143 Y144 | T112-V114 HydrophobicContact CG2-CG2 4.08Å; V114-A143 HydrophobicContact CG1-CB 4.25Å; V114-A143 WeakPolarHBondContact CG1-O 3.34Å; V114-A143 HydrophobicContact CG2-CB 4.48Å; V114-Y144 HydrophobicContact CG1-CD1 4.36Å; V114-Y144 HydrophobicContact CG1-CE1 3.9Å |
| 115 | K | 97.6 | Very high | 96.1 | Very high | 120 Ų | 120 | 56.6 Ų | 56.6 | 52% | 0.522 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 161.5 | 169.8 | -62.4 | -177.1 | 176.9 | 179.7 | 0 | 108.7 | V113 F117 A118 M120 Y144 | V113-K115 HydrophobicContact CG1-CG 4.4Å; K115-F117 PolarHBondContact O-N 3.29Å; K115-A118 WeakPolarHBondContact CA-O 3.34Å; K115-A118 WeakPolarHBondContact CB-O 3.27Å; K115-A118 PolarHBondContact N-O 3.06Å; K115-A118 PolarHBondContact O-N 3.42Å; K115-A118 VanDerWaalsContact O-N 3.14Å; K115-A118 VanDerWaalsContact O-O 3.14Å; K115-M120 HydrophobicContact CD-CE 4.06Å; K115-M120 HydrophobicContact CG-CE 4.32Å; K115-Y144 WeakPolarHBondContact O-CE1 3.33Å |
| 116 | P | 96.5 | Very high | 95.9 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 60% | 0.597 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -37.2 | -175.1 | -31.5 | 36.5 | 0 | 0 | 0 | 115.7 | R101 Y144 | R101-P116 PolarHBondContact NH1-O 2.98Å; P116-Y144 WeakPolarHBondContact O-CE1 3.26Å |
| 117 | F | 97.8 | Very high | 95.8 | Very high | 124 Ų | 124 | 66.1 Ų | 66.1 | 54% | 0.544 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 3.6 | -177.7 | -53.3 | -65.9 | 0 | 0 | 0 | 114.1 | L99 R102 K115 | L99-F117 HydrophobicContact CD1-CE1 4.45Å; L99-F117 HydrophobicContact CD2-CE1 4.21Å; R102-F117 PolarHBondContact N-O 3.26Å; K115-F117 PolarHBondContact O-N 3.29Å |
| 118 | A | 97.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 64.8 Ų | 64.8 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 128 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R102 K115 Y144 | R102-A118 CarbonylContact O-C 3.52Å; R102-A118 VanDerWaalsContact O-CA 3.23Å; R102-A118 WeakPolarHBondContact O-CA 3.3Å; K115-A118 WeakPolarHBondContact CA-O 3.34Å; K115-A118 WeakPolarHBondContact CB-O 3.27Å; K115-A118 PolarHBondContact N-O 3.06Å; K115-A118 PolarHBondContact O-N 3.42Å; K115-A118 VanDerWaalsContact O-N 3.14Å; K115-A118 VanDerWaalsContact O-O 3.14Å; A118-Y144 PolarHBondContact N-OH 2.6Å |
| 119 | C | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.9 | 173.2 | 175.4 | 0 | 0 | 0 | 0 | 108.5 | R102 F103 H104 V113 A143 Y144 | R102-C119 PolarHBondContact O-N 2.68Å; F103-C119 CarbonylContact C-O 3.59Å; F103-C119 WeakPolarHBondContact CA-O 3.29Å; F103-C119 HydrophobicContact CD1-CB 3.59Å; F103-C119 HydrophobicContact CE1-CB 3.69Å; H104-C119 PolarHBondContact N-O 2.79Å; V113-C119 WeakPolarHBondContact O-CA 3.48Å; C119-A143 HydrophobicContact CB-CB 4.47Å; C119-Y144 HydrophobicContact CB-CE2 4.48Å; C119-Y144 WeakPolarHBondContact CB-OH 3.23Å; C119-Y144 PolarHBondContact N-OH 3.04Å; C119-Y144 VanDerWaalsContact N-OH 3.13Å |
| 120 | M | 97.9 | Very high | 96 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 132.2 | 173.5 | -62.6 | 156.9 | -77.6 | 0 | 0 | 108.1 | H104 T112 V113 K115 | H104-M120 HydrophobicContact CB-CG 4.25Å; H104-M120 CarbonylContact O-C 3.5Å; H104-M120 WeakPolarHBondContact O-CA 3.42Å; T112-M120 CarbonylContact C-O 3.5Å; T112-M120 VanDerWaalsContact CA-O 3.3Å; T112-M120 WeakPolarHBondContact CA-O 3.17Å; V113-M120 HydrophobicContact CB-CE 3.73Å; V113-M120 HydrophobicContact CG1-CE 3.55Å; V113-M120 PolarHBondContact N-O 2.94Å; V113-M120 PolarHBondContact O-N 3.39Å; K115-M120 HydrophobicContact CD-CE 4.06Å; K115-M120 HydrophobicContact CG-CE 4.32Å |
| 121 | M | 96.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.6 | -176.6 | 65.3 | -177.1 | 74.1 | 0 | 0 | 112.5 | F103 H104 A105 S106 T112 F134 F139 | F103-M121 HydrophobicContact CB-CE 4.31Å; F103-M121 HydrophobicContact CD1-CE 3.45Å; F103-M121 VanDerWaalsContact CD1-CE 3.45Å; F103-M121 HydrophobicContact CE1-CE 4.18Å; F103-M121 HydrophobicContact CG-CE 4.28Å; H104-M121 PolarHBondContact O-N 3.15Å; A105-M121 WeakPolarHBondContact CA-O 3.39Å; A105-M121 HydrophobicContact CB-CG 3.88Å; A105-M121 HydrophobicContact CB-SD 4.41Å; S106-M121 PolarHBondContact N-O 3.32Å; S106-M121 VanDerWaalsContact N-O 3.12Å; T112-M121 HydrophobicContact CG2-CB 4.48Å; M121-F134 HydrophobicContact CE-CE2 3.83Å; M121-F134 HydrophobicContact CE-CZ 3.61Å; M121-F134 HydrophobicContact SD-CE2 3.42Å; M121-F134 WeakPolarHBondContact SD-CE2 3.47Å; M121-F134 HydrophobicContact SD-CZ 3.82Å; M121-F139 HydrophobicContact CE-CD1 3.82Å; M121-F139 HydrophobicContact CE-CE1 4.03Å; M121-F139 HydrophobicContact CE-CG 4.38Å; M121-F139 HydrophobicContact SD-CD1 4.25Å; M121-F139 HydrophobicContact SD-CE1 3.86Å; M121-F139 HydrophobicContact SD-CZ 4.19Å |
| 122 | P | 96.7 | Very high | 96.1 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 146.2 | 173.6 | 31.1 | -35.4 | 0 | 0 | 0 | 110.3 | Q109 T112 | Q109-P122 WeakPolarHBondContact O-CA 3.36Å; Q109-P122 WeakPolarHBondContact O-CB 3.24Å; T112-P122 WeakPolarHBondContact OG1-CD 3.45Å |
| 123 | M | 95.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | trans | -134.6 | 157.2 | 165 | 72.5 | -177.7 | -56.6 | 0 | 0 | 111.3 | F87 F89 A105 S106 T107 L125 V132 L203 | F87-M123 HydrophobicContact CD1-CE 4.47Å; F87-M123 HydrophobicContact CD1-SD 4.04Å; F87-M123 HydrophobicContact CE1-CE 4.3Å; F87-M123 HydrophobicContact CE1-SD 4.14Å; F89-M123 HydrophobicContact CD1-CE 4.29Å; F89-M123 HydrophobicContact CD1-SD 4.03Å; F89-M123 HydrophobicContact CE1-CE 3.78Å; F89-M123 HydrophobicContact CE1-SD 3.85Å; A105-M123 HydrophobicContact CB-SD 3.92Å; S106-M123 VanDerWaalsContact C-CG 3.5Å; S106-M123 PolarHBondContact O-N 3.34Å; T107-M123 HydrophobicContact CG2-CG 3.8Å; M123-L125 HydrophobicContact CE-CD2 3.94Å; M123-L125 HydrophobicContact CE-CG 4.3Å; M123-V132 HydrophobicContact CE-CG1 4.04Å; M123-V132 HydrophobicContact CE-CG2 3.87Å; M123-L203 HydrophobicContact CB-CD2 3.41Å; M123-L203 VanDerWaalsContact CB-CD2 3.41Å | ||
| 124 | K | 93.3 | Very high | 96.1 | Very high | 167 Ų | 167 | 47.2 Ų | 47.2 | 73% | 0.726 | 24% | 0.243 | S | C | * | . | trans | -120.9 | 146.3 | 170.8 | -65.5 | -171.9 | 177.8 | -171.9 | 0 | 108.8 | ||||
| 125 | L | 94.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | trans | -127 | 127.1 | 171.2 | -66.7 | 174.9 | 0 | 0 | 0 | 106.5 | L80 N82 F87 T107 M123 N130 V132 | L80-L125 HydrophobicContact CD1-CD1 3.77Å; L80-L125 HydrophobicContact CD1-CD2 4.07Å; N82-L125 HydrophobicContact CB-CB 3.97Å; N82-L125 HydrophobicContact CB-CD1 4.34Å; N82-L125 PolarHBondContact ND2-O 2.78Å; N82-L125 VanDerWaalsContact ND2-O 3.16Å; F87-L125 HydrophobicContact CB-CD1 4.17Å; F87-L125 HydrophobicContact CD1-CD1 3.68Å; F87-L125 HydrophobicContact CE1-CD1 4.44Å; F87-L125 HydrophobicContact CG-CD1 4.12Å; T107-L125 HydrophobicContact CG2-CD1 4.13Å; T107-L125 HydrophobicContact CG2-CG 4.22Å; M123-L125 HydrophobicContact CE-CD2 3.94Å; M123-L125 HydrophobicContact CE-CG 4.3Å; L125-N130 HydrophobicContact CD2-CB 3.92Å; L125-V132 HydrophobicContact CD2-CG2 3.68Å | ||
| 126 | D | 94.6 | Very high | 96.1 | Very high | 59 Ų | 59 | 40 Ų | 40 | 32% | 0.316 | 21% | 0.208 | S | C | . | . | trans | -69.8 | 167.9 | 170.6 | -69.8 | -28.2 | 0 | 0 | 0 | 109.4 | N82 N130 H198 H201 | N82-D126 WeakPolarHBondContact CB-O 3.48Å; N82-D126 PolarHBondContact ND2-O 3.05Å; D126-N130 PolarHBondContact N-OD1 3.47Å; D126-N130 PolarHBondContact O-ND2 3.02Å; D126-H198 HydrophobicContact CB-CB 3.84Å; D126-H198 VanDerWaalsContact CB-CG 3.41Å; D126-H198 WeakPolarHBondContact OD2-CB 3.05Å; D126-H198 IonicContact OD2-CE1 3.86Å; D126-H198 IonicContact OD2-CG 2.88Å; D126-H198 IonicContact OD2-ND1 2.74Å; D126-H198 PolarHBondContact OD2-ND1 2.92Å; D126-H201 PolarHBondContact N-NE2 2.89Å; D126-H201 IonicContact OD1-CE1 3.35Å; D126-H201 PolarHBondContact OD1-CE1 3.09Å; D126-H201 IonicContact OD1-NE2 2.73Å; D126-H201 PolarHBondContact OD1-NE2 2.9Å; D126-H201 IonicContact OD2-CE1 3.02Å; D126-H201 PolarHBondContact OD2-CE1 3.49Å; D126-H201 IonicContact OD2-NE2 3.49Å; D126-H201 PolarHBondContact OD2-NE2 3.45Å | ||
| 127 | E | 92.8 | Very high | 96.2 | Very high | 144 Ų | 144 | 37.1 Ų | 37.1 | 67% | 0.673 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -64.5 | 142.7 | 174.7 | -174.1 | 171.9 | -169.9 | 0 | 0 | 110.5 | ||
| 128 | G | 94.5 | Very high | 96.2 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.7 | -140.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K81 N82 N130 | K81-G128 CarbonylContact C-O 3.51Å; K81-G128 WeakPolarHBondContact CA-O 3.45Å; N82-G128 PolarHBondContact N-O 2.91Å; G128-N130 PolarHBondContact O-ND2 3.15Å |
| 129 | W | 96.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128.4 | -172.6 | -76.2 | 98.2 | 0 | 0 | 0 | 112.9 | D39 I42 V46 V79 L80 K81 R163 L183 H198 | D39-W129 HydrophobicContact CB-CZ2 4.3Å; I42-W129 HydrophobicContact CD1-CH2 3.96Å; I42-W129 HydrophobicContact CD1-CZ2 3.52Å; I42-W129 HydrophobicContact CG1-CZ2 3.83Å; I42-W129 HydrophobicContact CG2-CD2 4.43Å; I42-W129 HydrophobicContact CG2-CZ2 4.2Å; I42-W129 VanDerWaalsContact CG2-NE1 3.31Å; V46-W129 HydrophobicContact CB-CH2 4.46Å; V46-W129 HydrophobicContact CG1-CH2 3.53Å; V46-W129 HydrophobicContact CG1-CZ2 3.83Å; V79-W129 HydrophobicContact CG1-CE3 4.17Å; V79-W129 HydrophobicContact CG1-CZ3 4.37Å; L80-W129 VanDerWaalsContact C-CE3 3.45Å; K81-W129 HydrophobicContact CB-CD2 3.88Å; K81-W129 HydrophobicContact CB-CE3 3.98Å; K81-W129 HydrophobicContact CB-CG 4.47Å; K81-W129 HydrophobicContact CB-CH2 4.03Å; K81-W129 HydrophobicContact CB-CZ2 3.97Å; K81-W129 HydrophobicContact CB-CZ3 4.05Å; K81-W129 HydrophobicContact CD-CZ2 4.16Å; K81-W129 HydrophobicContact CG-CD2 4.41Å; W129-R163 HydrophobicContact CE3-CB 4.48Å; W129-R163 HydrophobicContact CH2-CB 3.76Å; W129-R163 HydrophobicContact CZ3-CB 3.46Å; W129-R163 VanDerWaalsContact CZ3-CB 3.46Å; W129-R163 HydrophobicContact CZ3-CG 4.42Å; W129-L183 HydrophobicContact CB-CD2 3.71Å; W129-L183 HydrophobicContact CD2-CD2 3.82Å; W129-L183 HydrophobicContact CE3-CD2 4.04Å; W129-L183 HydrophobicContact CG-CD2 3.68Å; W129-H198 PolarHBondContact O-N 2.92Å |
| 130 | N | 96.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.1 | -176.5 | -70.2 | -101.6 | 0 | 0 | 0 | 110.3 | V79 L80 L125 D126 G128 H201 | V79-N130 WeakPolarHBondContact CA-O 3.2Å; L80-N130 PolarHBondContact N-O 2.66Å; L80-N130 PolarHBondContact O-N 2.73Å; L125-N130 HydrophobicContact CD2-CB 3.92Å; D126-N130 PolarHBondContact N-OD1 3.47Å; D126-N130 PolarHBondContact O-ND2 3.02Å; G128-N130 PolarHBondContact O-ND2 3.15Å; N130-H201 PolarHBondContact OD1-CD2 3.08Å; N130-H201 PolarHBondContact OD1-NE2 3.19Å |
| 131 | Q | 95.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 99 | 167.7 | -176.2 | -179.5 | -14.8 | 0 | 0 | 109 | V77 V79 Q133 H199 | V77-Q131 HydrophobicContact CG1-CG 3.64Å; V79-Q131 HydrophobicContact CG2-CG 4.38Å; Q131-Q133 HydrophobicContact CG-CG 4.4Å; Q131-H199 PolarHBondContact OE1-ND1 3.36Å |
| 132 | V | 95.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.2 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | V77 I78 L80 F89 M123 L125 L203 | V77-V132 WeakPolarHBondContact CA-O 3.22Å; I78-V132 HydrophobicContact CB-CB 4.35Å; I78-V132 PolarHBondContact N-O 3.41Å; I78-V132 PolarHBondContact O-N 3.48Å; L80-V132 HydrophobicContact CD2-CG2 4.11Å; F89-V132 HydrophobicContact CE1-CG1 4.08Å; F89-V132 HydrophobicContact CZ-CG1 4.31Å; M123-V132 HydrophobicContact CE-CG1 4.04Å; M123-V132 HydrophobicContact CE-CG2 3.87Å; L125-V132 HydrophobicContact CD2-CG2 3.68Å; V132-L203 HydrophobicContact CG1-CD1 3.93Å; V132-L203 HydrophobicContact CG1-CG 4.39Å |
| 133 | Q | 95.9 | Very high | 96.3 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 12% | 0.117 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.3 | 174.5 | -60.4 | -174.9 | 0.3 | 0 | 0 | 109.9 | V77 Q131 H201 L203 | V77-Q133 HydrophobicContact CG1-CG 4.41Å; V77-Q133 HydrophobicContact CG2-CG 4.28Å; Q131-Q133 HydrophobicContact CG-CG 4.4Å; Q133-H201 PolarHBondContact N-O 2.85Å; Q133-L203 PolarHBondContact O-N 3.39Å |
| 134 | F | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 106.3 | -175.2 | -162.7 | -118 | 0 | 0 | 0 | 110.8 | L76 F89 V91 F103 M121 L136 F139 L203 | L76-F134 HydrophobicContact CB-CB 4.24Å; L76-F134 PolarHBondContact N-O 3.24Å; L76-F134 PolarHBondContact O-N 3.25Å; F89-F134 HydrophobicContact CE2-CD1 4.37Å; F89-F134 HydrophobicContact CE2-CG 4.44Å; F89-F134 HydrophobicContact CZ-CD2 4.45Å; F89-F134 HydrophobicContact CZ-CG 4.33Å; V91-F134 HydrophobicContact CG2-CD1 4.34Å; V91-F134 HydrophobicContact CG2-CE1 4.39Å; F103-F134 HydrophobicContact CB-CE1 3.87Å; F103-F134 HydrophobicContact CB-CZ 3.83Å; F103-F134 HydrophobicContact CD1-CZ 4.17Å; F103-F134 HydrophobicContact CD2-CE1 4.34Å; F103-F134 HydrophobicContact CG-CE1 4.05Å; F103-F134 AromaticContact CG-CZ 3.96Å; F103-F134 HydrophobicContact CG-CZ 3.96Å; M121-F134 HydrophobicContact CE-CE2 3.83Å; M121-F134 HydrophobicContact CE-CZ 3.61Å; M121-F134 HydrophobicContact SD-CE2 3.42Å; M121-F134 WeakPolarHBondContact SD-CE2 3.47Å; M121-F134 HydrophobicContact SD-CZ 3.82Å; F134-L136 HydrophobicContact CD1-CD2 3.39Å; F134-L136 HydrophobicContact CD1-CG 3.97Å; F134-L136 HydrophobicContact CE1-CD2 3.44Å; F134-L136 VanDerWaalsContact CE1-CD2 3.44Å; F134-L136 HydrophobicContact CE1-CG 4.4Å; F134-L136 PolarHBondContact O-N 2.91Å; F134-F139 AromaticContact CD2-CD2 3.58Å; F134-F139 HydrophobicContact CD2-CD2 3.58Å; F134-F139 AromaticContact CD2-CE2 3.41Å; F134-F139 HydrophobicContact CD2-CE2 3.41Å; F134-F139 VanDerWaalsContact CD2-CE2 3.41Å; F134-F139 HydrophobicContact CD2-CZ 4.23Å; F134-F139 HydrophobicContact CE1-CD2 4.32Å; F134-F139 HydrophobicContact CE2-CD1 4.24Å; F134-F139 AromaticContact CE2-CD2 3.22Å; F134-F139 HydrophobicContact CE2-CD2 3.22Å; F134-F139 HydrophobicContact CE2-CE1 4.23Å; F134-F139 AromaticContact CE2-CE2 3.25Å; F134-F139 HydrophobicContact CE2-CE2 3.25Å; F134-F139 AromaticContact CE2-CG 3.78Å; F134-F139 HydrophobicContact CE2-CG 3.78Å; F134-F139 AromaticContact CE2-CZ 3.78Å; F134-F139 HydrophobicContact CE2-CZ 3.78Å; F134-F139 HydrophobicContact CG-CD2 4.29Å; F134-F139 HydrophobicContact CG-CE2 4.41Å; F134-F139 HydrophobicContact CZ-CB 4.22Å; F134-F139 HydrophobicContact CZ-CD1 4.46Å; F134-F139 AromaticContact CZ-CD2 3.64Å; F134-F139 HydrophobicContact CZ-CD2 3.64Å; F134-F139 HydrophobicContact CZ-CE2 4.14Å; F134-F139 AromaticContact CZ-CG 3.85Å; F134-F139 HydrophobicContact CZ-CG 3.85Å; F134-L203 HydrophobicContact CB-CD1 4.43Å; F134-L203 HydrophobicContact CD2-CB 3.97Å; F134-L203 HydrophobicContact CD2-CD1 3.19Å; F134-L203 HydrophobicContact CD2-CG 4.14Å; F134-L203 HydrophobicContact CE2-CB 4.3Å; F134-L203 HydrophobicContact CE2-CD1 3.64Å; F134-L203 HydrophobicContact CG-CD1 4.11Å |
| 135 | D | 97.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 19% | 0.193 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 93 | 177.3 | -173.5 | -22.8 | 0 | 0 | 0 | 110.2 | I75 A137 D138 F139 | I75-D135 HydrophobicContact CD1-CB 3.72Å; I75-D135 VanDerWaalsContact CD1-CG 3.46Å; D135-A137 VanDerWaalsContact C-N 3.26Å; D135-A137 PolarHBondContact O-N 2.89Å; D135-A137 PolarHBondContact OD1-N 3.38Å; D135-A137 VanDerWaalsContact OD1-N 3.15Å; D135-D138 HydrophobicContact CB-CB 3.84Å; D135-D138 PolarHBondContact O-N 2.81Å; D135-D138 WeakPolarHBondContact OD1-CB 3.38Å; D135-D138 PolarHBondContact OD1-N 2.93Å; D135-D138 WeakPolarHBondContact OD2-CB 3.49Å; D135-F139 WeakPolarHBondContact O-CB 3.09Å; D135-F139 WeakPolarHBondContact O-CD2 3.49Å; D135-F139 PolarHBondContact O-N 2.85Å |
| 136 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -34.2 | -176.3 | -65.2 | 162.1 | 0 | 0 | 0 | 112 | P74 L76 V91 I93 F134 T140 Y148 T151 F167 | P74-L136 VanDerWaalsContact O-CB 3.23Å; P74-L136 WeakPolarHBondContact O-CB 3.43Å; P74-L136 WeakPolarHBondContact O-CG 3.48Å; P74-L136 PolarHBondContact O-N 3.12Å; L76-L136 HydrophobicContact CB-CD1 4.19Å; V91-L136 HydrophobicContact CB-CD2 4.05Å; V91-L136 HydrophobicContact CG1-CD1 4.31Å; V91-L136 HydrophobicContact CG1-CD2 3.64Å; V91-L136 HydrophobicContact CG2-CD2 4.39Å; I93-L136 HydrophobicContact CG2-CD2 3.84Å; F134-L136 HydrophobicContact CD1-CD2 3.39Å; F134-L136 HydrophobicContact CD1-CG 3.97Å; F134-L136 HydrophobicContact CE1-CD2 3.44Å; F134-L136 VanDerWaalsContact CE1-CD2 3.44Å; F134-L136 HydrophobicContact CE1-CG 4.4Å; F134-L136 PolarHBondContact O-N 2.91Å; L136-T140 WeakPolarHBondContact O-CB 3.14Å; L136-T140 PolarHBondContact O-N 3.3Å; L136-T140 PolarHBondContact O-OG1 3.3Å; L136-Y148 HydrophobicContact CB-CD2 3.83Å; L136-Y148 HydrophobicContact CB-CE2 3.75Å; L136-Y148 HydrophobicContact CB-CG 4.41Å; L136-Y148 HydrophobicContact CD1-CE2 3.94Å; L136-Y148 HydrophobicContact CG-CE2 4.42Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.38Å; L136-F167 HydrophobicContact CD1-CD1 4.43Å; L136-F167 HydrophobicContact CD1-CE1 3.97Å |
| 137 | A | 98.1 | Very high | 97 | Very high | 30 Ų | 30 | 34 Ų | 34 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.7 | -45.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P74 D135 T140 R141 | P74-A137 HydrophobicContact CB-CB 3.77Å; D135-A137 VanDerWaalsContact C-N 3.26Å; D135-A137 PolarHBondContact O-N 2.89Å; D135-A137 PolarHBondContact OD1-N 3.38Å; D135-A137 VanDerWaalsContact OD1-N 3.15Å; A137-T140 PolarHBondContact O-N 2.88Å; A137-R141 WeakPolarHBondContact O-CB 3.5Å; A137-R141 PolarHBondContact O-N 3.02Å |
| 138 | D | 98 | Very high | 97.3 | Very high | 26 Ų | 26 | 28 Ų | 28 | 14% | 0.139 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68 | -43.4 | 178.6 | -176.1 | 46 | 0 | 0 | 0 | 112.8 | D135 R141 R142 | D135-D138 HydrophobicContact CB-CB 3.84Å; D135-D138 PolarHBondContact O-N 2.81Å; D135-D138 WeakPolarHBondContact OD1-CB 3.38Å; D135-D138 PolarHBondContact OD1-N 2.93Å; D135-D138 WeakPolarHBondContact OD2-CB 3.49Å; D138-R141 PolarHBondContact O-N 3.35Å; D138-R141 IonicContact OD1-CZ 3.59Å; D138-R141 IonicContact OD1-NH1 3.55Å; D138-R141 IonicContact OD1-NH2 3.43Å; D138-R141 PolarHBondContact OD1-NH2 2.97Å; D138-R142 VanDerWaalsContact CG-CZ 3.45Å; D138-R142 PolarHBondContact O-N 3.16Å; D138-R142 IonicContact OD1-CZ 2.94Å; D138-R142 IonicContact OD1-NH1 2.6Å; D138-R142 PolarHBondContact OD1-NH1 3.35Å; D138-R142 IonicContact OD1-NH2 2.66Å; D138-R142 IonicContact OD2-CZ 3.97Å; D138-R142 IonicContact OD2-NH1 3.82Å; D138-R142 PolarHBondContact OD2-NH1 3.04Å; D138-R142 IonicContact OD2-NH2 2.68Å; D138-R142 PolarHBondContact OD2-NH2 3.16Å |
| 139 | F | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 173.6 | -82.1 | -70.6 | 0 | 0 | 0 | 112.8 | F103 M121 F134 D135 A143 L203 I206 | F103-F139 HydrophobicContact CD1-CB 4.45Å; F103-F139 HydrophobicContact CE1-CB 3.89Å; F103-F139 HydrophobicContact CZ-CB 3.95Å; M121-F139 HydrophobicContact CE-CD1 3.82Å; M121-F139 HydrophobicContact CE-CE1 4.03Å; M121-F139 HydrophobicContact CE-CG 4.38Å; M121-F139 HydrophobicContact SD-CD1 4.25Å; M121-F139 HydrophobicContact SD-CE1 3.86Å; M121-F139 HydrophobicContact SD-CZ 4.19Å; F134-F139 AromaticContact CD2-CD2 3.58Å; F134-F139 HydrophobicContact CD2-CD2 3.58Å; F134-F139 AromaticContact CD2-CE2 3.41Å; F134-F139 HydrophobicContact CD2-CE2 3.41Å; F134-F139 VanDerWaalsContact CD2-CE2 3.41Å; F134-F139 HydrophobicContact CD2-CZ 4.23Å; F134-F139 HydrophobicContact CE1-CD2 4.32Å; F134-F139 HydrophobicContact CE2-CD1 4.24Å; F134-F139 AromaticContact CE2-CD2 3.22Å; F134-F139 HydrophobicContact CE2-CD2 3.22Å; F134-F139 HydrophobicContact CE2-CE1 4.23Å; F134-F139 AromaticContact CE2-CE2 3.25Å; F134-F139 HydrophobicContact CE2-CE2 3.25Å; F134-F139 AromaticContact CE2-CG 3.78Å; F134-F139 HydrophobicContact CE2-CG 3.78Å; F134-F139 AromaticContact CE2-CZ 3.78Å; F134-F139 HydrophobicContact CE2-CZ 3.78Å; F134-F139 HydrophobicContact CG-CD2 4.29Å; F134-F139 HydrophobicContact CG-CE2 4.41Å; F134-F139 HydrophobicContact CZ-CB 4.22Å; F134-F139 HydrophobicContact CZ-CD1 4.46Å; F134-F139 AromaticContact CZ-CD2 3.64Å; F134-F139 HydrophobicContact CZ-CD2 3.64Å; F134-F139 HydrophobicContact CZ-CE2 4.14Å; F134-F139 AromaticContact CZ-CG 3.85Å; F134-F139 HydrophobicContact CZ-CG 3.85Å; D135-F139 WeakPolarHBondContact O-CB 3.09Å; D135-F139 WeakPolarHBondContact O-CD2 3.49Å; D135-F139 PolarHBondContact O-N 2.85Å; F139-A143 VanDerWaalsContact O-CB 3.23Å; F139-A143 WeakPolarHBondContact O-CB 3.42Å; F139-A143 PolarHBondContact O-N 2.99Å; F139-L203 HydrophobicContact CE2-CB 3.94Å; F139-L203 HydrophobicContact CZ-CB 3.7Å; F139-L203 WeakPolarHBondContact CZ-O 3.35Å; F139-I206 HydrophobicContact CD1-CD1 4.04Å; F139-I206 HydrophobicContact CD1-CG1 4Å; F139-I206 HydrophobicContact CE1-CG1 4.03Å |
| 140 | T | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 175.3 | -57.6 | 0 | 0 | 0 | 0 | 111 | I93 D95 L136 A137 R142 Y144 T146 | I93-T140 HydrophobicContact CD1-CG2 4.02Å; D95-T140 HydrophobicContact CB-CG2 4.22Å; L136-T140 WeakPolarHBondContact O-CB 3.14Å; L136-T140 PolarHBondContact O-N 3.3Å; L136-T140 PolarHBondContact O-OG1 3.3Å; A137-T140 PolarHBondContact O-N 2.88Å; T140-R142 PolarHBondContact O-N 3.16Å; T140-Y144 WeakPolarHBondContact O-CB 3.18Å; T140-Y144 PolarHBondContact O-N 3.07Å; T140-T146 WeakPolarHBondContact CG2-OG1 3.4Å |
| 141 | R | 98.2 | Very high | 97.7 | Very high | 140 Ų | 140 | 32.2 Ų | 32.2 | 53% | 0.528 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 178.2 | -171.5 | 176.9 | 69 | -99.1 | -3.8 | 112.2 | A137 D138 G145 T146 | A137-R141 WeakPolarHBondContact O-CB 3.5Å; A137-R141 PolarHBondContact O-N 3.02Å; D138-R141 PolarHBondContact O-N 3.35Å; D138-R141 IonicContact OD1-CZ 3.59Å; D138-R141 IonicContact OD1-NH1 3.55Å; D138-R141 IonicContact OD1-NH2 3.43Å; D138-R141 PolarHBondContact OD1-NH2 2.97Å; R141-G145 WeakPolarHBondContact O-CA 3.21Å; R141-G145 PolarHBondContact O-N 2.93Å; R141-T146 WeakPolarHBondContact CA-O 3.48Å; R141-T146 PolarHBondContact N-O 3.06Å |
| 142 | R | 97 | Very high | 97.8 | Very high | 71 Ų | 71 | 31.7 Ų | 31.7 | 27% | 0.268 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.8 | -42.1 | -179.2 | -76.9 | -165.9 | -64.8 | -102.8 | -9 | 113.8 | D138 T140 | D138-R142 VanDerWaalsContact CG-CZ 3.45Å; D138-R142 PolarHBondContact O-N 3.16Å; D138-R142 IonicContact OD1-CZ 2.94Å; D138-R142 IonicContact OD1-NH1 2.6Å; D138-R142 PolarHBondContact OD1-NH1 3.35Å; D138-R142 IonicContact OD1-NH2 2.66Å; D138-R142 IonicContact OD2-CZ 3.97Å; D138-R142 IonicContact OD2-NH1 3.82Å; D138-R142 PolarHBondContact OD2-NH1 3.04Å; D138-R142 IonicContact OD2-NH2 2.68Å; D138-R142 PolarHBondContact OD2-NH2 3.16Å; T140-R142 PolarHBondContact O-N 3.16Å |
| 143 | A | 97.4 | Very high | 98 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.8 | -32.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F103 V114 C119 F139 I206 | F103-A143 HydrophobicContact CE1-CB 4.07Å; F103-A143 HydrophobicContact CZ-CB 4.4Å; V114-A143 HydrophobicContact CG1-CB 4.25Å; V114-A143 WeakPolarHBondContact CG1-O 3.34Å; V114-A143 HydrophobicContact CG2-CB 4.48Å; C119-A143 HydrophobicContact CB-CB 4.47Å; F139-A143 VanDerWaalsContact O-CB 3.23Å; F139-A143 WeakPolarHBondContact O-CB 3.42Å; F139-A143 PolarHBondContact O-N 2.99Å; A143-I206 HydrophobicContact CB-CD1 3.75Å |
| 144 | Y | 98 | Very high | 98.1 | Very high | 35 Ų | 35 | 34.4 Ų | 34.4 | 14% | 0.137 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -132 | -9.9 | -166.2 | -55.3 | -68.3 | 0 | 0 | 0 | 115.2 | R101 F103 V114 K115 P116 A118 C119 T140 T146 | R101-Y144 HydrophobicContact CB-CD2 4.45Å; R101-Y144 HydrophobicContact CB-CE2 3.83Å; R101-Y144 HydrophobicContact CG-CD2 4.38Å; R101-Y144 HydrophobicContact CG-CE2 4.17Å; F103-Y144 AromaticContact CE1-CE2 3.94Å; F103-Y144 HydrophobicContact CE1-CE2 3.94Å; F103-Y144 HydrophobicContact CE2-CE2 4.33Å; F103-Y144 HydrophobicContact CZ-CD2 4.13Å; F103-Y144 AromaticContact CZ-CE2 3.61Å; F103-Y144 HydrophobicContact CZ-CE2 3.61Å; V114-Y144 HydrophobicContact CG1-CD1 4.36Å; V114-Y144 HydrophobicContact CG1-CE1 3.9Å; K115-Y144 WeakPolarHBondContact O-CE1 3.33Å; P116-Y144 WeakPolarHBondContact O-CE1 3.26Å; A118-Y144 PolarHBondContact N-OH 2.6Å; C119-Y144 HydrophobicContact CB-CE2 4.48Å; C119-Y144 WeakPolarHBondContact CB-OH 3.23Å; C119-Y144 PolarHBondContact N-OH 3.04Å; C119-Y144 VanDerWaalsContact N-OH 3.13Å; T140-Y144 WeakPolarHBondContact O-CB 3.18Å; T140-Y144 PolarHBondContact O-N 3.07Å; Y144-T146 PolarHBondContact O-N 3.13Å |
| 145 | G | 98 | Very high | 98.1 | Very high | 66 Ų | 66 | 34.8 Ų | 34.8 | 68% | 0.68 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 67.9 | 19.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R141 | R141-G145 WeakPolarHBondContact O-CA 3.21Å; R141-G145 PolarHBondContact O-N 2.93Å |
| 146 | T | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | trans | -116.5 | 166.2 | -176.5 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | D95 D96 Q97 T140 R141 Y144 | D95-T146 VanDerWaalsContact OD2-CB 3.3Å; D95-T146 WeakPolarHBondContact OD2-CB 3.34Å; D95-T146 WeakPolarHBondContact OD2-CG2 3.41Å; D95-T146 PolarHBondContact OD2-OG1 3.45Å; D96-T146 VanDerWaalsContact OD1-CB 3.25Å; D96-T146 WeakPolarHBondContact OD1-CB 3.37Å; Q97-T146 HydrophobicContact CG-CG2 3.77Å; T140-T146 WeakPolarHBondContact CG2-OG1 3.4Å; R141-T146 WeakPolarHBondContact CA-O 3.48Å; R141-T146 PolarHBondContact N-O 3.06Å; Y144-T146 PolarHBondContact O-N 3.13Å | ||
| 147 | T | 98.6 | Very high | 98.1 | Very high | 83 Ų | 83 | 33.8 Ų | 33.8 | 51% | 0.509 | 18% | 0.181 | S | C | . | . | trans | -96.4 | 129.3 | -178.6 | -48.1 | 0 | 0 | 0 | 0 | 110.7 | D95 D96 I149 | D95-T147 CarbonylContact C-O 3.56Å; D95-T147 WeakPolarHBondContact CA-O 3.37Å; D95-T147 WeakPolarHBondContact CB-O 3.42Å; D96-T147 VanDerWaalsContact CG-N 3.31Å; D96-T147 PolarHBondContact N-O 2.88Å; D96-T147 PolarHBondContact OD1-N 2.88Å; D96-T147 WeakPolarHBondContact OD2-CB 3.35Å; D96-T147 PolarHBondContact OD2-N 2.92Å; D96-T147 PolarHBondContact OD2-OG1 2.93Å; T147-I149 PolarHBondContact O-N 2.81Å | ||
| 148 | Y | 98.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 7% | 0.071 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 130.4 | 171.3 | 169.3 | -96.6 | 0 | 0 | 0 | 111.2 | V71 M73 P74 I93 L136 T151 | V71-Y148 PolarHBondContact O-OH 3.09Å; M73-Y148 PolarHBondContact O-OH 2.9Å; P74-Y148 HydrophobicContact CB-CD1 4.24Å; P74-Y148 HydrophobicContact CB-CE1 4.18Å; I93-Y148 HydrophobicContact CB-CD2 3.95Å; I93-Y148 HydrophobicContact CB-CE2 4.01Å; I93-Y148 HydrophobicContact CG2-CD2 3.9Å; I93-Y148 HydrophobicContact CG2-CE2 3.65Å; L136-Y148 HydrophobicContact CB-CD2 3.83Å; L136-Y148 HydrophobicContact CB-CE2 3.75Å; L136-Y148 HydrophobicContact CB-CG 4.41Å; L136-Y148 HydrophobicContact CD1-CE2 3.94Å; L136-Y148 HydrophobicContact CG-CE2 4.42Å; Y148-T151 PolarHBondContact OH-N 3.48Å; Y148-T151 PolarHBondContact OH-OG1 2.85Å |
| 149 | I | 98.5 | Very high | 98 | Very high | 71 Ų | 71 | 31.7 Ų | 31.7 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -54.3 | 175.6 | -60.8 | -60.9 | 0 | 0 | 0 | 110.6 | L94 D96 T147 | L94-I149 WeakPolarHBondContact O-CB 3.18Å; L94-I149 PolarHBondContact O-N 2.83Å; D96-I149 HydrophobicContact CB-CD1 4.14Å; D96-I149 HydrophobicContact CB-CG1 4.4Å; T147-I149 PolarHBondContact O-N 2.81Å |
| 150 | E | 98 | Very high | 98 | Very high | 36 Ų | 36 | 31.5 Ų | 31.5 | 17% | 0.168 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 156.6 | -179.5 | 61.1 | 175.3 | -140.6 | 0 | 0 | 113.3 | S68 A70 V71 I93 L94 | S68-E150 PolarHBondContact OG-OE1 3.43Å; A70-E150 WeakPolarHBondContact CA-OE2 3.4Å; V71-E150 CarbonylContact O-C 3.55Å; V71-E150 WeakPolarHBondContact O-CA 2.95Å; I93-E150 CarbonylContact C-O 3.55Å; I93-E150 VanDerWaalsContact CA-O 3.29Å; I93-E150 WeakPolarHBondContact CA-O 3.26Å; L94-E150 HydrophobicContact CB-CG 3.93Å; L94-E150 HydrophobicContact CD2-CG 4.29Å; L94-E150 PolarHBondContact N-O 3.11Å; L94-E150 PolarHBondContact O-N 3.28Å |
| 151 | T | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.8 | 164.4 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | L69 A70 V71 V91 L136 Y148 F167 | L69-T151 WeakPolarHBondContact CB-O 3.46Å; L69-T151 HydrophobicContact CD1-CG2 4.15Å; A70-T151 PolarHBondContact N-O 2.92Å; A70-T151 VanDerWaalsContact N-O 3.08Å; V71-T151 PolarHBondContact N-O 2.95Å; V71-T151 PolarHBondContact O-N 3.07Å; V91-T151 HydrophobicContact CG1-CG2 3.75Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.38Å; Y148-T151 PolarHBondContact OH-N 3.48Å; Y148-T151 PolarHBondContact OH-OG1 2.85Å; T151-F167 HydrophobicContact CG2-CE1 4.08Å; T151-F167 HydrophobicContact CG2-CZ 3.89Å; T151-F167 WeakPolarHBondContact OG1-CE1 3.28Å |
| 152 | V | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -43.8 | -179.4 | 179.6 | 0 | 0 | 0 | 0 | 111 | S68 L69 Q92 L94 | S68-V152 WeakPolarHBondContact CA-O 3.27Å; L69-V152 PolarHBondContact N-O 2.9Å; Q92-V152 HydrophobicContact CB-CB 4.49Å; Q92-V152 HydrophobicContact CG-CB 4.35Å; Q92-V152 PolarHBondContact O-N 2.78Å; L94-V152 HydrophobicContact CB-CG2 3.91Å |
| 153 | K | 98.2 | Very high | 98 | Very high | 83 Ų | 83 | 24.7 Ų | 24.7 | 36% | 0.361 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 145.9 | -174.7 | -177.2 | 177.4 | -71.8 | -170.1 | 0 | 111.2 | T60 C61 Q92 | T60-K153 HydrophobicContact CG2-CD 3.66Å; T60-K153 HydrophobicContact CG2-CG 3.68Å; C61-K153 CarbonylContact O-C 3.54Å; C61-K153 VanDerWaalsContact O-CA 3.3Å; C61-K153 WeakPolarHBondContact O-CA 3.16Å; C61-K153 WeakPolarHBondContact O-CG 3.27Å; Q92-K153 HydrophobicContact CB-CB 4.05Å; Q92-K153 PolarHBondContact N-O 3.38Å; Q92-K153 PolarHBondContact O-N 2.91Å |
| 154 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.2 | 173.9 | 173.8 | 62.1 | 0 | 0 | 0 | 109.2 | W25 T60 C61 L69 L76 F89 E90 V91 I156 V165 | W25-L154 HydrophobicContact CH2-CD2 3.69Å; W25-L154 HydrophobicContact CH2-CG 4Å; W25-L154 HydrophobicContact CZ2-CD2 4.41Å; W25-L154 HydrophobicContact CZ3-CG 4.42Å; T60-L154 CarbonylContact C-O 3.49Å; T60-L154 WeakPolarHBondContact CA-O 3.41Å; C61-L154 PolarHBondContact N-O 2.85Å; C61-L154 PolarHBondContact O-N 2.87Å; L69-L154 HydrophobicContact CD1-CB 4.21Å; L76-L154 HydrophobicContact CD1-CD2 4.04Å; L76-L154 HydrophobicContact CD2-CD1 3.93Å; F89-L154 HydrophobicContact CD2-CD1 4.46Å; E90-L154 CarbonylContact O-C 3.49Å; E90-L154 WeakPolarHBondContact O-CA 3.24Å; E90-L154 WeakPolarHBondContact O-CD1 3.41Å; V91-L154 HydrophobicContact CG2-CD1 3.86Å; L154-I156 HydrophobicContact CD1-CG1 4.46Å; L154-I156 HydrophobicContact CG-CG1 4.44Å; L154-V165 HydrophobicContact CD2-CG1 3.54Å |
| 155 | S | 98.2 | Very high | 98 | Very high | 9 Ų | 9 | 23 Ų | 23 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.2 | 171.2 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | I59 T60 F89 E90 | I59-S155 CarbonylContact O-C 3.53Å; I59-S155 VanDerWaalsContact O-CA 3.25Å; I59-S155 WeakPolarHBondContact O-CA 3.29Å; T60-S155 PolarHBondContact OG1-OG 3.04Å; F89-S155 CarbonylContact C-O 3.57Å; F89-S155 VanDerWaalsContact CA-O 3.27Å; F89-S155 WeakPolarHBondContact CA-O 3.48Å; F89-S155 WeakPolarHBondContact CB-O 3.47Å; E90-S155 PolarHBondContact N-O 3.23Å; E90-S155 PolarHBondContact O-N 3.31Å |
| 156 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.3 | 176.3 | -62 | 177.7 | 0 | 0 | 0 | 107.8 | W25 I49 Y58 I59 I78 F87 F89 L154 L162 V165 | W25-I156 HydrophobicContact CH2-CD1 3.92Å; W25-I156 HydrophobicContact CH2-CG1 4.38Å; W25-I156 HydrophobicContact CZ3-CD1 4.28Å; W25-I156 HydrophobicContact CZ3-CG1 4.35Å; I49-I156 HydrophobicContact CD1-CG2 4.14Å; Y58-I156 VanDerWaalsContact CA-O 3.26Å; Y58-I156 WeakPolarHBondContact CA-O 3.49Å; Y58-I156 VanDerWaalsContact CB-O 3.28Å; Y58-I156 WeakPolarHBondContact CB-O 3.3Å; I59-I156 HydrophobicContact CG1-CB 4.04Å; I59-I156 PolarHBondContact N-O 2.62Å; I59-I156 PolarHBondContact O-N 3.19Å; I78-I156 HydrophobicContact CG2-CD1 4.3Å; F87-I156 HydrophobicContact CE2-CG2 3.83Å; F87-I156 HydrophobicContact CZ-CG2 4.08Å; F89-I156 HydrophobicContact CB-CG1 4.43Å; L154-I156 HydrophobicContact CD1-CG1 4.46Å; L154-I156 HydrophobicContact CG-CG1 4.44Å; I156-L162 HydrophobicContact CD1-CD1 3.97Å; I156-L162 HydrophobicContact CD1-CD2 3.71Å; I156-V165 HydrophobicContact CD1-CG2 3.55Å |
| 157 | H | 98.1 | Very high | 97.8 | Very high | 15 Ų | 15 | 19.9 Ų | 19.9 | 7% | 0.069 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 171 | -177.1 | -60.1 | 109.1 | 0 | 0 | 0 | 112.7 | I54 Y58 S88 | I54-H157 HydrophobicContact CB-CB 4.46Å; I54-H157 WeakPolarHBondContact O-CB 3.49Å; I54-H157 PolarHBondContact O-CD2 2.62Å; I54-H157 VanDerWaalsContact O-CD2 3.28Å; Y58-H157 AromaticContact CG-CD2 3.99Å; S88-H157 VanDerWaalsContact O-CB 3.27Å; S88-H157 WeakPolarHBondContact O-CB 3.45Å; S88-H157 PolarHBondContact O-N 3.44Å; S88-H157 PolarHBondContact O-ND1 3.08Å; S88-H157 PolarHBondContact OG-ND1 2.88Å |
| 158 | A | 97 | Very high | 97.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -59.1 | 167.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I49 T57 | I49-A158 VanDerWaalsContact CG2-CA 3.48Å; I49-A158 HydrophobicContact CG2-CB 4Å; T57-A158 HydrophobicContact CG2-CB 4.32Å; T57-A158 VanDerWaalsContact O-CB 3.3Å; T57-A158 WeakPolarHBondContact O-CB 3.38Å; T57-A158 PolarHBondContact O-N 2.82Å |
| 159 | N | 96.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 18.6 Ų | 18.6 | 6% | 0.064 | 9% | 0.088 | C | C | . | . | S | Bend | trans | 75.4 | 41 | 177.6 | -51.2 | -40.7 | 0 | 0 | 0 | 115.5 | I49 G51 I54 K85 Y86 | I49-N159 VanDerWaalsContact O-CA 3.29Å; I49-N159 WeakPolarHBondContact O-CA 3.21Å; I49-N159 PolarHBondContact O-N 2.92Å; G51-N159 PolarHBondContact N-OD1 2.98Å; G51-N159 PolarHBondContact O-OD1 2.86Å; I54-N159 WeakPolarHBondContact CG2-ND2 3.15Å; K85-N159 HydrophobicContact CB-CB 3.6Å; K85-N159 HydrophobicContact CD-CB 4.21Å; Y86-N159 VanDerWaalsContact O-CB 3.24Å; Y86-N159 WeakPolarHBondContact O-CB 3.3Å; Y86-N159 PolarHBondContact O-ND2 2.81Å |
| 160 | C | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 164.4 | 169.4 | 71.1 | 0 | 0 | 0 | 0 | 111.5 | I49 L80 F87 | I49-C160 PolarHBondContact N-O 3.44Å; I49-C160 PolarHBondContact O-N 3.1Å; L80-C160 HydrophobicContact CB-CB 4.48Å; L80-C160 HydrophobicContact CD1-CB 4.24Å; F87-C160 HydrophobicContact CD2-CB 3.74Å; F87-C160 HydrophobicContact CE2-CB 3.79Å; F87-C160 VanDerWaalsContact CE2-SG 3.6Å |
| 161 | R | 98.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 21.9 Ų | 21.9 | 14% | 0.143 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.2 | 157.8 | -66.3 | 168.4 | 178.5 | 174.4 | 2.4 | 108.7 | D39 V46 L47 E48 L80 K81 L83 | D39-R161 VanDerWaalsContact OD2-CD 3.27Å; D39-R161 WeakPolarHBondContact OD2-CD 3.32Å; D39-R161 IonicContact OD2-CZ 3.35Å; D39-R161 IonicContact OD2-NE 3.67Å; D39-R161 IonicContact OD2-NH1 3.08Å; D39-R161 PolarHBondContact OD2-NH1 2.8Å; V46-R161 HydrophobicContact CB-CB 4.18Å; V46-R161 HydrophobicContact CG2-CB 3.92Å; V46-R161 HydrophobicContact CG2-CG 4.1Å; L47-R161 CarbonylContact O-C 3.53Å; L47-R161 WeakPolarHBondContact O-CA 3.3Å; E48-R161 HydrophobicContact CB-CG 4.1Å; E48-R161 HydrophobicContact CG-CG 4.11Å; E48-R161 IonicContact OE2-CZ 3.16Å; E48-R161 IonicContact OE2-NE 3.44Å; E48-R161 PolarHBondContact OE2-NE 2.85Å; E48-R161 IonicContact OE2-NH2 3.81Å; E48-R161 PolarHBondContact OE2-NH2 2.9Å; E48-R161 VanDerWaalsContact OE2-NH2 3.08Å; L80-R161 CarbonylContact C-O 3.53Å; L80-R161 VanDerWaalsContact CA-O 3.24Å; L80-R161 WeakPolarHBondContact CA-O 3.44Å; K81-R161 HydrophobicContact CB-CB 4.03Å; K81-R161 PolarHBondContact N-O 2.74Å; K81-R161 PolarHBondContact O-N 3.06Å; L83-R161 HydrophobicContact CD1-CG 4.36Å; L83-R161 HydrophobicContact CD2-CG 4.05Å |
| 162 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.2 | -175.4 | -170.3 | 66.6 | 0 | 0 | 0 | 110.5 | F14 L47 I59 I78 L80 I156 V165 | F14-L162 HydrophobicContact CD1-CD2 3.62Å; F14-L162 HydrophobicContact CD1-CG 3.74Å; F14-L162 HydrophobicContact CD2-CD2 4.32Å; F14-L162 HydrophobicContact CE1-CB 4.06Å; F14-L162 HydrophobicContact CE1-CD2 3.66Å; F14-L162 HydrophobicContact CE1-CG 3.55Å; F14-L162 HydrophobicContact CE2-CD2 4.34Å; F14-L162 HydrophobicContact CG-CD2 3.98Å; F14-L162 HydrophobicContact CZ-CB 4.43Å; F14-L162 HydrophobicContact CZ-CD2 4.04Å; F14-L162 HydrophobicContact CZ-CG 4.24Å; L47-L162 HydrophobicContact CB-CB 4.43Å; L47-L162 PolarHBondContact N-O 2.86Å; L47-L162 PolarHBondContact O-N 3.37Å; I59-L162 HydrophobicContact CD1-CD2 3.87Å; I78-L162 HydrophobicContact CG2-CD1 3.59Å; L80-L162 HydrophobicContact CB-CD1 4.26Å; I156-L162 HydrophobicContact CD1-CD1 3.97Å; I156-L162 HydrophobicContact CD1-CD2 3.71Å; L162-V165 HydrophobicContact CD1-CG2 3.81Å; L162-V165 HydrophobicContact CD2-CG2 3.88Å; L162-V165 HydrophobicContact CG-CG2 4.16Å |
| 163 | R | 97.3 | Very high | 96.2 | Very high | 30 Ų | 30 | 25.1 Ų | 25.1 | 11% | 0.113 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -50.4 | 178.4 | 174.1 | 60.2 | -179 | 178.9 | 0.6 | 112.1 | Y15 S16 V17 S44 Y45 V79 W129 L183 | Y15-R163 PolarHBondContact OH-NH2 3.42Å; S16-R163 PolarHBondContact N-O 3.42Å; S16-R163 VanDerWaalsContact N-O 3.08Å; S16-R163 WeakPolarHBondContact OG-CD 3.27Å; S16-R163 PolarHBondContact OG-NH1 3.31Å; S16-R163 PolarHBondContact OG-O 3.3Å; S16-R163 VanDerWaalsContact OG-O 3.11Å; V17-R163 VanDerWaalsContact CG2-NH2 3.31Å; S44-R163 PolarHBondContact OG-NH1 2.71Å; S44-R163 PolarHBondContact OG-NH2 2.73Å; Y45-R163 PolarHBondContact O-NH1 2.8Å; V79-R163 HydrophobicContact CB-CB 4.26Å; V79-R163 HydrophobicContact CG1-CB 4.02Å; V79-R163 HydrophobicContact CG1-CG 4.21Å; V79-R163 PolarHBondContact O-N 3.33Å; W129-R163 HydrophobicContact CE3-CB 4.48Å; W129-R163 HydrophobicContact CH2-CB 3.76Å; W129-R163 HydrophobicContact CZ3-CB 3.46Å; W129-R163 VanDerWaalsContact CZ3-CB 3.46Å; W129-R163 HydrophobicContact CZ3-CG 4.42Å; R163-L183 HydrophobicContact CG-CD1 4.13Å |
| 164 | R | 96.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 23.8 Ų | 23.8 | 6% | 0.057 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 144.8 | -174.8 | -167.2 | -177.5 | -78.4 | -74.5 | 2.5 | 110.9 | S12 F14 Y15 V79 Y166 D180 | S12-R164 PolarHBondContact OG-NH1 3.39Å; F14-R164 WeakPolarHBondContact O-CA 3.23Å; F14-R164 WeakPolarHBondContact O-CG 3.37Å; Y15-R164 VanDerWaalsContact CD2-CZ 3.42Å; Y15-R164 VanDerWaalsContact CD2-NH2 3.31Å; V79-R164 HydrophobicContact CB-CB 4.24Å; V79-R164 HydrophobicContact CG2-CB 4.29Å; V79-R164 PolarHBondContact N-O 2.97Å; V79-R164 PolarHBondContact O-N 2.89Å; R164-Y166 HydrophobicContact CG-CD1 3.86Å; R164-D180 PolarHBondContact NH2-O 3.05Å |
| 165 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 127 | 167.2 | -173.9 | 0 | 0 | 0 | 0 | 108 | V13 F14 W25 L76 V77 I78 L154 I156 L162 | V13-V165 HydrophobicContact CG2-CB 3.83Å; V13-V165 HydrophobicContact CG2-CG1 3.52Å; V13-V165 WeakPolarHBondContact CG2-O 3.43Å; V13-V165 PolarHBondContact N-O 3.37Å; F14-V165 HydrophobicContact CB-CB 3.84Å; F14-V165 HydrophobicContact CB-CG2 3.88Å; F14-V165 HydrophobicContact CD1-CG2 4.21Å; F14-V165 HydrophobicContact CG-CG2 4.36Å; F14-V165 PolarHBondContact N-O 2.88Å; F14-V165 PolarHBondContact O-N 3.18Å; W25-V165 HydrophobicContact CH2-CG2 4.45Å; W25-V165 HydrophobicContact CZ2-CB 4.46Å; W25-V165 HydrophobicContact CZ2-CG2 4.44Å; L76-V165 HydrophobicContact CD1-CG1 3.69Å; V77-V165 WeakPolarHBondContact O-CA 3.41Å; I78-V165 HydrophobicContact CG1-CG1 4.44Å; I78-V165 HydrophobicContact CG2-CG2 4.28Å; L154-V165 HydrophobicContact CD2-CG1 3.54Å; I156-V165 HydrophobicContact CD1-CG2 3.55Å; L162-V165 HydrophobicContact CD1-CG2 3.81Å; L162-V165 HydrophobicContact CD2-CG2 3.88Å; L162-V165 HydrophobicContact CG-CG2 4.16Å |
| 166 | Y | 96.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 161.9 | 178.6 | 65.4 | -85.5 | 0 | 0 | 0 | 111.6 | F10 L11 V77 R164 C168 Y181 | F10-Y166 AromaticContact CD1-CD2 3.84Å; F10-Y166 HydrophobicContact CD1-CD2 3.84Å; F10-Y166 AromaticContact CD1-CE2 3.69Å; F10-Y166 HydrophobicContact CD1-CE2 3.69Å; F10-Y166 HydrophobicContact CE1-CE2 4.05Å; L11-Y166 CarbonylContact O-C 3.51Å; L11-Y166 WeakPolarHBondContact O-CA 3.48Å; L11-Y166 WeakPolarHBondContact O-CB 3.49Å; V77-Y166 HydrophobicContact CB-CD1 4.03Å; V77-Y166 HydrophobicContact CB-CD2 4.2Å; V77-Y166 HydrophobicContact CB-CE1 3.59Å; V77-Y166 HydrophobicContact CB-CE2 3.76Å; V77-Y166 HydrophobicContact CB-CG 4.34Å; V77-Y166 VanDerWaalsContact CB-CZ 3.45Å; V77-Y166 HydrophobicContact CG1-CD1 4.38Å; V77-Y166 HydrophobicContact CG1-CE1 3.56Å; V77-Y166 HydrophobicContact CG1-CE2 4.35Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.34Å; V77-Y166 HydrophobicContact CG2-CD2 4.36Å; V77-Y166 HydrophobicContact CG2-CE1 4.39Å; V77-Y166 HydrophobicContact CG2-CE2 3.7Å; V77-Y166 PolarHBondContact N-O 2.99Å; V77-Y166 PolarHBondContact O-N 3.21Å; R164-Y166 HydrophobicContact CG-CD1 3.86Å; Y166-C168 HydrophobicContact CE2-CB 4.49Å; Y166-Y181 AromaticContact CD1-CD1 3.96Å; Y166-Y181 HydrophobicContact CD1-CD1 3.96Å; Y166-Y181 HydrophobicContact CD1-CE1 4.05Å; Y166-Y181 HydrophobicContact CD2-CD1 4.17Å; Y166-Y181 AromaticContact CD2-CE1 3.96Å; Y166-Y181 HydrophobicContact CD2-CE1 3.96Å; Y166-Y181 AromaticContact CE1-CD1 3.9Å; Y166-Y181 HydrophobicContact CE1-CD1 3.9Å; Y166-Y181 HydrophobicContact CE1-CE1 4.43Å; Y166-Y181 HydrophobicContact CE2-CD1 4.13Å; Y166-Y181 HydrophobicContact CE2-CE1 4.36Å; Y166-Y181 HydrophobicContact CG-CD1 4.07Å; Y166-Y181 AromaticContact CG-CE1 3.77Å; Y166-Y181 HydrophobicContact CG-CE1 3.77Å; Y166-Y181 AromaticContact CZ-CD1 3.97Å |
| 167 | F | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 151.7 | 170.2 | -61.5 | -101.2 | 0 | 0 | 0 | 110.4 | F10 L11 V13 V71 M73 I75 L76 L136 T151 | F10-F167 CarbonylContact C-O 3.57Å; F10-F167 WeakPolarHBondContact CA-O 3.45Å; L11-F167 HydrophobicContact CB-CB 4.44Å; L11-F167 PolarHBondContact N-O 2.76Å; L11-F167 PolarHBondContact O-N 2.77Å; V13-F167 HydrophobicContact CG1-CD2 4.01Å; V13-F167 HydrophobicContact CG1-CE2 3.89Å; V13-F167 HydrophobicContact CG2-CD2 4.3Å; V13-F167 HydrophobicContact CG2-CE2 3.88Å; V71-F167 HydrophobicContact CG1-CB 3.79Å; V71-F167 HydrophobicContact CG1-CD1 3.79Å; V71-F167 HydrophobicContact CG1-CD2 3.92Å; V71-F167 HydrophobicContact CG1-CE1 4.32Å; V71-F167 HydrophobicContact CG1-CE2 4.45Å; V71-F167 HydrophobicContact CG1-CG 3.57Å; V71-F167 HydrophobicContact CG2-CD2 4.48Å; M73-F167 HydrophobicContact CB-CB 3.66Å; M73-F167 HydrophobicContact SD-CB 4.14Å; I75-F167 CarbonylContact O-C 3.54Å; I75-F167 WeakPolarHBondContact O-CA 3.49Å; L76-F167 HydrophobicContact CB-CD1 4.12Å; L76-F167 HydrophobicContact CB-CE1 3.92Å; L76-F167 HydrophobicContact CD1-CD1 4.37Å; L76-F167 HydrophobicContact CD1-CE1 3.93Å; L76-F167 HydrophobicContact CD1-CE2 4.14Å; L76-F167 HydrophobicContact CD1-CZ 3.8Å; L76-F167 HydrophobicContact CG-CE1 4.41Å; L136-F167 HydrophobicContact CD1-CD1 4.43Å; L136-F167 HydrophobicContact CD1-CE1 3.97Å; T151-F167 HydrophobicContact CG2-CE1 4.08Å; T151-F167 HydrophobicContact CG2-CZ 3.89Å; T151-F167 WeakPolarHBondContact OG1-CE1 3.28Å |
| 168 | C | 96.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.8 | 173.3 | 50.9 | 0 | 0 | 0 | 0 | 112 | K9 F10 M73 P74 I75 Y166 R170 Y172 | K9-C168 VanDerWaalsContact O-CA 3.27Å; K9-C168 WeakPolarHBondContact O-CA 3.33Å; K9-C168 VanDerWaalsContact O-CB 3.28Å; K9-C168 WeakPolarHBondContact O-CB 3.48Å; F10-C168 HydrophobicContact CD1-CB 3.74Å; F10-C168 HydrophobicContact CE1-CB 3.97Å; M73-C168 WeakPolarHBondContact CB-O 3.18Å; P74-C168 WeakPolarHBondContact CD-O 3.34Å; I75-C168 WeakPolarHBondContact CB-O 3.28Å; I75-C168 PolarHBondContact N-O 3.17Å; I75-C168 VanDerWaalsContact N-O 3.15Å; I75-C168 PolarHBondContact O-N 3.04Å; Y166-C168 HydrophobicContact CE2-CB 4.49Å; C168-R170 PolarHBondContact SG-O 2.84Å; C168-Y172 HydrophobicContact CB-CD2 4.16Å; C168-Y172 HydrophobicContact CB-CE2 3.97Å |
| 169 | D | 94.6 | Very high | 92.5 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -70.5 | -30.5 | -177.3 | 63.2 | -34.8 | 0 | 0 | 0 | 113.2 | P74 Y172 | P74-D169 WeakPolarHBondContact CG-O 3.32Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.46Å; D169-Y172 VanDerWaalsContact OD1-CZ 3.29Å; D169-Y172 PolarHBondContact OD1-OH 2.82Å; D169-Y172 PolarHBondContact OD2-OH 3.49Å |
| 170 | R | 94.1 | Very high | 91.8 | Very high | 109 Ų | 109 | 52 Ų | 52 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -146.2 | 174 | 177.2 | 66.4 | 173.1 | -170.9 | -115.9 | 14.3 | 111.4 | C168 Y172 E176 | C168-R170 PolarHBondContact SG-O 2.84Å; R170-Y172 HydrophobicContact CG-CD2 4.07Å; R170-Y172 HydrophobicContact CG-CE1 4.31Å; R170-Y172 HydrophobicContact CG-CE2 3.55Å; R170-Y172 WeakPolarHBondContact O-CD2 3.48Å; R170-Y172 WeakPolarHBondContact O-CE2 3.41Å; R170-E176 IonicContact NH2-OE1 3.44Å; R170-E176 PolarHBondContact NH2-OE1 2.83Å |
| 171 | I | 92.7 | Very high | 91.1 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 34% | 0.344 | 26% | 0.258 | S | S | . | . | trans | -74.6 | 127.4 | 169.3 | -65 | 170 | 0 | 0 | 0 | 108.2 | I75 | I75-I171 HydrophobicContact CD1-CG1 4.07Å; I75-I171 HydrophobicContact CG1-CG1 4.16Å; I75-I171 HydrophobicContact CG2-CG1 4.07Å | ||
| 172 | Y | 90.8 | Very high | 90.4 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | trans | -107 | 141.4 | 176 | -72.1 | -91.7 | 0 | 0 | 0 | 109.9 | K9 F10 C168 D169 R170 E176 | K9-Y172 WeakPolarHBondContact CD-OH 3.49Å; F10-Y172 AromaticContact CE1-CD2 3.62Å; F10-Y172 HydrophobicContact CE1-CD2 3.62Å; F10-Y172 AromaticContact CE1-CE2 3.93Å; F10-Y172 HydrophobicContact CE1-CE2 3.93Å; F10-Y172 HydrophobicContact CE1-CG 4.09Å; F10-Y172 HydrophobicContact CZ-CD1 4.03Å; F10-Y172 AromaticContact CZ-CD2 3.65Å; F10-Y172 HydrophobicContact CZ-CD2 3.65Å; F10-Y172 HydrophobicContact CZ-CE1 4.12Å; F10-Y172 AromaticContact CZ-CE2 3.78Å; F10-Y172 HydrophobicContact CZ-CE2 3.78Å; F10-Y172 AromaticContact CZ-CG 3.8Å; F10-Y172 HydrophobicContact CZ-CG 3.8Å; C168-Y172 HydrophobicContact CB-CD2 4.16Å; C168-Y172 HydrophobicContact CB-CE2 3.97Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.46Å; D169-Y172 VanDerWaalsContact OD1-CZ 3.29Å; D169-Y172 PolarHBondContact OD1-OH 2.82Å; D169-Y172 PolarHBondContact OD2-OH 3.49Å; R170-Y172 HydrophobicContact CG-CD2 4.07Å; R170-Y172 HydrophobicContact CG-CE1 4.31Å; R170-Y172 HydrophobicContact CG-CE2 3.55Å; R170-Y172 WeakPolarHBondContact O-CD2 3.48Å; R170-Y172 WeakPolarHBondContact O-CE2 3.41Å; Y172-E176 HydrophobicContact CD1-CB 3.88Å | ||
| 173 | S | 88 | Confident | 89.4 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 41% | 0.406 | 27% | 0.266 | S | S | . | . | trans | -74.8 | 162.3 | 168.8 | 76.2 | 0 | 0 | 0 | 0 | 111.1 | D175 E176 L177 | S173-D175 PolarHBondContact O-N 2.57Å; S173-E176 PolarHBondContact N-OE2 2.79Å; S173-E176 PolarHBondContact O-N 3.45Å; S173-E176 VanDerWaalsContact O-N 3.13Å; S173-E176 WeakPolarHBondContact OG-CG 3.31Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.11Å | ||
| 174 | E | 81.8 | Confident | 88.5 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -35.6 | 178.2 | -173 | 63.4 | -157.8 | 0 | 0 | 112.1 | L177 K182 H199 | E174-L177 PolarHBondContact O-N 3.08Å; E174-K182 WeakPolarHBondContact O-CE 3.5Å; E174-K182 PolarHBondContact O-NZ 3.3Å; E174-K182 WeakPolarHBondContact OE1-CB 3.19Å; E174-K182 WeakPolarHBondContact OE1-CD 2.9Å; E174-K182 WeakPolarHBondContact OE1-CG 2.99Å; E174-H199 IonicContact OE2-CE1 3.23Å; E174-H199 PolarHBondContact OE2-CE1 3.2Å; E174-H199 IonicContact OE2-ND1 2.7Å; E174-H199 PolarHBondContact OE2-ND1 3.35Å |
| 175 | D | 86.3 | Confident | 87.4 | Confident | 144 Ų | 144 | 62.5 Ų | 62.5 | 77% | 0.77 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -34 | -179.9 | -68.3 | -35.6 | 0 | 0 | 0 | 112.8 | S173 L177 K182 | S173-D175 PolarHBondContact O-N 2.57Å; D175-L177 VanDerWaalsContact C-N 3.33Å; D175-K182 PolarHBondContact O-NZ 3.06Å |
| 176 | E | 87.1 | Confident | 86 | Confident | 96 Ų | 96 | 64.3 Ų | 64.3 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17.9 | 177.8 | -65 | -179.9 | 114.2 | 0 | 0 | 113.4 | R170 Y172 S173 | R170-E176 IonicContact NH2-OE1 3.44Å; R170-E176 PolarHBondContact NH2-OE1 2.83Å; Y172-E176 HydrophobicContact CD1-CB 3.88Å; S173-E176 PolarHBondContact N-OE2 2.79Å; S173-E176 PolarHBondContact O-N 3.45Å; S173-E176 VanDerWaalsContact O-N 3.13Å; S173-E176 WeakPolarHBondContact OG-CG 3.31Å |
| 177 | L | 86 | Confident | 84 | Confident | 7 Ų | 7 | 72.4 Ų | 72.4 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -67.3 | 136.3 | -178.5 | -72.3 | 177.6 | 0 | 0 | 0 | 111.1 | F10 S173 E174 D175 K182 | F10-L177 HydrophobicContact CE1-CD2 3.75Å; F10-L177 HydrophobicContact CZ-CD2 3.97Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.11Å; E174-L177 PolarHBondContact O-N 3.08Å; D175-L177 VanDerWaalsContact C-N 3.33Å; L177-K182 HydrophobicContact CB-CG 4.01Å; L177-K182 WeakPolarHBondContact O-CE 3.35Å |
| 178 | P | 86.1 | Confident | 81.8 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | trans | -58.5 | 149.7 | 168.4 | -18.4 | 29.3 | 0 | 0 | 0 | 110.4 | F10 D180 Y181 K182 | F10-P178 HydrophobicContact CD2-CG 4.29Å; F10-P178 HydrophobicContact CE2-CG 3.88Å; P178-D180 PolarHBondContact O-N 2.71Å; P178-D180 VanDerWaalsContact O-N 3.08Å; P178-Y181 HydrophobicContact CB-CD2 4.03Å; P178-Y181 HydrophobicContact CG-CD2 4Å; P178-Y181 WeakPolarHBondContact O-CA 3.47Å; P178-Y181 WeakPolarHBondContact O-CB 3.42Å; P178-Y181 PolarHBondContact O-N 2.91Å; P178-K182 PolarHBondContact O-N 3.29Å | ||
| 179 | R | 82.2 | Confident | 79.3 | Confident | 203 Ų | 203 | 84.1 Ų | 84.1 | 77% | 0.766 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -50.8 | -39.7 | -177.4 | -67.7 | -177 | -177.3 | 174.7 | 0.4 | 113 | Y181 K182 Y184 | R179-Y181 PolarHBondContact O-N 3.23Å; R179-K182 PolarHBondContact O-N 3.43Å; R179-Y184 WeakPolarHBondContact O-CE2 3.26Å |
| 180 | D | 83.3 | Confident | 76.6 | Confident | 123 Ų | 123 | 88.6 Ų | 88.6 | 66% | 0.658 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -68.1 | -16.5 | -179.6 | -63.6 | -20.9 | 0 | 0 | 0 | 114.1 | R164 P178 | R164-D180 PolarHBondContact NH2-O 3.05Å; P178-D180 PolarHBondContact O-N 2.71Å; P178-D180 VanDerWaalsContact O-N 3.08Å |
| 181 | Y | 83 | Confident | 74 | Confident | 44 Ų | 44 | 88 Ų | 88 | 17% | 0.173 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -95.4 | -15.2 | 177.1 | -75 | -98.2 | 0 | 0 | 0 | 113.2 | F10 S12 Y166 P178 R179 | F10-Y181 HydrophobicContact CB-CE1 3.85Å; F10-Y181 HydrophobicContact CB-CE2 4.26Å; F10-Y181 WeakPolarHBondContact CB-OH 3.5Å; F10-Y181 HydrophobicContact CD1-CD1 4.32Å; F10-Y181 HydrophobicContact CD1-CE1 4.15Å; F10-Y181 HydrophobicContact CG-CE1 4.14Å; F10-Y181 HydrophobicContact CG-CE2 4.39Å; S12-Y181 WeakPolarHBondContact OG-CE1 3.37Å; S12-Y181 PolarHBondContact OG-OH 2.7Å; Y166-Y181 AromaticContact CD1-CD1 3.96Å; Y166-Y181 HydrophobicContact CD1-CD1 3.96Å; Y166-Y181 HydrophobicContact CD1-CE1 4.05Å; Y166-Y181 HydrophobicContact CD2-CD1 4.17Å; Y166-Y181 AromaticContact CD2-CE1 3.96Å; Y166-Y181 HydrophobicContact CD2-CE1 3.96Å; Y166-Y181 AromaticContact CE1-CD1 3.9Å; Y166-Y181 HydrophobicContact CE1-CD1 3.9Å; Y166-Y181 HydrophobicContact CE1-CE1 4.43Å; Y166-Y181 HydrophobicContact CE2-CD1 4.13Å; Y166-Y181 HydrophobicContact CE2-CE1 4.36Å; Y166-Y181 HydrophobicContact CG-CD1 4.07Å; Y166-Y181 AromaticContact CG-CE1 3.77Å; Y166-Y181 HydrophobicContact CG-CE1 3.77Å; Y166-Y181 AromaticContact CZ-CD1 3.97Å; P178-Y181 HydrophobicContact CB-CD2 4.03Å; P178-Y181 HydrophobicContact CG-CD2 4Å; P178-Y181 WeakPolarHBondContact O-CA 3.47Å; P178-Y181 WeakPolarHBondContact O-CB 3.42Å; P178-Y181 PolarHBondContact O-N 2.91Å; R179-Y181 PolarHBondContact O-N 3.23Å |
| 182 | K | 82.8 | Confident | 71.6 | Confident | 48 Ų | 48 | 91 Ų | 91 | 21% | 0.209 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -75.8 | 149.4 | 176.5 | -56.5 | -161.3 | -169.1 | -155 | 0 | 111.1 | E174 D175 L177 P178 R179 Y184 | E174-K182 WeakPolarHBondContact O-CE 3.5Å; E174-K182 PolarHBondContact O-NZ 3.3Å; E174-K182 WeakPolarHBondContact OE1-CB 3.19Å; E174-K182 WeakPolarHBondContact OE1-CD 2.9Å; E174-K182 WeakPolarHBondContact OE1-CG 2.99Å; D175-K182 PolarHBondContact O-NZ 3.06Å; L177-K182 HydrophobicContact CB-CG 4.01Å; L177-K182 WeakPolarHBondContact O-CE 3.35Å; P178-K182 PolarHBondContact O-N 3.29Å; R179-K182 PolarHBondContact O-N 3.43Å; K182-Y184 HydrophobicContact CB-CE1 4.45Å; K182-Y184 HydrophobicContact CB-CE2 3.83Å |
| 183 | L | 76.6 | Confident | 69.3 | Low | 22 Ų | 22 | 94.4 Ų | 94.4 | 12% | 0.115 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 117.6 | 173.2 | -171 | 71 | 0 | 0 | 0 | 109.2 | I42 V79 W129 R163 I197 | I42-L183 HydrophobicContact CD1-CD1 4.2Å; I42-L183 HydrophobicContact CG2-CD1 4.06Å; I42-L183 HydrophobicContact CG2-CD2 4.39Å; I42-L183 HydrophobicContact CG2-CG 4.29Å; V79-L183 HydrophobicContact CG1-CD2 4.41Å; W129-L183 HydrophobicContact CB-CD2 3.71Å; W129-L183 HydrophobicContact CD2-CD2 3.82Å; W129-L183 HydrophobicContact CE3-CD2 4.04Å; W129-L183 HydrophobicContact CG-CD2 3.68Å; R163-L183 HydrophobicContact CG-CD1 4.13Å; L183-I197 HydrophobicContact CD2-CD1 4.43Å |
| 184 | Y | 78.3 | Confident | 67.1 | Low | 138 Ų | 138 | 96.7 Ų | 96.7 | 54% | 0.541 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -103.1 | 128.8 | 177.6 | -60.3 | -79.6 | 0 | 0 | 0 | 110 | R179 K182 | R179-Y184 WeakPolarHBondContact O-CE2 3.26Å; K182-Y184 HydrophobicContact CB-CE1 4.45Å; K182-Y184 HydrophobicContact CB-CE2 3.83Å |
| 185 | L | 74.5 | Confident | 65.4 | Low | 52 Ų | 52 | 97.3 Ų | 97.3 | 27% | 0.272 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -87 | 135.9 | 165.1 | -67.2 | 171.2 | 0 | 0 | 0 | 108.7 | E41 I42 L187 S195 I197 | E41-L185 HydrophobicContact CG-CD2 3.78Å; I42-L185 HydrophobicContact CG2-CD2 3.8Å; L185-L187 PolarHBondContact O-N 3.19Å; L185-S195 WeakPolarHBondContact CD1-O 3.49Å; L185-I197 HydrophobicContact CD1-CD1 4.18Å; L185-I197 HydrophobicContact CD1-CG1 3.88Å; L185-I197 HydrophobicContact CG-CD1 4.19Å; L185-I197 HydrophobicContact CG-CG1 4.33Å |
| 186 | P | 68.9 | Low | 63.9 | Low | 38 Ų | 38 | 99.9 Ų | 99.9 | 25% | 0.247 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 136.5 | 169.6 | -18.8 | 30.1 | 0 | 0 | 0 | 110.4 | E41 Q43 H188 | E41-P186 WeakPolarHBondContact O-CD 3.21Å; Q43-P186 HydrophobicContact CB-CG 3.94Å; Q43-P186 HydrophobicContact CG-CG 3.74Å; P186-H188 PolarHBondContact O-N 3.44Å |
| 187 | L | 53.8 | Low | 62.4 | Low | 173 Ų | 173 | 97.3 Ų | 97.3 | 91% | 0.906 | 52% | 0.517 | S | S | * | . | trans | -69.6 | 97.3 | 168.9 | -65.7 | 172.6 | 0 | 0 | 0 | 108 | L185 P189 | L185-L187 PolarHBondContact O-N 3.19Å; L187-P189 WeakPolarHBondContact O-CD 3.34Å | ||
| 188 | H | 51 | Low | 61.3 | Low | 128 Ų | 128 | 100.2 Ų | 100.2 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | trans | -79.3 | 122.1 | 164.6 | -80.2 | -76.1 | 0 | 0 | 0 | 109.1 | P186 I190 | P186-H188 PolarHBondContact O-N 3.44Å; H188-I190 PolarHBondContact O-N 3.35Å; H188-I190 VanDerWaalsContact O-N 3.08Å | ||
| 189 | P | 43.9 | Very low | 59.8 | Low | 119 Ų | 119 | 100.4 Ų | 100.4 | 77% | 0.773 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -66.5 | 108.2 | 166.5 | -11.9 | 27.2 | 0 | 0 | 0 | 108.7 | L187 | L187-P189 WeakPolarHBondContact O-CD 3.34Š|
| 190 | I | 38.4 | Very low | 58.5 | Low | 167 Ų | 167 | 98.8 Ų | 98.8 | 86% | 0.856 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 62.5 | 92.2 | 162.6 | -43.7 | 171.5 | 0 | 0 | 0 | 116 | H188 | H188-I190 PolarHBondContact O-N 3.35Å; H188-I190 VanDerWaalsContact O-N 3.08Å |
| 191 | S | 39.4 | Very low | 57.3 | Low | 96 Ų | 96 | 94.4 Ų | 94.4 | 67% | 0.671 | 50% | 0.503 | S | S | * | . | -147.7 | 138.2 | 127.6 | 64.4 | 0 | 0 | 0 | 0 | 108.7 | S193 | S191-S193 VanDerWaalsContact C-N 3.34Å; S191-S193 PolarHBondContact O-N 3.13Å | |||
| 192 | S | 41.6 | Very low | 56 | Low | 132 Ų | 132 | 97.2 Ų | 97.2 | 92% | 0.923 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -72.8 | 79.3 | -168 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 193 | S | 43 | Very low | 55.1 | Low | 84 Ų | 84 | 95.7 Ų | 95.7 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | trans | -146.7 | 105.2 | 158.6 | 44.1 | 0 | 0 | 0 | 0 | 107 | S191 S195 | S191-S193 VanDerWaalsContact C-N 3.34Å; S191-S193 PolarHBondContact O-N 3.13Å; S193-S195 VanDerWaalsContact C-N 3.28Å; S193-S195 PolarHBondContact O-N 3.22Å | ||
| 194 | S | 40.9 | Very low | 54.2 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 75% | 0.748 | 55% | 0.546 | S | S | * | . | trans | -65.4 | 90.7 | 171.3 | -74.5 | 0 | 0 | 0 | 0 | 108.7 | R196 | S194-R196 VanDerWaalsContact C-N 3.3Å; S194-R196 PolarHBondContact O-N 3.05Å | ||
| 195 | S | 46.4 | Very low | 52.8 | Low | 66 Ų | 66 | 100.1 Ų | 100.1 | 46% | 0.462 | 54% | 0.544 | S | S | . | . | trans | -67.3 | 94.3 | 165 | -58.7 | 0 | 0 | 0 | 0 | 107.4 | L185 S193 | L185-S195 WeakPolarHBondContact CD1-O 3.49Å; S193-S195 VanDerWaalsContact C-N 3.28Å; S193-S195 PolarHBondContact O-N 3.22Å | ||
| 196 | R | 54 | Low | 51.9 | Low | 198 Ų | 198 | 98.6 Ų | 98.6 | 75% | 0.747 | 54% | 0.536 | S | S | * | . | trans | -84.4 | 132.2 | 174.9 | -71.4 | -179.8 | 176.6 | -179 | -1 | 108.2 | S194 H198 | S194-R196 VanDerWaalsContact C-N 3.3Å; S194-R196 PolarHBondContact O-N 3.05Å; R196-H198 PolarHBondContact O-CD2 3.29Å | ||
| 197 | I | 56.3 | Low | 51.1 | Low | 43 Ų | 43 | 101.3 Ų | 101.3 | 22% | 0.221 | 56% | 0.556 | C | S | . | * | trans | -76 | 129.4 | 170.7 | -57.1 | 170.6 | 0 | 0 | 0 | 108.3 | L183 L185 H199 | L183-I197 HydrophobicContact CD2-CD1 4.43Å; L185-I197 HydrophobicContact CD1-CD1 4.18Å; L185-I197 HydrophobicContact CD1-CG1 3.88Å; L185-I197 HydrophobicContact CG-CD1 4.19Å; L185-I197 HydrophobicContact CG-CG1 4.33Å; I197-H199 WeakPolarHBondContact CB-NE2 3.46Å; I197-H199 VanDerWaalsContact CG2-NE2 3.26Å; I197-H199 WeakPolarHBondContact CG2-NE2 3.41Å; I197-H199 PolarHBondContact O-CD2 3.46Å; I197-H199 PolarHBondContact O-N 2.88Å | ||
| 198 | H | 62.2 | Low | 50.4 | Low | 67 Ų | 67 | 100.9 Ų | 100.9 | 31% | 0.31 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 90.7 | -179.5 | -70.1 | -93.3 | 0 | 0 | 0 | 110.4 | D126 W129 R196 H200 | D126-H198 HydrophobicContact CB-CB 3.84Å; D126-H198 VanDerWaalsContact CB-CG 3.41Å; D126-H198 WeakPolarHBondContact OD2-CB 3.05Å; D126-H198 IonicContact OD2-CE1 3.86Å; D126-H198 IonicContact OD2-CG 2.88Å; D126-H198 IonicContact OD2-ND1 2.74Å; D126-H198 PolarHBondContact OD2-ND1 2.92Å; W129-H198 PolarHBondContact O-N 2.92Å; R196-H198 PolarHBondContact O-CD2 3.29Å; H198-H200 VanDerWaalsContact C-N 3.31Å; H198-H200 PolarHBondContact O-N 2.95Å |
| 199 | H | 56.4 | Low | 49.7 | Very low | 61 Ų | 61 | 97.5 Ų | 97.5 | 28% | 0.282 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.9 | 17.5 | -175.4 | -72 | -81.1 | 0 | 0 | 0 | 115.2 | Q131 E174 I197 | Q131-H199 PolarHBondContact OE1-ND1 3.36Å; E174-H199 IonicContact OE2-CE1 3.23Å; E174-H199 PolarHBondContact OE2-CE1 3.2Å; E174-H199 IonicContact OE2-ND1 2.7Å; E174-H199 PolarHBondContact OE2-ND1 3.35Å; I197-H199 WeakPolarHBondContact CB-NE2 3.46Å; I197-H199 VanDerWaalsContact CG2-NE2 3.26Å; I197-H199 WeakPolarHBondContact CG2-NE2 3.41Å; I197-H199 PolarHBondContact O-CD2 3.46Å; I197-H199 PolarHBondContact O-N 2.88Å |
| 200 | H | 53.8 | Low | 49.3 | Very low | 168 Ų | 168 | 101.1 Ų | 101.1 | 78% | 0.778 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -140.6 | 31.5 | -165.7 | -110 | 67.5 | 0 | 0 | 0 | 116.8 | H198 Q202 | H198-H200 VanDerWaalsContact C-N 3.31Å; H198-H200 PolarHBondContact O-N 2.95Å; H200-Q202 PolarHBondContact O-N 3.41Å; H200-Q202 VanDerWaalsContact O-N 3.16Å |
| 201 | H | 57.5 | Low | 49.1 | Very low | 32 Ų | 32 | 99.8 Ų | 99.8 | 15% | 0.148 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 66.6 | 162.4 | -64.8 | -46 | 0 | 0 | 0 | 110.9 | D126 N130 Q133 L203 | D126-H201 PolarHBondContact N-NE2 2.89Å; D126-H201 IonicContact OD1-CE1 3.35Å; D126-H201 PolarHBondContact OD1-CE1 3.09Å; D126-H201 IonicContact OD1-NE2 2.73Å; D126-H201 PolarHBondContact OD1-NE2 2.9Å; D126-H201 IonicContact OD2-CE1 3.02Å; D126-H201 PolarHBondContact OD2-CE1 3.49Å; D126-H201 IonicContact OD2-NE2 3.49Å; D126-H201 PolarHBondContact OD2-NE2 3.45Å; N130-H201 PolarHBondContact OD1-CD2 3.08Å; N130-H201 PolarHBondContact OD1-NE2 3.19Å; Q133-H201 PolarHBondContact N-O 2.85Å; H201-L203 PolarHBondContact O-N 3.26Å |
| 202 | Q | 57.2 | Low | 48.9 | Very low | 102 Ų | 102 | 100.7 Ų | 100.7 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62 | 120.9 | 151.6 | -166.2 | 172 | 20.3 | 0 | 0 | 106.2 | H200 K204 | H200-Q202 PolarHBondContact O-N 3.41Å; H200-Q202 VanDerWaalsContact O-N 3.16Å; Q202-K204 PolarHBondContact O-N 3.47Å |
| 203 | L | 63 | Low | 48.4 | Very low | 16 Ų | 16 | 99 Ų | 99 | 8% | 0.084 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -55.5 | 119.9 | 173.3 | -84.8 | 161 | 0 | 0 | 0 | 107.8 | F89 A105 M123 V132 Q133 F134 F139 H201 | F89-L203 HydrophobicContact CE1-CD1 4.12Å; F89-L203 HydrophobicContact CZ-CD1 3.72Å; A105-L203 HydrophobicContact CB-CD1 4.11Å; M123-L203 HydrophobicContact CB-CD2 3.41Å; M123-L203 VanDerWaalsContact CB-CD2 3.41Å; V132-L203 HydrophobicContact CG1-CD1 3.93Å; V132-L203 HydrophobicContact CG1-CG 4.39Å; Q133-L203 PolarHBondContact O-N 3.39Å; F134-L203 HydrophobicContact CB-CD1 4.43Å; F134-L203 HydrophobicContact CD2-CB 3.97Å; F134-L203 HydrophobicContact CD2-CD1 3.19Å; F134-L203 HydrophobicContact CD2-CG 4.14Å; F134-L203 HydrophobicContact CE2-CB 4.3Å; F134-L203 HydrophobicContact CE2-CD1 3.64Å; F134-L203 HydrophobicContact CG-CD1 4.11Å; F139-L203 HydrophobicContact CE2-CB 3.94Å; F139-L203 HydrophobicContact CZ-CB 3.7Å; F139-L203 WeakPolarHBondContact CZ-O 3.35Å; H201-L203 PolarHBondContact O-N 3.26Å |
| 204 | K | 57 | Low | 48 | Very low | 193 Ų | 193 | 102.5 Ų | 102.5 | 84% | 0.839 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 145.6 | -174.5 | -73.7 | -173.9 | 177.5 | -175.6 | 0 | 109.8 | Q202 | Q202-K204 PolarHBondContact O-N 3.47Š|
| 205 | A | 50.4 | Low | 47.6 | Very low | 61 Ų | 61 | 112 Ų | 112 | 50% | 0.504 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 144.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S207 | A205-S207 PolarHBondContact O-N 2.72Š|
| 206 | I | 55.7 | Low | 47.7 | Very low | 20 Ų | 20 | 114.3 Ų | 114.3 | 10% | 0.103 | 59% | 0.59 | C | S | . | * | trans | -60.1 | 106.1 | 161.4 | -56.3 | 178 | 0 | 0 | 0 | 105 | T112 F139 A143 D208 | T112-I206 HydrophobicContact CG2-CD1 4.24Å; T112-I206 HydrophobicContact CG2-CG1 4.03Å; T112-I206 HydrophobicContact CG2-CG2 4.03Å; F139-I206 HydrophobicContact CD1-CD1 4.04Å; F139-I206 HydrophobicContact CD1-CG1 4Å; F139-I206 HydrophobicContact CE1-CG1 4.03Å; A143-I206 HydrophobicContact CB-CD1 3.75Å; I206-D208 PolarHBondContact O-N 2.87Å | ||
| 207 | S | 51.8 | Low | 47.3 | Very low | 94 Ų | 94 | 109.8 Ų | 109.8 | 66% | 0.657 | 58% | 0.581 | S | S | * | * | trans | -56.7 | 138.3 | 168.7 | 56.4 | 0 | 0 | 0 | 0 | 107.5 | A205 G209 | A205-S207 PolarHBondContact O-N 2.72Å; S207-G209 PolarHBondContact O-N 2.88Å | ||
| 208 | D | 39.4 | Very low | 46.8 | Very low | 165 Ų | 165 | 113.6 Ų | 113.6 | 88% | 0.882 | 60% | 0.601 | S | S | * | * | trans | -61.5 | 69.8 | 172.9 | -64.3 | -41.1 | 0 | 0 | 0 | 110.3 | I206 | I206-D208 PolarHBondContact O-N 2.87Š| ||
| 209 | G | 36 | Very low | 45.9 | Very low | 57 Ų | 57 | 116.3 Ų | 116.3 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | trans | -110.2 | 89 | -170.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | S207 | S207-G209 PolarHBondContact O-N 2.88Š| ||
| 210 | K | 34.1 | Very low | 45.3 | Very low | 195 Ų | 195 | 119.8 Ų | 119.8 | 85% | 0.848 | 64% | 0.64 | S | S | * | * | trans | 31.3 | 97.3 | 160.5 | -69.1 | 179 | 178.6 | 178.2 | 0 | 114.5 | S212 | K210-S212 PolarHBondContact O-N 3.46Š| ||
| 211 | T | 34.3 | Very low | 44.7 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 85% | 0.847 | 63% | 0.63 | S | S | * | * | trans | -39.8 | 104 | 152.1 | 40.4 | 0 | 0 | 0 | 0 | 109.6 | S213 | T211-S213 PolarHBondContact O-N 3.08Š| ||
| 212 | S | 35.1 | Very low | 43.8 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | trans | -71.7 | 89.8 | 161.4 | -70.4 | 0 | 0 | 0 | 0 | 105.9 | K210 N214 | K210-S212 PolarHBondContact O-N 3.46Å; S212-N214 PolarHBondContact O-N 2.99Å | ||
| 213 | S | 31.9 | Very low | 42.8 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | trans | -61.5 | 97.6 | 168.7 | -178 | 0 | 0 | 0 | 0 | 107.9 | T211 | T211-S213 PolarHBondContact O-N 3.08Š| ||
| 214 | N | 34.8 | Very low | 41.1 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | -93.6 | 108 | 158 | -85.7 | -3.2 | 0 | 0 | 0 | 106.8 | S212 | S212-N214 PolarHBondContact O-N 2.99Š| ||
| 215 | R | 32.3 | Very low | 39.6 | Very low | 305 Ų | 305 | 127.7 Ų | 127.7 | 100% | 1.151 | 72% | 0.719 | S | S | * | * | trans | -52.3 | 0 | 156.9 | -74.8 | 179.3 | 174.4 | 178.1 | -2.2 | 110.7 |
Retrieved 215 of 215 residues in 43.5 ms
(Link to these results)