| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.4 | Low | 83.1 | Confident | 242 Ų | 242 | 54.7 Ų | 54.7 | 100% | 1.192 | 32% | 0.317 | S | S | * | . | 0 | 132.4 | 0 | -83.6 | -168.9 | -87.2 | 0 | 0 | 107.9 | |||||
| 2 | A | 61.4 | Low | 84 | Confident | 50 Ų | 50 | 52 Ų | 52 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 138.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 3 | A | 81.3 | Confident | 84.6 | Confident | 80 Ų | 80 | 48.2 Ų | 48.2 | 66% | 0.661 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 138.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 4 | V | 87.7 | Confident | 84.7 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 126.4 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | L6 E7 L31 L32 T33 | V4-L6 WeakPolarHBondContact CG1-O 3.43Å; V4-E7 HydrophobicContact CG1-CB 4.25Å; V4-L31 HydrophobicContact CG1-CB 4.35Å; V4-L31 HydrophobicContact CG1-CD2 4.1Å; V4-L32 CarbonylContact C-O 3.5Å; V4-T33 HydrophobicContact CG2-CG2 4.32Å |
| 5 | I | 88.1 | Confident | 84.3 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 28% | 0.277 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -46.9 | -179.7 | -55.1 | 174.6 | 0 | 0 | 0 | 110.4 | L32 V34 Q127 V131 | I5-L32 HydrophobicContact CB-CG 4.42Å; I5-L32 HydrophobicContact CD1-CG 4.47Å; I5-L32 PolarHBondContact N-O 2.88Å; I5-V34 HydrophobicContact CD1-CG1 3.76Å; I5-Q127 HydrophobicContact CG2-CG 3.57Å; I5-Q127 VanDerWaalsContact CG2-NE2 3.28Å; I5-V131 HydrophobicContact CD1-CG2 3.83Å |
| 6 | L | 88.8 | Confident | 83.6 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.8 | 177.3 | -66.9 | 176.9 | 0 | 0 | 0 | 110.2 | V4 L31 L32 W124 Q127 | V4-L6 WeakPolarHBondContact CG1-O 3.43Å; L6-L31 WeakPolarHBondContact O-CA 3.28Å; L6-L32 HydrophobicContact CB-CB 4.17Å; L6-L32 HydrophobicContact CD1-CD2 4.29Å; L6-L32 PolarHBondContact N-O 3.15Å; L6-L32 PolarHBondContact O-N 3.12Å; L6-W124 HydrophobicContact CB-CD2 4.26Å; L6-W124 HydrophobicContact CB-CH2 3.94Å; L6-W124 HydrophobicContact CB-CZ2 3.56Å; L6-W124 HydrophobicContact CB-CZ3 4.43Å; L6-W124 HydrophobicContact CD1-CB 4.44Å; L6-W124 HydrophobicContact CD1-CD2 3.76Å; L6-W124 HydrophobicContact CD1-CE3 4.25Å; L6-W124 HydrophobicContact CD1-CG 3.84Å; L6-Q127 HydrophobicContact CD1-CB 3.55Å; L6-Q127 HydrophobicContact CD1-CG 3.84Å; L6-Q127 HydrophobicContact CG-CB 4.38Å; L6-Q127 HydrophobicContact CG-CG 4.16Å |
| 7 | E | 91.4 | Very high | 82.7 | Confident | 70 Ų | 70 | 50.9 Ų | 50.9 | 33% | 0.327 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125 | 175.9 | 173 | 163.3 | -148.6 | 0 | 0 | 108.7 | V4 L29 F30 L31 | V4-E7 HydrophobicContact CG1-CB 4.25Å; E7-L29 HydrophobicContact CG-CD1 3.74Å; E7-L29 HydrophobicContact CG-CG 4.47Å; E7-L29 WeakPolarHBondContact OE1-CD2 3.47Å; E7-F30 VanDerWaalsContact CA-O 3.31Å; E7-F30 WeakPolarHBondContact CA-O 3.37Å; E7-L31 HydrophobicContact CB-CD2 3.63Å; E7-L31 HydrophobicContact CG-CD2 3.39Å; E7-L31 WeakPolarHBondContact OE1-CD2 3.29Å |
| 8 | S | 88.6 | Confident | 81.8 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 151.2 | 179.8 | -59.7 | 0 | 0 | 0 | 0 | 112 | F30 W124 | S8-F30 PolarHBondContact N-O 2.87Å; S8-F30 VanDerWaalsContact N-O 3.07Å; S8-F30 PolarHBondContact O-N 2.93Å; S8-W124 PolarHBondContact OG-NE1 2.79Å |
| 9 | I | 90.3 | Very high | 80.9 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.4 | 171.2 | -60.5 | 173.3 | 0 | 0 | 0 | 108.4 | R28 L29 Y42 F44 F98 L371 | I9-R28 WeakPolarHBondContact CA-O 3.3Å; I9-L29 HydrophobicContact CG1-CD1 4.06Å; I9-Y42 HydrophobicContact CD1-CD1 3.56Å; I9-Y42 HydrophobicContact CD1-CD2 4.41Å; I9-Y42 HydrophobicContact CD1-CE1 3.48Å; I9-Y42 VanDerWaalsContact CD1-CE1 3.48Å; I9-Y42 HydrophobicContact CD1-CE2 4.34Å; I9-Y42 HydrophobicContact CD1-CG 4.03Å; I9-Y42 HydrophobicContact CG1-CD1 4.42Å; I9-Y42 HydrophobicContact CG1-CG 4.43Å; I9-F44 HydrophobicContact CD1-CE1 3.8Å; I9-F44 HydrophobicContact CD1-CZ 4.2Å; I9-F44 HydrophobicContact CG2-CZ 4.1Å; I9-F98 HydrophobicContact CG2-CE1 4.45Å; I9-F98 HydrophobicContact CG2-CZ 4.25Å; I9-L371 HydrophobicContact CG1-CD1 4.34Å |
| 10 | F | 93.2 | Very high | 80.1 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.1 | 174.9 | -65.4 | -51.8 | 0 | 0 | 0 | 111.9 | K27 R28 F30 F102 V113 F114 L120 W124 | F10-K27 CarbonylContact O-C 3.56Å; F10-K27 WeakPolarHBondContact O-CA 3.44Å; F10-R28 PolarHBondContact N-O 3.19Å; F10-R28 PolarHBondContact O-N 3.16Å; F10-F30 HydrophobicContact CB-CD2 3.78Å; F10-F30 HydrophobicContact CB-CE2 3.8Å; F10-F30 HydrophobicContact CD2-CB 4.02Å; F10-F30 AromaticContact CD2-CD2 3.7Å; F10-F30 HydrophobicContact CD2-CD2 3.7Å; F10-F30 HydrophobicContact CD2-CE2 4.33Å; F10-F30 AromaticContact CD2-CG 3.93Å; F10-F30 HydrophobicContact CD2-CG 3.93Å; F10-F30 HydrophobicContact CE2-CB 4.47Å; F10-F30 HydrophobicContact CG-CD2 4.21Å; F10-F102 HydrophobicContact CD2-CZ 4.39Å; F10-F102 HydrophobicContact CE1-CE1 4.43Å; F10-F102 HydrophobicContact CE2-CE1 4.32Å; F10-F102 HydrophobicContact CE2-CZ 4.07Å; F10-F102 HydrophobicContact CZ-CE1 4.23Å; F10-F102 HydrophobicContact CZ-CZ 4.35Å; F10-V113 HydrophobicContact CB-CG1 3.33Å; F10-V113 HydrophobicContact CD1-CG1 4.33Å; F10-V113 HydrophobicContact CD2-CG1 3.56Å; F10-V113 HydrophobicContact CE2-CG1 4.41Å; F10-V113 HydrophobicContact CG-CG1 3.51Å; F10-F114 WeakPolarHBondContact CB-O 3.42Å; F10-F114 WeakPolarHBondContact CD1-O 3.44Å; F10-L120 HydrophobicContact CE1-CD2 3.75Å; F10-L120 HydrophobicContact CE1-CG 4.05Å; F10-L120 HydrophobicContact CZ-CD2 4.19Å; F10-L120 HydrophobicContact CZ-CG 4.16Å; F10-W124 AromaticContact CE2-CD2 3.53Å; F10-W124 HydrophobicContact CE2-CD2 3.53Å; F10-W124 AromaticContact CE2-CE2 3.41Å; F10-W124 VanDerWaalsContact CE2-CE2 3.41Å; F10-W124 AromaticContact CE2-CE3 3.92Å; F10-W124 HydrophobicContact CE2-CE3 3.92Å; F10-W124 AromaticContact CE2-CG 4Å; F10-W124 HydrophobicContact CE2-CG 4Å; F10-W124 HydrophobicContact CE2-CH2 4.09Å; F10-W124 AromaticContact CE2-CZ2 3.71Å; F10-W124 HydrophobicContact CE2-CZ2 3.71Å; F10-W124 HydrophobicContact CE2-CZ3 4.18Å; F10-W124 AromaticContact CE2-NE1 3.78Å; F10-W124 AromaticContact CZ-CD1 3.56Å; F10-W124 AromaticContact CZ-CD2 3.77Å; F10-W124 HydrophobicContact CZ-CD2 3.77Å; F10-W124 AromaticContact CZ-CE2 3.62Å; F10-W124 AromaticContact CZ-CG 3.73Å; F10-W124 HydrophobicContact CZ-CG 3.73Å; F10-W124 HydrophobicContact CZ-CZ2 4.29Å; F10-W124 AromaticContact CZ-NE1 3.46Å |
| 11 | L | 92.9 | Very high | 79.5 | Confident | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 114.7 | 167.8 | -173.9 | 70.6 | 0 | 0 | 0 | 109.1 | F25 K27 R77 F98 F114 | L11-F25 HydrophobicContact CD1-CB 3.82Å; L11-F25 HydrophobicContact CD2-CB 4.07Å; L11-F25 HydrophobicContact CD2-CD1 4.13Å; L11-F25 HydrophobicContact CD2-CG 4.45Å; L11-F25 HydrophobicContact CG-CB 3.93Å; L11-F25 HydrophobicContact CG-CD1 4.26Å; L11-K27 HydrophobicContact CD1-CG 4.14Å; L11-R77 HydrophobicContact CD2-CG 3.91Å; L11-F98 HydrophobicContact CB-CB 3.7Å; L11-F98 HydrophobicContact CB-CD1 4.06Å; L11-F98 HydrophobicContact CB-CD2 3.77Å; L11-F98 HydrophobicContact CB-CE2 4.45Å; L11-F98 HydrophobicContact CB-CG 3.56Å; L11-F98 HydrophobicContact CD2-CB 4.17Å; L11-F98 HydrophobicContact CD2-CD2 4.39Å; L11-F114 HydrophobicContact CB-CB 4.15Å; L11-F114 PolarHBondContact N-O 3.47Å; L11-F114 PolarHBondContact O-N 2.76Å |
| 12 | K | 94.3 | Very high | 80.4 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 10% | 0.096 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.6 | -179.6 | -176.6 | -166.8 | 174.1 | -56.6 | 0 | 110.4 | F25 K26 R28 F30 Y39 L111 | K12-F25 WeakPolarHBondContact O-CA 3.48Å; K12-K26 PolarHBondContact N-O 3.33Å; K12-K26 PolarHBondContact O-N 3.24Å; K12-R28 HydrophobicContact CB-CG 4.07Å; K12-R28 HydrophobicContact CD-CG 4.3Å; K12-F30 HydrophobicContact CB-CE2 4.13Å; K12-F30 HydrophobicContact CB-CZ 3.98Å; K12-F30 HydrophobicContact CD-CZ 4.23Å; K12-F30 HydrophobicContact CG-CZ 4.04Å; K12-Y39 HydrophobicContact CD-CD2 4.11Å; K12-Y39 HydrophobicContact CD-CE2 4Å; K12-L111 HydrophobicContact CD-CD1 4.21Å; K12-L111 VanDerWaalsContact CE-CD1 3.45Å; K12-L111 HydrophobicContact CG-CD1 3.93Å |
| 13 | R | 91.3 | Very high | 81.3 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 144.6 | 169.5 | -166.1 | 171.7 | 172.2 | -141.8 | -23.8 | 111.2 | L23 N24 F25 Y112 F114 W147 | R13-L23 HydrophobicContact CG-CD1 4.02Å; R13-L23 HydrophobicContact CG-CG 4.34Å; R13-L23 VanDerWaalsContact NE-CD1 3.26Å; R13-L23 VanDerWaalsContact NH2-CD1 3.27Å; R13-N24 CarbonylContact C-O 3.6Å; R13-F25 HydrophobicContact CB-CD1 4.1Å; R13-F25 HydrophobicContact CB-CE1 3.88Å; R13-F25 HydrophobicContact CG-CD1 4.22Å; R13-F25 HydrophobicContact CG-CE1 3.67Å; R13-F25 HydrophobicContact CG-CZ 3.84Å; R13-Y112 PolarHBondContact N-O 3.46Å; R13-Y112 VanDerWaalsContact N-O 3.08Å; R13-F114 HydrophobicContact CB-CE2 4.23Å; R13-W147 PolarHBondContact NH1-O 2.81Å; R13-W147 PolarHBondContact NH2-O 2.78Å |
| 14 | S | 85.8 | Confident | 81.5 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 139.1 | 171.3 | 72.9 | 0 | 0 | 0 | 0 | 109.7 | Q16 P22 N24 | S14-Q16 PolarHBondContact O-N 2.88Å; S14-P22 PolarHBondContact OG-O 2.84Å; S14-N24 PolarHBondContact N-O 2.84Å; S14-N24 PolarHBondContact OG-N 3.17Å; S14-N24 VanDerWaalsContact OG-N 3.15Å |
| 15 | Q | 78.6 | Confident | 81.6 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | trans | -81.7 | -0.5 | -178.4 | -70.9 | 166.1 | -73 | 0 | 0 | 113.1 | Y106 L111 K160 | Q15-Y106 VanDerWaalsContact NE2-CE1 3.32Å; Q15-Y106 PolarHBondContact NE2-OH 3.06Å; Q15-L111 HydrophobicContact CG-CD1 3.95Å; Q15-K160 PolarHBondContact O-NZ 2.76Å | ||
| 16 | Q | 73.1 | Confident | 81.7 | Confident | 29 Ų | 29 | 59.3 Ų | 59.3 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | trans | 43.3 | 69.9 | -177.6 | -62.8 | -179.2 | -63.1 | 0 | 0 | 112 | S14 K18 S21 L23 K160 | S14-Q16 PolarHBondContact O-N 2.88Å; Q16-K18 PolarHBondContact O-N 3.3Å; Q16-S21 PolarHBondContact NE2-O 2.99Å; Q16-L23 HydrophobicContact CG-CD1 3.8Å; Q16-K160 PolarHBondContact O-NZ 3.29Å | ||
| 17 | K | 68.9 | Low | 81.8 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 66% | 0.657 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -59.6 | -25.3 | 179 | -65.8 | -161.2 | 174.9 | -151.4 | 0 | 112.1 | E108 | K17-E108 VanDerWaalsContact NZ-CD 3.31Å; K17-E108 IonicContact NZ-OE1 3.94Å; K17-E108 PolarHBondContact NZ-OE1 3.06Å; K17-E108 IonicContact NZ-OE2 2.64Å; K17-E108 PolarHBondContact NZ-OE2 3.17Å |
| 18 | K | 67.3 | Low | 81.8 | Confident | 148 Ų | 148 | 60 Ų | 60 | 64% | 0.643 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -118.2 | 147.4 | 168.3 | -57.4 | -179.6 | 179.8 | -178.3 | 0 | 109.9 | Q16 T20 S21 | Q16-K18 PolarHBondContact O-N 3.3Å; K18-T20 PolarHBondContact O-N 2.92Å; K18-S21 VanDerWaalsContact O-CB 3.29Å; K18-S21 WeakPolarHBondContact O-CB 3.3Å; K18-S21 PolarHBondContact O-N 2.75Å; K18-S21 PolarHBondContact O-OG 2.87Å |
| 19 | K | 63.2 | Low | 82 | Confident | 180 Ų | 180 | 60 Ų | 60 | 78% | 0.783 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.9 | -179.6 | -165 | 175.2 | -178.6 | 179.6 | 0 | 113.2 | ||
| 20 | T | 64.6 | Low | 82.2 | Confident | 129 Ų | 129 | 59.5 Ų | 59.5 | 79% | 0.791 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -2.8 | 178.6 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | K18 | K18-T20 PolarHBondContact O-N 2.92Š|
| 21 | S | 69.5 | Low | 82.2 | Confident | 36 Ų | 36 | 60 Ų | 60 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -71.2 | 133.8 | -177.9 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | Q16 K18 | Q16-S21 PolarHBondContact NE2-O 2.99Å; K18-S21 VanDerWaalsContact O-CB 3.29Å; K18-S21 WeakPolarHBondContact O-CB 3.3Å; K18-S21 PolarHBondContact O-N 2.75Å; K18-S21 PolarHBondContact O-OG 2.87Å |
| 22 | P | 68.4 | Low | 82.2 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | trans | -61.8 | 144.4 | 180 | 23.7 | -32.6 | 0 | 0 | 0 | 111.5 | S14 N24 | S14-P22 PolarHBondContact OG-O 2.84Å; P22-N24 PolarHBondContact O-N 2.92Å | ||
| 23 | L | 80.5 | Confident | 82.1 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | trans | -82.5 | 99.2 | 175.6 | -161.8 | 73.6 | 0 | 0 | 0 | 109.4 | R13 Q16 F25 | R13-L23 HydrophobicContact CG-CD1 4.02Å; R13-L23 HydrophobicContact CG-CG 4.34Å; R13-L23 VanDerWaalsContact NE-CD1 3.26Å; R13-L23 VanDerWaalsContact NH2-CD1 3.27Å; Q16-L23 HydrophobicContact CG-CD1 3.8Å; L23-F25 HydrophobicContact CD2-CE2 4.14Å; L23-F25 HydrophobicContact CD2-CZ 4.25Å; L23-F25 HydrophobicContact CG-CE2 4.17Å; L23-F25 HydrophobicContact CG-CZ 4.49Å | ||
| 24 | N | 86.1 | Confident | 82 | Confident | 80 Ų | 80 | 63.3 Ų | 63.3 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | trans | -112.1 | 145.1 | -175.3 | -71.1 | -35.5 | 0 | 0 | 0 | 110.3 | R13 S14 P22 | R13-N24 CarbonylContact C-O 3.6Å; S14-N24 PolarHBondContact N-O 2.84Å; S14-N24 PolarHBondContact OG-N 3.17Å; S14-N24 VanDerWaalsContact OG-N 3.15Å; P22-N24 PolarHBondContact O-N 2.92Å | ||
| 25 | F | 89.2 | Confident | 82.3 | Confident | 44 Ų | 44 | 68 Ų | 68 | 19% | 0.193 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.2 | 174.9 | -63.7 | -99.2 | 0 | 0 | 0 | 108.4 | L11 K12 R13 L23 F114 | L11-F25 HydrophobicContact CD1-CB 3.82Å; L11-F25 HydrophobicContact CD2-CB 4.07Å; L11-F25 HydrophobicContact CD2-CD1 4.13Å; L11-F25 HydrophobicContact CD2-CG 4.45Å; L11-F25 HydrophobicContact CG-CB 3.93Å; L11-F25 HydrophobicContact CG-CD1 4.26Å; K12-F25 WeakPolarHBondContact O-CA 3.48Å; R13-F25 HydrophobicContact CB-CD1 4.1Å; R13-F25 HydrophobicContact CB-CE1 3.88Å; R13-F25 HydrophobicContact CG-CD1 4.22Å; R13-F25 HydrophobicContact CG-CE1 3.67Å; R13-F25 HydrophobicContact CG-CZ 3.84Å; L23-F25 HydrophobicContact CD2-CE2 4.14Å; L23-F25 HydrophobicContact CD2-CZ 4.25Å; L23-F25 HydrophobicContact CG-CE2 4.17Å; L23-F25 HydrophobicContact CG-CZ 4.49Å; F25-F114 HydrophobicContact CD1-CE2 4.21Å; F25-F114 HydrophobicContact CE1-CD2 4.42Å; F25-F114 AromaticContact CE1-CE2 3.67Å; F25-F114 HydrophobicContact CE1-CE2 3.67Å; F25-F114 AromaticContact CE1-CZ 3.86Å; F25-F114 HydrophobicContact CE1-CZ 3.86Å |
| 26 | K | 89.7 | Confident | 83.1 | Confident | 114 Ų | 114 | 70.6 Ų | 70.6 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 132.2 | 179.2 | -62.8 | -164.9 | 175.5 | -168.2 | 0 | 110.9 | K12 R28 | K12-K26 PolarHBondContact N-O 3.33Å; K12-K26 PolarHBondContact O-N 3.24Å; K26-R28 PolarHBondContact O-N 2.83Å |
| 27 | K | 90.7 | Very high | 84.2 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 131.7 | 171.8 | -59.1 | -174 | -170.3 | -176 | 0 | 109.2 | F10 L11 F44 I95 F98 | F10-K27 CarbonylContact O-C 3.56Å; F10-K27 WeakPolarHBondContact O-CA 3.44Å; L11-K27 HydrophobicContact CD1-CG 4.14Å; K27-F44 HydrophobicContact CB-CE2 4.29Å; K27-F44 HydrophobicContact CB-CZ 4.22Å; K27-F44 HydrophobicContact CD-CE2 4.06Å; K27-F44 HydrophobicContact CD-CZ 3.72Å; K27-I95 WeakPolarHBondContact CE-O 3.48Å; K27-I95 PolarHBondContact NZ-O 3Å; K27-F98 HydrophobicContact CD-CE2 4.15Å; K27-F98 HydrophobicContact CD-CZ 4.41Å; K27-F98 HydrophobicContact CG-CE2 4.25Å |
| 28 | R | 92.5 | Very high | 85.4 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 12% | 0.117 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 141.4 | -178.7 | -65.4 | -65.6 | 177.1 | -111.4 | 18.3 | 109.6 | I9 F10 K12 K26 F30 Y40 | I9-R28 WeakPolarHBondContact CA-O 3.3Å; F10-R28 PolarHBondContact N-O 3.19Å; F10-R28 PolarHBondContact O-N 3.16Å; K12-R28 HydrophobicContact CB-CG 4.07Å; K12-R28 HydrophobicContact CD-CG 4.3Å; K26-R28 PolarHBondContact O-N 2.83Å; R28-F30 HydrophobicContact CB-CD2 4.09Å; R28-F30 HydrophobicContact CB-CE2 3.72Å; R28-F30 WeakPolarHBondContact O-CD2 3.32Å; R28-Y40 WeakPolarHBondContact CA-O 3.34Å; R28-Y40 WeakPolarHBondContact CD-O 3.42Å |
| 29 | L | 91.6 | Very high | 86.7 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 115.8 | 168.1 | -179.5 | 69.9 | 0 | 0 | 0 | 108.3 | E7 I9 L31 Y39 Y40 Y42 R49 | E7-L29 HydrophobicContact CG-CD1 3.74Å; E7-L29 HydrophobicContact CG-CG 4.47Å; E7-L29 WeakPolarHBondContact OE1-CD2 3.47Å; I9-L29 HydrophobicContact CG1-CD1 4.06Å; L29-L31 HydrophobicContact CD2-CD2 4.49Å; L29-L31 HydrophobicContact CG-CD2 4.38Å; L29-Y39 CarbonylContact O-C 3.55Å; L29-Y39 VanDerWaalsContact O-CA 3.23Å; L29-Y39 WeakPolarHBondContact O-CA 3.38Å; L29-Y40 PolarHBondContact N-O 2.81Å; L29-Y40 PolarHBondContact O-N 2.8Å; L29-Y42 HydrophobicContact CB-CD2 4.06Å; L29-Y42 HydrophobicContact CB-CG 4.5Å; L29-Y42 HydrophobicContact CD1-CD2 4.29Å; L29-Y42 HydrophobicContact CD2-CD2 4.04Å; L29-Y42 HydrophobicContact CD2-CE2 4.5Å; L29-Y42 HydrophobicContact CG-CD2 4.37Å; L29-R49 HydrophobicContact CD2-CB 3.92Å; L29-R49 HydrophobicContact CD2-CG 3.94Å |
| 30 | F | 94.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.3 | 176 | -77.8 | -102.1 | 0 | 0 | 0 | 110.4 | E7 S8 F10 K12 R28 L37 S38 Y39 L111 V113 W124 | E7-F30 VanDerWaalsContact CA-O 3.31Å; E7-F30 WeakPolarHBondContact CA-O 3.37Å; S8-F30 PolarHBondContact N-O 2.87Å; S8-F30 VanDerWaalsContact N-O 3.07Å; S8-F30 PolarHBondContact O-N 2.93Å; F10-F30 HydrophobicContact CB-CD2 3.78Å; F10-F30 HydrophobicContact CB-CE2 3.8Å; F10-F30 HydrophobicContact CD2-CB 4.02Å; F10-F30 AromaticContact CD2-CD2 3.7Å; F10-F30 HydrophobicContact CD2-CD2 3.7Å; F10-F30 HydrophobicContact CD2-CE2 4.33Å; F10-F30 AromaticContact CD2-CG 3.93Å; F10-F30 HydrophobicContact CD2-CG 3.93Å; F10-F30 HydrophobicContact CE2-CB 4.47Å; F10-F30 HydrophobicContact CG-CD2 4.21Å; K12-F30 HydrophobicContact CB-CE2 4.13Å; K12-F30 HydrophobicContact CB-CZ 3.98Å; K12-F30 HydrophobicContact CD-CZ 4.23Å; K12-F30 HydrophobicContact CG-CZ 4.04Å; R28-F30 HydrophobicContact CB-CD2 4.09Å; R28-F30 HydrophobicContact CB-CE2 3.72Å; R28-F30 WeakPolarHBondContact O-CD2 3.32Å; F30-L37 HydrophobicContact CD1-CD1 4.11Å; F30-L37 HydrophobicContact CD1-CG 4.48Å; F30-S38 CarbonylContact C-O 3.54Å; F30-S38 WeakPolarHBondContact CA-O 3.45Å; F30-Y39 HydrophobicContact CD1-CD1 4.3Å; F30-Y39 HydrophobicContact CD1-CG 4.45Å; F30-Y39 AromaticContact CE1-CD1 3.78Å; F30-Y39 HydrophobicContact CE1-CD1 3.78Å; F30-Y39 HydrophobicContact CE1-CG 4.03Å; F30-Y39 HydrophobicContact CZ-CD1 4.35Å; F30-Y39 HydrophobicContact CZ-CG 4.27Å; F30-L111 HydrophobicContact CE1-CD2 4.13Å; F30-V113 HydrophobicContact CE1-CG2 4.1Å; F30-V113 HydrophobicContact CE2-CG1 4.16Å; F30-V113 HydrophobicContact CZ-CG1 4.16Å; F30-V113 HydrophobicContact CZ-CG2 3.92Å; F30-W124 HydrophobicContact CB-CH2 3.68Å; F30-W124 HydrophobicContact CB-CZ2 4.4Å; F30-W124 HydrophobicContact CB-CZ3 4.2Å |
| 31 | L | 93.4 | Very high | 89.3 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118.7 | 174.6 | -58.1 | -177.1 | 0 | 0 | 0 | 109.1 | V4 L6 E7 L29 S38 Y40 | V4-L31 HydrophobicContact CG1-CB 4.35Å; V4-L31 HydrophobicContact CG1-CD2 4.1Å; L6-L31 WeakPolarHBondContact O-CA 3.28Å; E7-L31 HydrophobicContact CB-CD2 3.63Å; E7-L31 HydrophobicContact CG-CD2 3.39Å; E7-L31 WeakPolarHBondContact OE1-CD2 3.29Å; L29-L31 HydrophobicContact CD2-CD2 4.49Å; L29-L31 HydrophobicContact CG-CD2 4.38Å; L31-S38 PolarHBondContact N-O 3.06Å; L31-S38 PolarHBondContact O-N 2.81Å; L31-Y40 HydrophobicContact CB-CE2 4.26Å; L31-Y40 HydrophobicContact CD1-CD2 4.02Å; L31-Y40 HydrophobicContact CD1-CE2 3.48Å; L31-Y40 VanDerWaalsContact CD1-CE2 3.48Å; L31-Y40 HydrophobicContact CG-CD2 4.15Å; L31-Y40 HydrophobicContact CG-CE2 3.86Å |
| 32 | L | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.1 | 171.7 | 179.9 | 60.6 | 0 | 0 | 0 | 109.5 | V4 I5 L6 L37 V58 W124 Q127 L128 | V4-L32 CarbonylContact C-O 3.5Å; I5-L32 HydrophobicContact CB-CG 4.42Å; I5-L32 HydrophobicContact CD1-CG 4.47Å; I5-L32 PolarHBondContact N-O 2.88Å; L6-L32 HydrophobicContact CB-CB 4.17Å; L6-L32 HydrophobicContact CD1-CD2 4.29Å; L6-L32 PolarHBondContact N-O 3.15Å; L6-L32 PolarHBondContact O-N 3.12Å; L32-L37 HydrophobicContact CB-CD1 4.3Å; L32-L37 HydrophobicContact CD1-CB 4.28Å; L32-L37 HydrophobicContact CD1-CD1 4.28Å; L32-V58 HydrophobicContact CD1-CG2 4.14Å; L32-W124 HydrophobicContact CB-CH2 4.23Å; L32-W124 HydrophobicContact CB-CZ3 4.02Å; L32-Q127 HydrophobicContact CD2-CG 4.12Å; L32-L128 HydrophobicContact CD1-CD2 3.6Å; L32-L128 HydrophobicContact CD2-CD2 3.79Å; L32-L128 HydrophobicContact CD2-CG 4.02Å; L32-L128 HydrophobicContact CG-CD2 4.33Å |
| 33 | T | 92.6 | Very high | 90.2 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 14% | 0.135 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 173.1 | 166.6 | 64.2 | 0 | 0 | 0 | 0 | 108.6 | V4 H35 K36 | V4-T33 HydrophobicContact CG2-CG2 4.32Å; T33-H35 PolarHBondContact O-N 2.88Å; T33-H35 VanDerWaalsContact O-N 3.17Å; T33-H35 PolarHBondContact OG1-N 2.73Å; T33-K36 PolarHBondContact N-O 2.69Å; T33-K36 PolarHBondContact OG1-N 2.94Å; T33-K36 PolarHBondContact OG1-O 2.95Å |
| 34 | V | 88.9 | Confident | 89.6 | Confident | 77 Ų | 77 | 47.9 Ų | 47.9 | 47% | 0.467 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -60.3 | -23.2 | 174.9 | -69.8 | 0 | 0 | 0 | 0 | 113.4 | I5 | I5-V34 HydrophobicContact CD1-CG1 3.76Š|
| 35 | H | 91.8 | Very high | 88.6 | Confident | 127 Ų | 127 | 52.7 Ų | 52.7 | 59% | 0.588 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -110.2 | -29.4 | -175.5 | -58.5 | -56.3 | 0 | 0 | 0 | 114 | T33 V58 | T33-H35 PolarHBondContact O-N 2.88Å; T33-H35 VanDerWaalsContact O-N 3.17Å; T33-H35 PolarHBondContact OG1-N 2.73Å; H35-V58 WeakPolarHBondContact O-CB 3.3Å; H35-V58 PolarHBondContact O-N 3.33Å |
| 36 | K | 94.5 | Very high | 87.2 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 140.5 | -173.2 | -59.3 | -170.8 | -173.7 | -102.8 | 0 | 112.3 | T33 I56 D57 | T33-K36 PolarHBondContact N-O 2.69Å; T33-K36 PolarHBondContact OG1-N 2.94Å; T33-K36 PolarHBondContact OG1-O 2.95Å; K36-I56 CarbonylContact C-O 3.57Å; K36-I56 WeakPolarHBondContact CA-O 3.47Å; K36-D57 WeakPolarHBondContact CE-OD1 3.5Å; K36-D57 WeakPolarHBondContact CG-OD1 3.38Å; K36-D57 IonicContact NZ-OD1 2.79Å; K36-D57 PolarHBondContact NZ-OD1 2.74Å |
| 37 | L | 95.9 | Very high | 86.2 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 104.1 | 161.7 | 176.1 | 62.6 | 0 | 0 | 0 | 108.3 | F30 L32 S55 I56 V104 W124 | F30-L37 HydrophobicContact CD1-CD1 4.11Å; F30-L37 HydrophobicContact CD1-CG 4.48Å; L32-L37 HydrophobicContact CB-CD1 4.3Å; L32-L37 HydrophobicContact CD1-CB 4.28Å; L32-L37 HydrophobicContact CD1-CD1 4.28Å; L37-S55 CarbonylContact O-C 3.55Å; L37-S55 VanDerWaalsContact O-CA 3.23Å; L37-S55 WeakPolarHBondContact O-CA 3.28Å; L37-I56 HydrophobicContact CB-CB 4.46Å; L37-I56 PolarHBondContact N-O 2.68Å; L37-I56 PolarHBondContact O-N 3.06Å; L37-V104 HydrophobicContact CD2-CG1 4.17Å; L37-V104 HydrophobicContact CD2-CG2 4.15Å; L37-W124 HydrophobicContact CD1-CZ3 3.81Å |
| 38 | S | 95.4 | Very high | 85.4 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 149.7 | -177.8 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | F30 L31 S55 | F30-S38 CarbonylContact C-O 3.54Å; F30-S38 WeakPolarHBondContact CA-O 3.45Å; L31-S38 PolarHBondContact N-O 3.06Å; L31-S38 PolarHBondContact O-N 2.81Å; S38-S55 WeakPolarHBondContact OG-CB 3.45Å |
| 39 | Y | 94.8 | Very high | 84.9 | Confident | 25 Ų | 25 | 67 Ų | 67 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.7 | 174.8 | 53.8 | -95.1 | 0 | 0 | 0 | 112.8 | K12 L29 F30 K53 G54 L111 | K12-Y39 HydrophobicContact CD-CD2 4.11Å; K12-Y39 HydrophobicContact CD-CE2 4Å; L29-Y39 CarbonylContact O-C 3.55Å; L29-Y39 VanDerWaalsContact O-CA 3.23Å; L29-Y39 WeakPolarHBondContact O-CA 3.38Å; F30-Y39 HydrophobicContact CD1-CD1 4.3Å; F30-Y39 HydrophobicContact CD1-CG 4.45Å; F30-Y39 AromaticContact CE1-CD1 3.78Å; F30-Y39 HydrophobicContact CE1-CD1 3.78Å; F30-Y39 HydrophobicContact CE1-CG 4.03Å; F30-Y39 HydrophobicContact CZ-CD1 4.35Å; F30-Y39 HydrophobicContact CZ-CG 4.27Å; Y39-K53 HydrophobicContact CD2-CB 3.83Å; Y39-K53 VanDerWaalsContact CE2-C 3.48Å; Y39-K53 HydrophobicContact CE2-CB 3.86Å; Y39-K53 PolarHBondContact O-N 2.99Å; Y39-G54 VanDerWaalsContact CZ-CA 3.49Å; Y39-G54 PolarHBondContact N-O 3.35Å; Y39-G54 PolarHBondContact O-N 3.45Å; Y39-L111 HydrophobicContact CE1-CD2 4.46Å |
| 40 | Y | 92.5 | Very high | 84.4 | Confident | 31 Ų | 31 | 68.3 Ų | 68.3 | 12% | 0.122 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 159.4 | -168.5 | -57.2 | -102.3 | 0 | 0 | 0 | 110.8 | R28 L29 L31 R49 S51 K52 | R28-Y40 WeakPolarHBondContact CA-O 3.34Å; R28-Y40 WeakPolarHBondContact CD-O 3.42Å; L29-Y40 PolarHBondContact N-O 2.81Å; L29-Y40 PolarHBondContact O-N 2.8Å; L31-Y40 HydrophobicContact CB-CE2 4.26Å; L31-Y40 HydrophobicContact CD1-CD2 4.02Å; L31-Y40 HydrophobicContact CD1-CE2 3.48Å; L31-Y40 VanDerWaalsContact CD1-CE2 3.48Å; L31-Y40 HydrophobicContact CG-CD2 4.15Å; L31-Y40 HydrophobicContact CG-CE2 3.86Å; Y40-R49 HydrophobicContact CD1-CG 3.66Å; Y40-R49 HydrophobicContact CD2-CG 4.27Å; Y40-R49 HydrophobicContact CE1-CG 4.37Å; Y40-R49 HydrophobicContact CG-CG 3.62Å; Y40-S51 WeakPolarHBondContact CA-O 3.37Å; Y40-K52 VanDerWaalsContact CD1-CA 3.45Å; Y40-K52 HydrophobicContact CD1-CB 3.72Å; Y40-K52 HydrophobicContact CD1-CG 4.13Å; Y40-K52 HydrophobicContact CE1-CB 3.59Å; Y40-K52 HydrophobicContact CE1-CD 4.27Å; Y40-K52 HydrophobicContact CE1-CG 3.77Å |
| 41 | E | 88.6 | Confident | 84.1 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 34% | 0.341 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 146.9 | 156.6 | -92.3 | 166.4 | -176.9 | 0 | 0 | 110.1 | G50 S51 K53 | E41-G50 WeakPolarHBondContact O-CA 3.38Å; E41-G50 PolarHBondContact O-N 2.89Å; E41-S51 PolarHBondContact N-O 3.07Å; E41-S51 PolarHBondContact OE2-OG 2.84Å; E41-K53 HydrophobicContact CG-CG 4.26Å; E41-K53 WeakPolarHBondContact OE1-CE 3.24Å; E41-K53 IonicContact OE1-NZ 2.69Å; E41-K53 PolarHBondContact OE1-NZ 3.4Å; E41-K53 WeakPolarHBondContact OE2-CE 3.45Å; E41-K53 IonicContact OE2-NZ 3.61Å; E41-K53 PolarHBondContact OE2-NZ 3.06Å |
| 42 | Y | 81.4 | Confident | 84 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 18% | 0.184 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.2 | 175.3 | -170.2 | -107 | 0 | 0 | 0 | 108.1 | I9 L29 F44 | I9-Y42 HydrophobicContact CD1-CD1 3.56Å; I9-Y42 HydrophobicContact CD1-CD2 4.41Å; I9-Y42 HydrophobicContact CD1-CE1 3.48Å; I9-Y42 VanDerWaalsContact CD1-CE1 3.48Å; I9-Y42 HydrophobicContact CD1-CE2 4.34Å; I9-Y42 HydrophobicContact CD1-CG 4.03Å; I9-Y42 HydrophobicContact CG1-CD1 4.42Å; I9-Y42 HydrophobicContact CG1-CG 4.43Å; L29-Y42 HydrophobicContact CB-CD2 4.06Å; L29-Y42 HydrophobicContact CB-CG 4.5Å; L29-Y42 HydrophobicContact CD1-CD2 4.29Å; L29-Y42 HydrophobicContact CD2-CD2 4.04Å; L29-Y42 HydrophobicContact CD2-CE2 4.5Å; L29-Y42 HydrophobicContact CG-CD2 4.37Å; Y42-F44 HydrophobicContact CD1-CB 4.47Å; Y42-F44 AromaticContact CD1-CD1 3.58Å; Y42-F44 HydrophobicContact CD1-CD1 3.58Å; Y42-F44 AromaticContact CD1-CD2 3.79Å; Y42-F44 HydrophobicContact CD1-CD2 3.79Å; Y42-F44 AromaticContact CD1-CE1 3.59Å; Y42-F44 HydrophobicContact CD1-CE1 3.59Å; Y42-F44 AromaticContact CD1-CE2 3.8Å; Y42-F44 HydrophobicContact CD1-CE2 3.8Å; Y42-F44 AromaticContact CD1-CG 3.67Å; Y42-F44 HydrophobicContact CD1-CG 3.67Å; Y42-F44 AromaticContact CD1-CZ 3.7Å; Y42-F44 HydrophobicContact CD1-CZ 3.7Å; Y42-F44 AromaticContact CE1-CD1 3.61Å; Y42-F44 HydrophobicContact CE1-CD1 3.61Å; Y42-F44 AromaticContact CE1-CE1 3.87Å; Y42-F44 HydrophobicContact CE1-CE1 3.87Å; Y42-F44 AromaticContact CE1-CG 3.98Å; Y42-F44 HydrophobicContact CE1-CG 3.98Å; Y42-F44 HydrophobicContact CE1-CZ 4.44Å |
| 43 | D | 76.6 | Confident | 84 | Confident | 63 Ų | 63 | 79.7 Ų | 79.7 | 34% | 0.337 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 102.6 | 173.1 | -173.9 | -17.4 | 0 | 0 | 0 | 107.7 | E45 R46 G47 R48 | D43-E45 VanDerWaalsContact C-N 3.29Å; D43-E45 WeakPolarHBondContact OD1-CB 3.47Å; D43-E45 PolarHBondContact OD1-N 3.45Å; D43-E45 VanDerWaalsContact OD1-N 3.1Å; D43-R46 HydrophobicContact CB-CB 4.41Å; D43-R46 PolarHBondContact O-N 2.95Å; D43-R46 PolarHBondContact OD1-N 2.94Å; D43-R46 WeakPolarHBondContact OD2-CD 3.3Å; D43-R46 WeakPolarHBondContact OD2-CG 3.49Å; D43-G47 PolarHBondContact O-N 2.83Å; D43-R48 PolarHBondContact N-O 3.01Å; D43-R48 VanDerWaalsContact N-O 3.08Å; D43-R48 PolarHBondContact O-N 3Å |
| 44 | F | 68.1 | Low | 84 | Confident | 91 Ų | 91 | 79.5 Ų | 79.5 | 40% | 0.399 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -26.8 | -178.5 | -70.9 | -89.8 | 0 | 0 | 0 | 112.3 | I9 K27 Y42 | I9-F44 HydrophobicContact CD1-CE1 3.8Å; I9-F44 HydrophobicContact CD1-CZ 4.2Å; I9-F44 HydrophobicContact CG2-CZ 4.1Å; K27-F44 HydrophobicContact CB-CE2 4.29Å; K27-F44 HydrophobicContact CB-CZ 4.22Å; K27-F44 HydrophobicContact CD-CE2 4.06Å; K27-F44 HydrophobicContact CD-CZ 3.72Å; Y42-F44 HydrophobicContact CD1-CB 4.47Å; Y42-F44 AromaticContact CD1-CD1 3.58Å; Y42-F44 HydrophobicContact CD1-CD1 3.58Å; Y42-F44 AromaticContact CD1-CD2 3.79Å; Y42-F44 HydrophobicContact CD1-CD2 3.79Å; Y42-F44 AromaticContact CD1-CE1 3.59Å; Y42-F44 HydrophobicContact CD1-CE1 3.59Å; Y42-F44 AromaticContact CD1-CE2 3.8Å; Y42-F44 HydrophobicContact CD1-CE2 3.8Å; Y42-F44 AromaticContact CD1-CG 3.67Å; Y42-F44 HydrophobicContact CD1-CG 3.67Å; Y42-F44 AromaticContact CD1-CZ 3.7Å; Y42-F44 HydrophobicContact CD1-CZ 3.7Å; Y42-F44 AromaticContact CE1-CD1 3.61Å; Y42-F44 HydrophobicContact CE1-CD1 3.61Å; Y42-F44 AromaticContact CE1-CE1 3.87Å; Y42-F44 HydrophobicContact CE1-CE1 3.87Å; Y42-F44 AromaticContact CE1-CG 3.98Å; Y42-F44 HydrophobicContact CE1-CG 3.98Å; Y42-F44 HydrophobicContact CE1-CZ 4.44Å |
| 45 | E | 63.7 | Low | 84.2 | Confident | 181 Ų | 181 | 78 Ų | 78 | 85% | 0.846 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -32.2 | 179.1 | -64 | -64.9 | 145.4 | 0 | 0 | 111.7 | D43 | D43-E45 VanDerWaalsContact C-N 3.29Å; D43-E45 WeakPolarHBondContact OD1-CB 3.47Å; D43-E45 PolarHBondContact OD1-N 3.45Å; D43-E45 VanDerWaalsContact OD1-N 3.1Å |
| 46 | R | 61.5 | Low | 84.4 | Confident | 188 Ų | 188 | 72.2 Ų | 72.2 | 71% | 0.709 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -2.6 | -175.4 | -62.1 | -173 | 173.3 | -160.2 | -2.9 | 114.4 | D43 R48 | D43-R46 HydrophobicContact CB-CB 4.41Å; D43-R46 PolarHBondContact O-N 2.95Å; D43-R46 PolarHBondContact OD1-N 2.94Å; D43-R46 WeakPolarHBondContact OD2-CD 3.3Å; D43-R46 WeakPolarHBondContact OD2-CG 3.49Å; R46-R48 HydrophobicContact CB-CB 4.5Å; R46-R48 WeakPolarHBondContact O-CG 3.43Å; R46-R48 PolarHBondContact O-N 2.89Å |
| 47 | G | 67.7 | Low | 84.4 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 31.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D43 | D43-G47 PolarHBondContact O-N 2.83Š|
| 48 | R | 74.6 | Confident | 84.3 | Confident | 183 Ų | 183 | 70.3 Ų | 70.3 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 145 | -170.4 | -77.8 | 175.5 | -171.2 | -169.9 | 3.8 | 112.8 | D43 R46 G50 | D43-R48 PolarHBondContact N-O 3.01Å; D43-R48 VanDerWaalsContact N-O 3.08Å; D43-R48 PolarHBondContact O-N 3Å; R46-R48 HydrophobicContact CB-CB 4.5Å; R46-R48 WeakPolarHBondContact O-CG 3.43Å; R46-R48 PolarHBondContact O-N 2.89Å; R48-G50 PolarHBondContact O-N 3.22Å |
| 49 | R | 80.9 | Confident | 84.1 | Confident | 144 Ų | 144 | 76.2 Ų | 76.2 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 119.8 | 171.4 | -177.1 | 178.9 | 74.9 | -174.8 | -3.3 | 110.3 | L29 Y40 | L29-R49 HydrophobicContact CD2-CB 3.92Å; L29-R49 HydrophobicContact CD2-CG 3.94Å; Y40-R49 HydrophobicContact CD1-CG 3.66Å; Y40-R49 HydrophobicContact CD2-CG 4.27Å; Y40-R49 HydrophobicContact CE1-CG 4.37Å; Y40-R49 HydrophobicContact CG-CG 3.62Å |
| 50 | G | 82.4 | Confident | 84.1 | Confident | 33 Ų | 33 | 79.2 Ų | 79.2 | 34% | 0.34 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -152.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E41 R48 | E41-G50 WeakPolarHBondContact O-CA 3.38Å; E41-G50 PolarHBondContact O-N 2.89Å; R48-G50 PolarHBondContact O-N 3.22Å |
| 51 | S | 87.5 | Confident | 84.2 | Confident | 56 Ų | 56 | 77.8 Ų | 77.8 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 142.6 | -176.4 | 71.5 | 0 | 0 | 0 | 0 | 113 | Y40 E41 K53 | Y40-S51 WeakPolarHBondContact CA-O 3.37Å; E41-S51 PolarHBondContact N-O 3.07Å; E41-S51 PolarHBondContact OE2-OG 2.84Å; S51-K53 PolarHBondContact O-N 2.89Å; S51-K53 WeakPolarHBondContact OG-CE 3.4Å; S51-K53 PolarHBondContact OG-NZ 3.42Å |
| 52 | K | 92.3 | Very high | 84.3 | Confident | 106 Ų | 106 | 75.6 Ų | 75.6 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 128.7 | 174.2 | -171.8 | 179.3 | 176.3 | -174.1 | 0 | 109.7 | Y40 G54 S55 | Y40-K52 VanDerWaalsContact CD1-CA 3.45Å; Y40-K52 HydrophobicContact CD1-CB 3.72Å; Y40-K52 HydrophobicContact CD1-CG 4.13Å; Y40-K52 HydrophobicContact CE1-CB 3.59Å; Y40-K52 HydrophobicContact CE1-CD 4.27Å; Y40-K52 HydrophobicContact CE1-CG 3.77Å; K52-G54 WeakPolarHBondContact CE-O 3.43Å; K52-S55 WeakPolarHBondContact CE-OG 3.38Å; K52-S55 PolarHBondContact NZ-OG 3.03Å |
| 53 | K | 93 | Very high | 84.9 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -18.5 | 179.3 | -66.2 | -52.5 | -172.6 | -164.6 | 0 | 114.4 | Y39 E41 S51 | Y39-K53 HydrophobicContact CD2-CB 3.83Å; Y39-K53 VanDerWaalsContact CE2-C 3.48Å; Y39-K53 HydrophobicContact CE2-CB 3.86Å; Y39-K53 PolarHBondContact O-N 2.99Å; E41-K53 HydrophobicContact CG-CG 4.26Å; E41-K53 WeakPolarHBondContact OE1-CE 3.24Å; E41-K53 IonicContact OE1-NZ 2.69Å; E41-K53 PolarHBondContact OE1-NZ 3.4Å; E41-K53 WeakPolarHBondContact OE2-CE 3.45Å; E41-K53 IonicContact OE2-NZ 3.61Å; E41-K53 PolarHBondContact OE2-NZ 3.06Å; S51-K53 PolarHBondContact O-N 2.89Å; S51-K53 WeakPolarHBondContact OG-CE 3.4Å; S51-K53 PolarHBondContact OG-NZ 3.42Å |
| 54 | G | 91.6 | Very high | 85.7 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 19% | 0.186 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y39 K52 | Y39-G54 VanDerWaalsContact CZ-CA 3.49Å; Y39-G54 PolarHBondContact N-O 3.35Å; Y39-G54 PolarHBondContact O-N 3.45Å; K52-G54 WeakPolarHBondContact CE-O 3.43Å |
| 55 | S | 94.3 | Very high | 87 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 32% | 0.322 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 148.2 | 173.7 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | L37 S38 K52 | L37-S55 CarbonylContact O-C 3.55Å; L37-S55 VanDerWaalsContact O-CA 3.23Å; L37-S55 WeakPolarHBondContact O-CA 3.28Å; S38-S55 WeakPolarHBondContact OG-CB 3.45Å; K52-S55 WeakPolarHBondContact CE-OG 3.38Å; K52-S55 PolarHBondContact NZ-OG 3.03Å |
| 56 | I | 94.3 | Very high | 88.5 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.2 | 171.4 | -59.9 | 168.2 | 0 | 0 | 0 | 106.6 | K36 L37 I61 V104 Y106 L111 | K36-I56 CarbonylContact C-O 3.57Å; K36-I56 WeakPolarHBondContact CA-O 3.47Å; L37-I56 HydrophobicContact CB-CB 4.46Å; L37-I56 PolarHBondContact N-O 2.68Å; L37-I56 PolarHBondContact O-N 3.06Å; I56-I61 HydrophobicContact CG2-CD1 4.33Å; I56-I61 HydrophobicContact CG2-CG1 3.84Å; I56-V104 HydrophobicContact CD1-CG1 4.49Å; I56-Y106 HydrophobicContact CD1-CD1 3.78Å; I56-Y106 HydrophobicContact CD1-CE1 3.54Å; I56-Y106 HydrophobicContact CD1-CG 4.36Å; I56-Y106 HydrophobicContact CG1-CD1 4.36Å; I56-Y106 HydrophobicContact CG1-CD2 4.4Å; I56-Y106 HydrophobicContact CG1-CE1 4.06Å; I56-Y106 HydrophobicContact CG1-CE2 4.16Å; I56-Y106 HydrophobicContact CG2-CD1 4.33Å; I56-Y106 HydrophobicContact CG2-CD2 3.87Å; I56-Y106 HydrophobicContact CG2-CE2 4.42Å; I56-Y106 HydrophobicContact CG2-CG 3.86Å; I56-L111 HydrophobicContact CD1-CB 4.24Å; I56-L111 HydrophobicContact CD1-CD2 3.58Å |
| 57 | D | 94.4 | Very high | 90.1 | Very high | 44 Ų | 44 | 52.5 Ų | 52.5 | 24% | 0.235 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 129.4 | 172.2 | -61.6 | -42.1 | 0 | 0 | 0 | 108.6 | K36 E59 K60 | K36-D57 WeakPolarHBondContact CE-OD1 3.5Å; K36-D57 WeakPolarHBondContact CG-OD1 3.38Å; K36-D57 IonicContact NZ-OD1 2.79Å; K36-D57 PolarHBondContact NZ-OD1 2.74Å; D57-E59 HydrophobicContact CB-CG 4.15Å; D57-E59 PolarHBondContact O-N 2.86Å; D57-K60 HydrophobicContact CB-CD 4.2Å; D57-K60 HydrophobicContact CB-CG 4.21Å; D57-K60 WeakPolarHBondContact O-CB 3.39Å; D57-K60 PolarHBondContact O-N 2.82Å |
| 58 | V | 93.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -61.7 | -34.6 | -171.7 | 163.8 | 0 | 0 | 0 | 0 | 111.6 | L32 H35 K60 I61 V131 I132 N135 | L32-V58 HydrophobicContact CD1-CG2 4.14Å; H35-V58 WeakPolarHBondContact O-CB 3.3Å; H35-V58 PolarHBondContact O-N 3.33Å; V58-K60 PolarHBondContact O-N 2.84Å; V58-I61 HydrophobicContact CG2-CD1 4.38Å; V58-I61 WeakPolarHBondContact O-CB 3.43Å; V58-I61 PolarHBondContact O-N 2.83Å; V58-I61 VanDerWaalsContact O-N 3.09Å; V58-V131 HydrophobicContact CG1-CB 4.49Å; V58-V131 HydrophobicContact CG1-CG1 3.47Å; V58-V131 VanDerWaalsContact CG1-CG1 3.47Å; V58-I132 HydrophobicContact CG1-CG2 4.09Å; V58-N135 PolarHBondContact O-ND2 2.98Å |
| 59 | E | 92.9 | Very high | 91.9 | Very high | 134 Ų | 134 | 48.1 Ų | 48.1 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -58.9 | -26.8 | 175.6 | 68 | -170.5 | 178 | 0 | 0 | 113.4 | D57 I61 N135 | D57-E59 HydrophobicContact CB-CG 4.15Å; D57-E59 PolarHBondContact O-N 2.86Å; E59-I61 VanDerWaalsContact C-N 3.34Å; E59-N135 PolarHBondContact O-ND2 3.46Å |
| 60 | K | 93.1 | Very high | 92.1 | Very high | 87 Ų | 87 | 43.3 Ų | 43.3 | 38% | 0.378 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -85.5 | -8 | 180 | -61.7 | -176.9 | 163.5 | -152.6 | 0 | 113.4 | D57 V58 T62 Y106 D107 | D57-K60 HydrophobicContact CB-CD 4.2Å; D57-K60 HydrophobicContact CB-CG 4.21Å; D57-K60 WeakPolarHBondContact O-CB 3.39Å; D57-K60 PolarHBondContact O-N 2.82Å; V58-K60 PolarHBondContact O-N 2.84Å; K60-T62 PolarHBondContact O-N 3.49Å; K60-Y106 WeakPolarHBondContact O-CA 3.43Å; K60-Y106 VanDerWaalsContact O-CB 3.31Å; K60-Y106 WeakPolarHBondContact O-CB 3.39Å; K60-D107 WeakPolarHBondContact CD-OD2 3.49Å; K60-D107 IonicContact NZ-OD2 2.87Å; K60-D107 PolarHBondContact NZ-OD2 3.3Å |
| 61 | I | 94.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -77.5 | 123 | -179.3 | -59.3 | 174.9 | 0 | 0 | 0 | 108.2 | I56 V58 E59 V64 V104 V105 L128 I132 N135 | I56-I61 HydrophobicContact CG2-CD1 4.33Å; I56-I61 HydrophobicContact CG2-CG1 3.84Å; V58-I61 HydrophobicContact CG2-CD1 4.38Å; V58-I61 WeakPolarHBondContact O-CB 3.43Å; V58-I61 PolarHBondContact O-N 2.83Å; V58-I61 VanDerWaalsContact O-N 3.09Å; E59-I61 VanDerWaalsContact C-N 3.34Å; I61-V64 HydrophobicContact CG2-CG2 3.66Å; I61-V104 HydrophobicContact CD1-CG1 3.87Å; I61-V104 HydrophobicContact CG1-CG1 3.99Å; I61-V104 HydrophobicContact CG2-CG1 3.89Å; I61-V105 WeakPolarHBondContact CA-O 3.48Å; I61-L128 HydrophobicContact CD1-CD2 4.43Å; I61-I132 HydrophobicContact CB-CG2 3.8Å; I61-I132 HydrophobicContact CD1-CG2 4.36Å; I61-I132 HydrophobicContact CG2-CD1 4.06Å; I61-I132 HydrophobicContact CG2-CG2 3.88Å; I61-N135 PolarHBondContact O-ND2 2.9Å | ||
| 62 | T | 92.4 | Very high | 91.7 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 17% | 0.172 | 29% | 0.287 | C | S | . | . | trans | -103.8 | -24.8 | -176.4 | 61.3 | 0 | 0 | 0 | 0 | 112.7 | K60 V105 D137 V139 | K60-T62 PolarHBondContact O-N 3.49Å; T62-V105 PolarHBondContact N-O 2.81Å; T62-V105 PolarHBondContact OG1-O 2.94Å; T62-D137 VanDerWaalsContact CB-O 3.26Å; T62-D137 WeakPolarHBondContact CB-O 3.35Å; T62-D137 HydrophobicContact CG2-CB 4.18Å; T62-D137 WeakPolarHBondContact CG2-O 3.46Å; T62-V139 PolarHBondContact O-N 3.03Å; T62-V139 VanDerWaalsContact O-N 3.15Å | ||
| 63 | C | 92.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 144.5 | 177.3 | 174.5 | 0 | 0 | 0 | 0 | 112 | V105 V139 | C63-V105 HydrophobicContact CB-CB 4.08Å; C63-V105 HydrophobicContact CB-CG2 4.15Å; C63-V105 PolarHBondContact O-N 2.84Å; C63-V139 HydrophobicContact CB-CG2 3.52Å |
| 64 | V | 95.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 123 | 168.8 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | I61 F102 Q103 V104 I125 L128 K129 I132 | I61-V64 HydrophobicContact CG2-CG2 3.66Å; V64-F102 HydrophobicContact CG1-CD2 4.44Å; V64-Q103 WeakPolarHBondContact CA-O 3.48Å; V64-V104 HydrophobicContact CG1-CG2 4.46Å; V64-V104 HydrophobicContact CG2-CB 4.47Å; V64-V104 HydrophobicContact CG2-CG1 4.18Å; V64-V104 HydrophobicContact CG2-CG2 4.25Å; V64-I125 HydrophobicContact CG1-CB 4.43Å; V64-I125 HydrophobicContact CG1-CG1 4.16Å; V64-I125 HydrophobicContact CG1-CG2 4.36Å; V64-L128 HydrophobicContact CB-CB 4.17Å; V64-L128 HydrophobicContact CG1-CB 3.97Å; V64-L128 HydrophobicContact CG1-CD1 3.77Å; V64-L128 HydrophobicContact CG2-CB 3.92Å; V64-L128 HydrophobicContact CG2-CD1 4.24Å; V64-K129 WeakPolarHBondContact O-CE 3.25Å; V64-I132 HydrophobicContact CG2-CD1 4.24Å |
| 65 | E | 95.4 | Very high | 90.4 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 165.9 | -178 | -163.4 | 42.9 | -95.6 | 0 | 0 | 112.1 | F102 Q103 K129 Y142 L168 | E65-F102 CarbonylContact O-C 3.59Å; E65-F102 WeakPolarHBondContact O-CA 3.42Å; E65-F102 WeakPolarHBondContact O-CB 3.5Å; E65-Q103 PolarHBondContact N-O 2.8Å; E65-Q103 WeakPolarHBondContact O-CG 3.35Å; E65-Q103 PolarHBondContact O-N 2.81Å; E65-K129 WeakPolarHBondContact OE2-CE 3.5Å; E65-K129 IonicContact OE2-NZ 2.69Å; E65-K129 PolarHBondContact OE2-NZ 3.22Å; E65-Y142 HydrophobicContact CB-CD2 3.79Å; E65-Y142 HydrophobicContact CB-CE2 3.81Å; E65-Y142 HydrophobicContact CB-CG 4.35Å; E65-Y142 HydrophobicContact CG-CD2 3.79Å; E65-Y142 HydrophobicContact CG-CE1 4.1Å; E65-Y142 HydrophobicContact CG-CE2 3.29Å; E65-Y142 HydrophobicContact CG-CG 4.36Å; E65-Y142 VanDerWaalsContact CG-CZ 3.47Å; E65-L168 HydrophobicContact CB-CD2 4.47Å; E65-L168 HydrophobicContact CG-CD2 4.3Å |
| 66 | T | 95 | Very high | 89.7 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 158.4 | 169.9 | 55.6 | 0 | 0 | 0 | 0 | 112 | Q103 I125 | T66-Q103 PolarHBondContact O-NE2 3.45Å; T66-I125 HydrophobicContact CG2-CD1 3.48Å; T66-I125 VanDerWaalsContact CG2-CD1 3.48Å |
| 67 | V | 94.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | trans | -124.2 | 141.8 | 172.9 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | P69 P101 Q103 Y112 P144 F146 | V67-P69 WeakPolarHBondContact O-CD 3.17Å; V67-P101 HydrophobicContact CB-CB 4.14Å; V67-P101 HydrophobicContact CB-CG 4.25Å; V67-P101 PolarHBondContact N-O 2.94Å; V67-P101 WeakPolarHBondContact O-CG 3.43Å; V67-Q103 HydrophobicContact CG2-CB 3.65Å; V67-Q103 HydrophobicContact CG2-CG 3.9Å; V67-Y112 HydrophobicContact CG1-CE1 4.47Å; V67-Y112 HydrophobicContact CG2-CD1 3.99Å; V67-Y112 HydrophobicContact CG2-CE1 4.07Å; V67-P144 CarbonylContact C-O 3.56Å; V67-P144 WeakPolarHBondContact CA-O 3.14Å; V67-F146 HydrophobicContact CB-CE1 4.4Å; V67-F146 HydrophobicContact CB-CZ 4.35Å; V67-F146 HydrophobicContact CG1-CD1 3.79Å; V67-F146 HydrophobicContact CG1-CD2 3.91Å; V67-F146 HydrophobicContact CG1-CE1 3.7Å; V67-F146 HydrophobicContact CG1-CE2 3.79Å; V67-F146 HydrophobicContact CG1-CG 3.91Å; V67-F146 HydrophobicContact CG1-CZ 3.7Å | ||
| 68 | V | 91.4 | Very high | 88.7 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 123.3 | 173.3 | 178 | 0 | 0 | 0 | 0 | 108.8 | P144 F146 | V68-P144 HydrophobicContact CG2-CB 4.34Å; V68-P144 WeakPolarHBondContact CG2-O 2.89Å; V68-P144 PolarHBondContact N-O 3.37Å; V68-F146 WeakPolarHBondContact O-CE2 3.42Å |
| 69 | P | 88.6 | Confident | 88 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 153.3 | 178.4 | -25.6 | 34.6 | 0 | 0 | 0 | 113 | V67 I79 P101 | V67-P69 WeakPolarHBondContact O-CD 3.17Å; P69-I79 HydrophobicContact CG-CD1 4.35Å; P69-P101 HydrophobicContact CG-CG 4.43Å |
| 70 | E | 84.7 | Confident | 86.8 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 20% | 0.201 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 144.2 | 173.9 | -57.2 | -179.8 | 131.5 | 0 | 0 | 109.5 | N72 P73 R77 F146 | E70-N72 VanDerWaalsContact C-N 3.35Å; E70-N72 PolarHBondContact O-N 3.3Å; E70-P73 HydrophobicContact CB-CB 4.31Å; E70-P73 WeakPolarHBondContact O-CD 3.48Å; E70-R77 IonicContact OE2-CZ 2.84Å; E70-R77 IonicContact OE2-NE 3.73Å; E70-R77 PolarHBondContact OE2-NE 2.92Å; E70-R77 IonicContact OE2-NH2 2.9Å; E70-R77 PolarHBondContact OE2-NH2 3.03Å; E70-F146 HydrophobicContact CG-CD2 3.99Å; E70-F146 HydrophobicContact CG-CE2 3.62Å; E70-F146 HydrophobicContact CG-CZ 4.45Å |
| 71 | K | 79.2 | Confident | 85.5 | Confident | 201 Ų | 201 | 64.4 Ų | 64.4 | 87% | 0.874 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -64.1 | -40.9 | -179.8 | -68.8 | -175.2 | 178.8 | -178.2 | 0 | 112.1 | ||
| 72 | N | 83.4 | Confident | 83.5 | Confident | 156 Ų | 156 | 76.8 Ų | 76.8 | 83% | 0.834 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -130.1 | 72.6 | -177 | -63.9 | -13.9 | 0 | 0 | 0 | 110.6 | E70 | E70-N72 VanDerWaalsContact C-N 3.35Å; E70-N72 PolarHBondContact O-N 3.3Å |
| 73 | P | 84.9 | Confident | 81.7 | Confident | 22 Ų | 22 | 79.2 Ų | 79.2 | 14% | 0.143 | 41% | 0.407 | C | S | . | . | trans | -76.6 | 154.5 | 178.5 | 27.8 | -25.6 | 0 | 0 | 0 | 111.5 | E70 R77 Q78 | E70-P73 HydrophobicContact CB-CB 4.31Å; E70-P73 WeakPolarHBondContact O-CD 3.48Å; P73-R77 HydrophobicContact CB-CB 3.82Å; P73-R77 WeakPolarHBondContact CG-O 3.46Å; P73-Q78 HydrophobicContact CG-CG 3.89Å; P73-Q78 WeakPolarHBondContact O-CG 3.35Å; P73-Q78 PolarHBondContact O-NE2 2.91Å | ||
| 74 | P | 82.9 | Confident | 79.7 | Confident | 50 Ų | 50 | 86.3 Ų | 86.3 | 33% | 0.325 | 44% | 0.44 | S | S | . | . | trans | -63.3 | 162.7 | 169.4 | 28.7 | -34 | 0 | 0 | 0 | 111.1 | E76 R77 Q78 | P74-E76 HydrophobicContact CB-CG 4.16Å; P74-E76 HydrophobicContact CG-CG 3.9Å; P74-E76 PolarHBondContact O-N 3.31Å; P74-E76 VanDerWaalsContact O-N 3.08Å; P74-R77 VanDerWaalsContact CD-CZ 3.42Å; P74-R77 VanDerWaalsContact CG-NH1 3.27Å; P74-R77 PolarHBondContact O-N 3.06Å; P74-Q78 PolarHBondContact O-N 2.83Å | ||
| 75 | P | 80.4 | Confident | 77.4 | Confident | 95 Ų | 95 | 90.2 Ų | 90.2 | 62% | 0.617 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -51.9 | -36.8 | -174 | -28.9 | 35.6 | 0 | 0 | 0 | 114.7 | R77 Q78 | P75-R77 PolarHBondContact O-N 3.26Å; P75-R77 VanDerWaalsContact O-N 3.09Å; P75-Q78 PolarHBondContact O-N 2.99Å |
| 76 | E | 81.3 | Confident | 75.3 | Confident | 78 Ų | 78 | 92 Ų | 92 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -61.4 | -14 | 175.6 | 52.2 | 161.5 | -142.9 | 0 | 0 | 114.6 | P74 R97 F98 | P74-E76 HydrophobicContact CB-CG 4.16Å; P74-E76 HydrophobicContact CG-CG 3.9Å; P74-E76 PolarHBondContact O-N 3.31Å; P74-E76 VanDerWaalsContact O-N 3.08Å; E76-R97 CarbonylContact O-C 3.49Å; E76-R97 WeakPolarHBondContact O-CA 3.11Å; E76-F98 PolarHBondContact O-N 2.97Å |
| 77 | R | 84.5 | Confident | 73.3 | Confident | 20 Ų | 20 | 94.5 Ų | 94.5 | 8% | 0.075 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -128.8 | 11.4 | -179.5 | -60.5 | -167.8 | -55.9 | -89.3 | 10.5 | 113.1 | L11 E70 P73 P74 P75 P99 F114 | L11-R77 HydrophobicContact CD2-CG 3.91Å; E70-R77 IonicContact OE2-CZ 2.84Å; E70-R77 IonicContact OE2-NE 3.73Å; E70-R77 PolarHBondContact OE2-NE 2.92Å; E70-R77 IonicContact OE2-NH2 2.9Å; E70-R77 PolarHBondContact OE2-NH2 3.03Å; P73-R77 HydrophobicContact CB-CB 3.82Å; P73-R77 WeakPolarHBondContact CG-O 3.46Å; P74-R77 VanDerWaalsContact CD-CZ 3.42Å; P74-R77 VanDerWaalsContact CG-NH1 3.27Å; P74-R77 PolarHBondContact O-N 3.06Å; P75-R77 PolarHBondContact O-N 3.26Å; P75-R77 VanDerWaalsContact O-N 3.09Å; R77-P99 WeakPolarHBondContact O-CA 3.25Å; R77-P99 WeakPolarHBondContact O-CB 3.48Å; R77-F114 HydrophobicContact CG-CD1 4.47Å |
| 78 | Q | 83.3 | Confident | 71.1 | Confident | 99 Ų | 99 | 101.8 Ų | 101.8 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -79 | 134.8 | 174.4 | -76.9 | 174.9 | 13.5 | 0 | 0 | 110.5 | P73 P74 P75 P80 P99 | P73-Q78 HydrophobicContact CG-CG 3.89Å; P73-Q78 WeakPolarHBondContact O-CG 3.35Å; P73-Q78 PolarHBondContact O-NE2 2.91Å; P74-Q78 PolarHBondContact O-N 2.83Å; P75-Q78 PolarHBondContact O-N 2.99Å; Q78-P80 WeakPolarHBondContact O-CD 3.21Å; Q78-P99 WeakPolarHBondContact O-CB 3.37Å |
| 79 | I | 78.3 | Confident | 69.1 | Low | 90 Ų | 90 | 103.4 Ų | 103.4 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 123.8 | 174.3 | -60.1 | 167.8 | 0 | 0 | 0 | 107.5 | P69 P99 Y100 | P69-I79 HydrophobicContact CG-CD1 4.35Å; I79-P99 HydrophobicContact CB-CB 4.4Å; I79-P99 HydrophobicContact CG1-CB 3.8Å; I79-Y100 HydrophobicContact CG1-CE1 4.44Å; I79-Y100 HydrophobicContact CG2-CE1 4.42Å |
| 80 | P | 67.8 | Low | 67.6 | Low | 48 Ų | 48 | 105.8 Ų | 105.8 | 31% | 0.312 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 146.8 | 179.3 | 22.2 | -29.3 | 0 | 0 | 0 | 111.6 | Q78 E85 | Q78-P80 WeakPolarHBondContact O-CD 3.21Å; P80-E85 WeakPolarHBondContact CB-OE1 3.5Å |
| 81 | R | 66.1 | Low | 66 | Low | 205 Ų | 205 | 110.4 Ų | 110.4 | 77% | 0.774 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 136.5 | 175.8 | -67.8 | -178.9 | 177.9 | -179.9 | 0 | 108.8 | G83 | R81-G83 PolarHBondContact O-N 3.22Å; R81-G83 VanDerWaalsContact O-N 3.11Å |
| 82 | R | 52.2 | Low | 64.8 | Low | 261 Ų | 261 | 105.3 Ų | 105.3 | 99% | 0.985 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 116.4 | 177.1 | -88.1 | -175.5 | 175.9 | -175.1 | -1.7 | 109.9 | ||
| 83 | G | 54.3 | Low | 63.5 | Low | 80 Ų | 80 | 98.8 Ų | 98.8 | 83% | 0.825 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.9 | 3.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | R81 | R81-G83 PolarHBondContact O-N 3.22Å; R81-G83 VanDerWaalsContact O-N 3.11Å |
| 84 | E | 50.1 | Low | 62.4 | Low | 151 Ų | 151 | 100.3 Ų | 100.3 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | trans | -114.3 | 23.8 | -173.6 | -73.4 | -175.9 | 169.4 | 0 | 0 | 115.6 | ||||
| 85 | E | 46.9 | Very low | 61.6 | Low | 84 Ų | 84 | 101.6 Ų | 101.6 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | trans | -121.4 | 114.2 | -175.3 | -67 | -176.7 | 173.5 | 0 | 0 | 112.5 | P80 R97 | P80-E85 WeakPolarHBondContact CB-OE1 3.5Å; E85-R97 IonicContact OE1-NH1 2.82Å | ||
| 86 | S | 51.4 | Low | 61.2 | Low | 65 Ų | 65 | 102.4 Ų | 102.4 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | trans | -77.8 | 156.6 | 160.7 | 61.9 | 0 | 0 | 0 | 0 | 110 | E88 M89 E90 | S86-E88 PolarHBondContact O-N 3.35Å; S86-E88 VanDerWaalsContact O-N 3.09Å; S86-M89 PolarHBondContact O-N 3.14Å; S86-E90 PolarHBondContact O-N 3.2Å; S86-E90 VanDerWaalsContact O-N 3.14Å | ||
| 87 | S | 53 | Low | 61.3 | Low | 100 Ų | 100 | 104 Ų | 104 | 70% | 0.699 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -53.8 | -30.7 | -177.4 | 174.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 88 | E | 47.7 | Very low | 61.5 | Low | 158 Ų | 158 | 103.1 Ų | 103.1 | 74% | 0.738 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -80.1 | -33.2 | 178.8 | -66.9 | 179.5 | 154.7 | 0 | 0 | 112.2 | S86 E90 | S86-E88 PolarHBondContact O-N 3.35Å; S86-E88 VanDerWaalsContact O-N 3.09Å; E88-E90 VanDerWaalsContact C-N 3.33Å |
| 89 | M | 50.8 | Low | 61.8 | Low | 112 Ų | 112 | 98.6 Ų | 98.6 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.3 | -32 | 174.1 | -83 | 179.3 | 139.9 | 0 | 0 | 111.9 | S86 I92 S93 | S86-M89 PolarHBondContact O-N 3.14Å; M89-I92 PolarHBondContact O-N 3.5Å; M89-S93 WeakPolarHBondContact O-CB 3.49Å; M89-S93 PolarHBondContact O-N 2.72Å; M89-S93 PolarHBondContact O-OG 3.22Å |
| 90 | E | 55.5 | Low | 62.5 | Low | 104 Ų | 104 | 96.5 Ų | 96.5 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 178.4 | -162.1 | 172.2 | -175.5 | 0 | 0 | 111.1 | S86 E88 S93 I94 | S86-E90 PolarHBondContact O-N 3.2Å; S86-E90 VanDerWaalsContact O-N 3.14Å; E88-E90 VanDerWaalsContact C-N 3.33Å; E90-S93 PolarHBondContact O-N 2.7Å; E90-S93 PolarHBondContact O-OG 2.93Å; E90-I94 HydrophobicContact CG-CD1 4.36Å; E90-I94 WeakPolarHBondContact O-CD1 2.97Å; E90-I94 VanDerWaalsContact O-CG1 3.27Å; E90-I94 WeakPolarHBondContact O-CG1 3.47Å; E90-I94 PolarHBondContact O-N 3.12Å; E90-I94 VanDerWaalsContact O-N 3.11Å |
| 91 | Q | 51.9 | Low | 63.8 | Low | 140 Ų | 140 | 94.2 Ų | 94.2 | 65% | 0.654 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.4 | -39.7 | 179.7 | -158.8 | 169.4 | 20.3 | 0 | 0 | 112.9 | ||
| 92 | I | 53.5 | Low | 65.3 | Low | 94 Ų | 94 | 84.6 Ų | 84.6 | 48% | 0.482 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 174.6 | -62.4 | 171.2 | 0 | 0 | 0 | 110.7 | M89 I94 I95 E96 | M89-I92 PolarHBondContact O-N 3.5Å; I92-I94 VanDerWaalsContact C-N 3.33Å; I92-I94 PolarHBondContact O-N 3.48Å; I92-I95 WeakPolarHBondContact O-CG1 3.4Å; I92-I95 PolarHBondContact O-N 3.05Å; I92-E96 PolarHBondContact O-N 3.32Å |
| 93 | S | 57.7 | Low | 67.4 | Low | 19 Ų | 19 | 72.2 Ų | 72.2 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 179.9 | 80.2 | 0 | 0 | 0 | 0 | 112.7 | M89 E90 I95 E96 R97 | M89-S93 WeakPolarHBondContact O-CB 3.49Å; M89-S93 PolarHBondContact O-N 2.72Å; M89-S93 PolarHBondContact O-OG 3.22Å; E90-S93 PolarHBondContact O-N 2.7Å; E90-S93 PolarHBondContact O-OG 2.93Å; S93-I95 VanDerWaalsContact C-N 3.25Å; S93-I95 PolarHBondContact O-N 3.21Å; S93-E96 PolarHBondContact O-N 3.06Å; S93-R97 WeakPolarHBondContact O-CB 3.44Å; S93-R97 PolarHBondContact O-N 3.1Å |
| 94 | I | 60.9 | Low | 69.4 | Low | 54 Ų | 54 | 68.4 Ų | 68.4 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.7 | -26.5 | -177.6 | -73.4 | 164.8 | 0 | 0 | 0 | 112.6 | E90 I92 P116 T117 | E90-I94 HydrophobicContact CG-CD1 4.36Å; E90-I94 WeakPolarHBondContact O-CD1 2.97Å; E90-I94 VanDerWaalsContact O-CG1 3.27Å; E90-I94 WeakPolarHBondContact O-CG1 3.47Å; E90-I94 PolarHBondContact O-N 3.12Å; E90-I94 VanDerWaalsContact O-N 3.11Å; I92-I94 VanDerWaalsContact C-N 3.33Å; I92-I94 PolarHBondContact O-N 3.48Å; I94-P116 HydrophobicContact CG2-CB 4.35Å; I94-P116 HydrophobicContact CG2-CG 4.31Å; I94-P116 WeakPolarHBondContact O-CB 3.44Å; I94-T117 HydrophobicContact CG1-CG2 4.22Å |
| 95 | I | 65.6 | Low | 71.4 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -99.7 | -15.6 | 179.9 | 53 | 168.7 | 0 | 0 | 0 | 113.5 | K27 I92 S93 F98 | K27-I95 WeakPolarHBondContact CE-O 3.48Å; K27-I95 PolarHBondContact NZ-O 3Å; I92-I95 WeakPolarHBondContact O-CG1 3.4Å; I92-I95 PolarHBondContact O-N 3.05Å; S93-I95 VanDerWaalsContact C-N 3.25Å; S93-I95 PolarHBondContact O-N 3.21Å; I95-F98 WeakPolarHBondContact O-CE2 3.45Å |
| 96 | E | 72.4 | Confident | 73.6 | Confident | 112 Ų | 112 | 59.5 Ų | 59.5 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -112.5 | -28.1 | -176.6 | -64.2 | -162.8 | 151.2 | 0 | 0 | 115.1 | I92 S93 | I92-E96 PolarHBondContact O-N 3.32Å; S93-E96 PolarHBondContact O-N 3.06Å |
| 97 | R | 83.1 | Confident | 75.1 | Confident | 112 Ų | 112 | 61 Ų | 61 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | trans | -110.7 | 133.7 | -178.1 | -62.3 | -178.8 | -177.6 | 165.2 | -1.4 | 111.3 | E76 E85 S93 P116 | E76-R97 CarbonylContact O-C 3.49Å; E76-R97 WeakPolarHBondContact O-CA 3.11Å; E85-R97 IonicContact OE1-NH1 2.82Å; S93-R97 WeakPolarHBondContact O-CB 3.44Å; S93-R97 PolarHBondContact O-N 3.1Å; R97-P116 VanDerWaalsContact O-CA 3.26Å; R97-P116 WeakPolarHBondContact O-CA 3.31Å; R97-P116 WeakPolarHBondContact O-CB 3.43Å | ||
| 98 | F | 89.7 | Confident | 76.6 | Confident | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | trans | -134.7 | 72.4 | -178.1 | -59.6 | -90.9 | 0 | 0 | 0 | 111.2 | I9 L11 K27 E76 I95 F114 S115 P116 | I9-F98 HydrophobicContact CG2-CE1 4.45Å; I9-F98 HydrophobicContact CG2-CZ 4.25Å; L11-F98 HydrophobicContact CB-CB 3.7Å; L11-F98 HydrophobicContact CB-CD1 4.06Å; L11-F98 HydrophobicContact CB-CD2 3.77Å; L11-F98 HydrophobicContact CB-CE2 4.45Å; L11-F98 HydrophobicContact CB-CG 3.56Å; L11-F98 HydrophobicContact CD2-CB 4.17Å; L11-F98 HydrophobicContact CD2-CD2 4.39Å; K27-F98 HydrophobicContact CD-CE2 4.15Å; K27-F98 HydrophobicContact CD-CZ 4.41Å; K27-F98 HydrophobicContact CG-CE2 4.25Å; E76-F98 PolarHBondContact O-N 2.97Å; I95-F98 WeakPolarHBondContact O-CE2 3.45Å; F98-F114 HydrophobicContact CB-CB 3.76Å; F98-F114 WeakPolarHBondContact CD1-O 3.49Å; F98-F114 WeakPolarHBondContact O-CB 3.25Å; F98-F114 WeakPolarHBondContact O-CD1 3.14Å; F98-S115 CarbonylContact C-O 3.57Å; F98-S115 WeakPolarHBondContact CA-O 3.32Å; F98-P116 HydrophobicContact CD1-CB 4.22Å; F98-P116 HydrophobicContact CD1-CG 4.44Å; F98-P116 HydrophobicContact CE1-CB 4.31Å; F98-P116 HydrophobicContact CE1-CG 4.34Å | ||
| 99 | P | 88.9 | Confident | 78.5 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | trans | -88.7 | -8.7 | -170.8 | 34.9 | -34.8 | 0 | 0 | 0 | 114.5 | R77 Q78 I79 P101 S115 | R77-P99 WeakPolarHBondContact O-CA 3.25Å; R77-P99 WeakPolarHBondContact O-CB 3.48Å; Q78-P99 WeakPolarHBondContact O-CB 3.37Å; I79-P99 HydrophobicContact CB-CB 4.4Å; I79-P99 HydrophobicContact CG1-CB 3.8Å; P99-P101 WeakPolarHBondContact O-CD 3.45Å; P99-S115 WeakPolarHBondContact CD-O 3.39Å | ||
| 100 | Y | 93.3 | Very high | 80.5 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 18% | 0.18 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 93.4 | -171 | -56.8 | -73 | 0 | 0 | 0 | 112.7 | I79 S115 P116 E118 | I79-Y100 HydrophobicContact CG1-CE1 4.44Å; I79-Y100 HydrophobicContact CG2-CE1 4.42Å; Y100-S115 PolarHBondContact N-O 3.44Å; Y100-S115 VanDerWaalsContact N-O 3.1Å; Y100-S115 WeakPolarHBondContact O-CB 3.43Å; Y100-S115 PolarHBondContact O-N 2.95Å; Y100-P116 WeakPolarHBondContact CD2-O 3.21Å; Y100-P116 VanDerWaalsContact CE2-O 3.26Å; Y100-P116 WeakPolarHBondContact CE2-O 3.49Å; Y100-E118 HydrophobicContact CD1-CB 4.06Å; Y100-E118 HydrophobicContact CE1-CB 3.97Å; Y100-E118 HydrophobicContact CE2-CB 4.41Å; Y100-E118 HydrophobicContact CG-CB 4.34Å |
| 101 | P | 95.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 150.7 | -179 | 30.4 | -35.3 | 0 | 0 | 0 | 113.9 | V67 P69 P99 V113 F114 R121 F146 | V67-P101 HydrophobicContact CB-CB 4.14Å; V67-P101 HydrophobicContact CB-CG 4.25Å; V67-P101 PolarHBondContact N-O 2.94Å; V67-P101 WeakPolarHBondContact O-CG 3.43Å; P69-P101 HydrophobicContact CG-CG 4.43Å; P99-P101 WeakPolarHBondContact O-CD 3.45Å; P101-V113 CarbonylContact C-O 3.55Å; P101-V113 WeakPolarHBondContact CA-O 3.3Å; P101-F114 HydrophobicContact CB-CD1 3.71Å; P101-F114 HydrophobicContact CB-CE1 3.67Å; P101-F114 HydrophobicContact CB-CG 4.19Å; P101-F114 HydrophobicContact CB-CZ 4.08Å; P101-F114 HydrophobicContact CG-CD1 4.31Å; P101-F114 HydrophobicContact CG-CE1 4.15Å; P101-R121 VanDerWaalsContact O-CD 3.32Å; P101-R121 WeakPolarHBondContact O-CD 3.47Å; P101-R121 PolarHBondContact O-NH1 3.01Å; P101-F146 HydrophobicContact CB-CE1 4.31Å; P101-F146 HydrophobicContact CB-CZ 3.68Å; P101-F146 HydrophobicContact CG-CE2 4.44Å; P101-F146 HydrophobicContact CG-CZ 3.91Å |
| 102 | F | 97 | Very high | 84.4 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 164.1 | 165.6 | 69.7 | -82.4 | 0 | 0 | 0 | 110 | F10 V64 E65 V104 V113 R121 W124 I125 L128 | F10-F102 HydrophobicContact CD2-CZ 4.39Å; F10-F102 HydrophobicContact CE1-CE1 4.43Å; F10-F102 HydrophobicContact CE2-CE1 4.32Å; F10-F102 HydrophobicContact CE2-CZ 4.07Å; F10-F102 HydrophobicContact CZ-CE1 4.23Å; F10-F102 HydrophobicContact CZ-CZ 4.35Å; V64-F102 HydrophobicContact CG1-CD2 4.44Å; E65-F102 CarbonylContact O-C 3.59Å; E65-F102 WeakPolarHBondContact O-CA 3.42Å; E65-F102 WeakPolarHBondContact O-CB 3.5Å; F102-V104 HydrophobicContact CD2-CG2 4.39Å; F102-V104 HydrophobicContact CE2-CG2 4.07Å; F102-V113 HydrophobicContact CD1-CB 4.16Å; F102-V113 HydrophobicContact CD1-CG1 4.45Å; F102-V113 WeakPolarHBondContact CD1-O 3.47Å; F102-V113 HydrophobicContact CE1-CB 3.65Å; F102-V113 HydrophobicContact CE1-CG1 3.54Å; F102-V113 HydrophobicContact CE2-CB 4.02Å; F102-V113 HydrophobicContact CE2-CG1 4.41Å; F102-V113 HydrophobicContact CE2-CG2 4.42Å; F102-V113 HydrophobicContact CZ-CB 3.57Å; F102-V113 HydrophobicContact CZ-CG1 3.52Å; F102-V113 HydrophobicContact CZ-CG2 4.28Å; F102-V113 PolarHBondContact N-O 2.69Å; F102-V113 PolarHBondContact O-N 2.61Å; F102-V113 VanDerWaalsContact O-O 3.09Å; F102-R121 HydrophobicContact CB-CG 4.14Å; F102-R121 HydrophobicContact CD1-CG 4.08Å; F102-R121 HydrophobicContact CG-CG 4.41Å; F102-W124 HydrophobicContact CZ-CB 4.47Å; F102-I125 HydrophobicContact CB-CD1 3.84Å; F102-I125 HydrophobicContact CB-CG1 4.11Å; F102-I125 HydrophobicContact CD2-CG1 4.32Å; F102-I125 HydrophobicContact CG-CG1 4.33Å; F102-L128 HydrophobicContact CE2-CD1 4.29Å |
| 103 | Q | 95.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145 | -178.6 | 66.3 | -167.3 | -59 | 0 | 0 | 111.7 | V64 E65 T66 V67 V105 L111 Y112 H143 | V64-Q103 WeakPolarHBondContact CA-O 3.48Å; E65-Q103 PolarHBondContact N-O 2.8Å; E65-Q103 WeakPolarHBondContact O-CG 3.35Å; E65-Q103 PolarHBondContact O-N 2.81Å; T66-Q103 PolarHBondContact O-NE2 3.45Å; V67-Q103 HydrophobicContact CG2-CB 3.65Å; V67-Q103 HydrophobicContact CG2-CG 3.9Å; Q103-V105 HydrophobicContact CG-CG2 4.15Å; Q103-L111 CarbonylContact C-O 3.52Å; Q103-L111 WeakPolarHBondContact CA-O 3.36Å; Q103-Y112 HydrophobicContact CB-CD1 3.96Å; Q103-Y112 HydrophobicContact CB-CE1 4.03Å; Q103-H143 PolarHBondContact NE2-O 3Å; Q103-H143 PolarHBondContact OE1-O 2.98Å |
| 104 | V | 95.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 111.5 | 167.6 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | L37 I56 I61 V64 F102 L111 L128 | L37-V104 HydrophobicContact CD2-CG1 4.17Å; L37-V104 HydrophobicContact CD2-CG2 4.15Å; I56-V104 HydrophobicContact CD1-CG1 4.49Å; I61-V104 HydrophobicContact CD1-CG1 3.87Å; I61-V104 HydrophobicContact CG1-CG1 3.99Å; I61-V104 HydrophobicContact CG2-CG1 3.89Å; V64-V104 HydrophobicContact CG1-CG2 4.46Å; V64-V104 HydrophobicContact CG2-CB 4.47Å; V64-V104 HydrophobicContact CG2-CG1 4.18Å; V64-V104 HydrophobicContact CG2-CG2 4.25Å; F102-V104 HydrophobicContact CD2-CG2 4.39Å; F102-V104 HydrophobicContact CE2-CG2 4.07Å; V104-L111 HydrophobicContact CB-CB 4.37Å; V104-L111 PolarHBondContact N-O 3.39Å; V104-L111 PolarHBondContact O-N 3.08Å; V104-L128 HydrophobicContact CG2-CD1 4.17Å |
| 105 | V | 93.6 | Very high | 89.7 | Confident | 29 Ų | 29 | 30 Ų | 30 | 18% | 0.176 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.9 | -176.1 | -171 | 0 | 0 | 0 | 0 | 109.4 | I61 T62 C63 Q103 P110 | I61-V105 WeakPolarHBondContact CA-O 3.48Å; T62-V105 PolarHBondContact N-O 2.81Å; T62-V105 PolarHBondContact OG1-O 2.94Å; C63-V105 HydrophobicContact CB-CB 4.08Å; C63-V105 HydrophobicContact CB-CG2 4.15Å; C63-V105 PolarHBondContact O-N 2.84Å; Q103-V105 HydrophobicContact CG-CG2 4.15Å; V105-P110 HydrophobicContact CG2-CB 4.44Å |
| 106 | Y | 92.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 27 Ų | 27 | 8% | 0.075 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | -175.3 | 179.4 | 73.8 | -72.2 | 0 | 0 | 0 | 110 | Q15 I56 K60 E108 G109 L111 | Q15-Y106 VanDerWaalsContact NE2-CE1 3.32Å; Q15-Y106 PolarHBondContact NE2-OH 3.06Å; I56-Y106 HydrophobicContact CD1-CD1 3.78Å; I56-Y106 HydrophobicContact CD1-CE1 3.54Å; I56-Y106 HydrophobicContact CD1-CG 4.36Å; I56-Y106 HydrophobicContact CG1-CD1 4.36Å; I56-Y106 HydrophobicContact CG1-CD2 4.4Å; I56-Y106 HydrophobicContact CG1-CE1 4.06Å; I56-Y106 HydrophobicContact CG1-CE2 4.16Å; I56-Y106 HydrophobicContact CG2-CD1 4.33Å; I56-Y106 HydrophobicContact CG2-CD2 3.87Å; I56-Y106 HydrophobicContact CG2-CE2 4.42Å; I56-Y106 HydrophobicContact CG2-CG 3.86Å; K60-Y106 WeakPolarHBondContact O-CA 3.43Å; K60-Y106 VanDerWaalsContact O-CB 3.31Å; K60-Y106 WeakPolarHBondContact O-CB 3.39Å; Y106-E108 VanDerWaalsContact C-N 3.34Å; Y106-E108 HydrophobicContact CD2-CB 4.47Å; Y106-E108 HydrophobicContact CE2-CB 3.62Å; Y106-E108 HydrophobicContact CE2-CG 3.72Å; Y106-E108 PolarHBondContact O-N 3.39Å; Y106-E108 PolarHBondContact OH-OE2 3.46Å; Y106-G109 WeakPolarHBondContact CD1-O 3.38Å; Y106-G109 VanDerWaalsContact CE1-O 3.22Å; Y106-G109 WeakPolarHBondContact CE1-O 3.2Å; Y106-G109 PolarHBondContact O-N 3.35Å; Y106-L111 HydrophobicContact CE1-CB 4.26Å |
| 107 | D | 84.3 | Confident | 91.3 | Very high | 96 Ų | 96 | 23.6 Ų | 23.6 | 51% | 0.513 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -40.3 | -173.6 | 60.5 | 3.6 | 0 | 0 | 0 | 115.3 | K60 G109 | K60-D107 WeakPolarHBondContact CD-OD2 3.49Å; K60-D107 IonicContact NZ-OD2 2.87Å; K60-D107 PolarHBondContact NZ-OD2 3.3Å; D107-G109 VanDerWaalsContact C-N 3.26Å; D107-G109 PolarHBondContact O-N 3.38Å |
| 108 | E | 84.3 | Confident | 91.5 | Very high | 102 Ų | 102 | 21.3 Ų | 21.3 | 48% | 0.477 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 5.8 | 178 | -55.3 | -170 | 136.3 | 0 | 0 | 114.5 | K17 Y106 | K17-E108 VanDerWaalsContact NZ-CD 3.31Å; K17-E108 IonicContact NZ-OE1 3.94Å; K17-E108 PolarHBondContact NZ-OE1 3.06Å; K17-E108 IonicContact NZ-OE2 2.64Å; K17-E108 PolarHBondContact NZ-OE2 3.17Å; Y106-E108 VanDerWaalsContact C-N 3.34Å; Y106-E108 HydrophobicContact CD2-CB 4.47Å; Y106-E108 HydrophobicContact CE2-CB 3.62Å; Y106-E108 HydrophobicContact CE2-CG 3.72Å; Y106-E108 PolarHBondContact O-N 3.39Å; Y106-E108 PolarHBondContact OH-OE2 3.46Å |
| 109 | G | 86.9 | Confident | 91.4 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 7% | 0.072 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 97.6 | -175.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y106 D107 L111 | Y106-G109 WeakPolarHBondContact CD1-O 3.38Å; Y106-G109 VanDerWaalsContact CE1-O 3.22Å; Y106-G109 WeakPolarHBondContact CE1-O 3.2Å; Y106-G109 PolarHBondContact O-N 3.35Å; D107-G109 VanDerWaalsContact C-N 3.26Å; D107-G109 PolarHBondContact O-N 3.38Å; G109-L111 PolarHBondContact O-N 3.43Å |
| 110 | P | 91.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 129.1 | -172.1 | 27.7 | -34.4 | 0 | 0 | 0 | 112.3 | V105 Y112 Y152 | V105-P110 HydrophobicContact CG2-CB 4.44Å; P110-Y112 HydrophobicContact CB-CE1 4.15Å; P110-Y112 HydrophobicContact CB-CE2 4.18Å; P110-Y112 HydrophobicContact CG-CE2 3.95Å; P110-Y112 WeakPolarHBondContact CG-OH 3.41Å; P110-Y152 HydrophobicContact CG-CE1 4.46Å |
| 111 | L | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 115.3 | 163.3 | 175.1 | 65.7 | 0 | 0 | 0 | 109.2 | K12 Q15 F30 Y39 I56 Q103 V104 Y106 G109 V113 | K12-L111 HydrophobicContact CD-CD1 4.21Å; K12-L111 VanDerWaalsContact CE-CD1 3.45Å; K12-L111 HydrophobicContact CG-CD1 3.93Å; Q15-L111 HydrophobicContact CG-CD1 3.95Å; F30-L111 HydrophobicContact CE1-CD2 4.13Å; Y39-L111 HydrophobicContact CE1-CD2 4.46Å; I56-L111 HydrophobicContact CD1-CB 4.24Å; I56-L111 HydrophobicContact CD1-CD2 3.58Å; Q103-L111 CarbonylContact C-O 3.52Å; Q103-L111 WeakPolarHBondContact CA-O 3.36Å; V104-L111 HydrophobicContact CB-CB 4.37Å; V104-L111 PolarHBondContact N-O 3.39Å; V104-L111 PolarHBondContact O-N 3.08Å; Y106-L111 HydrophobicContact CE1-CB 4.26Å; G109-L111 PolarHBondContact O-N 3.43Å; L111-V113 HydrophobicContact CD2-CG2 4.12Å; L111-V113 HydrophobicContact CG-CG2 3.94Å |
| 112 | Y | 95.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.3 | 174.6 | -57.6 | -69.8 | 0 | 0 | 0 | 111.7 | R13 V67 Q103 P110 F146 W147 | R13-Y112 PolarHBondContact N-O 3.46Å; R13-Y112 VanDerWaalsContact N-O 3.08Å; V67-Y112 HydrophobicContact CG1-CE1 4.47Å; V67-Y112 HydrophobicContact CG2-CD1 3.99Å; V67-Y112 HydrophobicContact CG2-CE1 4.07Å; Q103-Y112 HydrophobicContact CB-CD1 3.96Å; Q103-Y112 HydrophobicContact CB-CE1 4.03Å; P110-Y112 HydrophobicContact CB-CE1 4.15Å; P110-Y112 HydrophobicContact CB-CE2 4.18Å; P110-Y112 HydrophobicContact CG-CE2 3.95Å; P110-Y112 WeakPolarHBondContact CG-OH 3.41Å; Y112-F146 AromaticContact CD1-CD1 3.52Å; Y112-F146 HydrophobicContact CD1-CD1 3.52Å; Y112-F146 AromaticContact CD1-CE1 3.59Å; Y112-F146 HydrophobicContact CD1-CE1 3.59Å; Y112-F146 HydrophobicContact CD2-CD1 4.06Å; Y112-F146 HydrophobicContact CD2-CE1 4.48Å; Y112-F146 AromaticContact CE1-CD1 3.62Å; Y112-F146 HydrophobicContact CE1-CD1 3.62Å; Y112-F146 HydrophobicContact CE1-CE1 4.14Å; Y112-F146 HydrophobicContact CE2-CD1 4.17Å; Y112-F146 AromaticContact CG-CD1 3.74Å; Y112-F146 HydrophobicContact CG-CD1 3.74Å; Y112-F146 AromaticContact CG-CE1 3.78Å; Y112-F146 HydrophobicContact CG-CE1 3.78Å; Y112-F146 AromaticContact CZ-CD1 3.96Å; Y112-W147 HydrophobicContact CE2-CB 4.22Å; Y112-W147 WeakPolarHBondContact OH-CB 3.35Å; Y112-W147 PolarHBondContact OH-N 3.17Å |
| 113 | V | 95.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 139.5 | -177.5 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | F10 F30 P101 F102 L111 | F10-V113 HydrophobicContact CB-CG1 3.33Å; F10-V113 HydrophobicContact CD1-CG1 4.33Å; F10-V113 HydrophobicContact CD2-CG1 3.56Å; F10-V113 HydrophobicContact CE2-CG1 4.41Å; F10-V113 HydrophobicContact CG-CG1 3.51Å; F30-V113 HydrophobicContact CE1-CG2 4.1Å; F30-V113 HydrophobicContact CE2-CG1 4.16Å; F30-V113 HydrophobicContact CZ-CG1 4.16Å; F30-V113 HydrophobicContact CZ-CG2 3.92Å; P101-V113 CarbonylContact C-O 3.55Å; P101-V113 WeakPolarHBondContact CA-O 3.3Å; F102-V113 HydrophobicContact CD1-CB 4.16Å; F102-V113 HydrophobicContact CD1-CG1 4.45Å; F102-V113 WeakPolarHBondContact CD1-O 3.47Å; F102-V113 HydrophobicContact CE1-CB 3.65Å; F102-V113 HydrophobicContact CE1-CG1 3.54Å; F102-V113 HydrophobicContact CE2-CB 4.02Å; F102-V113 HydrophobicContact CE2-CG1 4.41Å; F102-V113 HydrophobicContact CE2-CG2 4.42Å; F102-V113 HydrophobicContact CZ-CB 3.57Å; F102-V113 HydrophobicContact CZ-CG1 3.52Å; F102-V113 HydrophobicContact CZ-CG2 4.28Å; F102-V113 PolarHBondContact N-O 2.69Å; F102-V113 PolarHBondContact O-N 2.61Å; F102-V113 VanDerWaalsContact O-O 3.09Å; L111-V113 HydrophobicContact CD2-CG2 4.12Å; L111-V113 HydrophobicContact CG-CG2 3.94Å |
| 114 | F | 94.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.8 | -178.3 | -63.9 | -112.7 | 0 | 0 | 0 | 110 | F10 L11 R13 F25 R77 F98 P101 F146 | F10-F114 WeakPolarHBondContact CB-O 3.42Å; F10-F114 WeakPolarHBondContact CD1-O 3.44Å; L11-F114 HydrophobicContact CB-CB 4.15Å; L11-F114 PolarHBondContact N-O 3.47Å; L11-F114 PolarHBondContact O-N 2.76Å; R13-F114 HydrophobicContact CB-CE2 4.23Å; F25-F114 HydrophobicContact CD1-CE2 4.21Å; F25-F114 HydrophobicContact CE1-CD2 4.42Å; F25-F114 AromaticContact CE1-CE2 3.67Å; F25-F114 HydrophobicContact CE1-CE2 3.67Å; F25-F114 AromaticContact CE1-CZ 3.86Å; F25-F114 HydrophobicContact CE1-CZ 3.86Å; R77-F114 HydrophobicContact CG-CD1 4.47Å; F98-F114 HydrophobicContact CB-CB 3.76Å; F98-F114 WeakPolarHBondContact CD1-O 3.49Å; F98-F114 WeakPolarHBondContact O-CB 3.25Å; F98-F114 WeakPolarHBondContact O-CD1 3.14Å; P101-F114 HydrophobicContact CB-CD1 3.71Å; P101-F114 HydrophobicContact CB-CE1 3.67Å; P101-F114 HydrophobicContact CB-CG 4.19Å; P101-F114 HydrophobicContact CB-CZ 4.08Å; P101-F114 HydrophobicContact CG-CD1 4.31Å; P101-F114 HydrophobicContact CG-CE1 4.15Å; F114-F146 AromaticContact CE1-CZ 3.91Å; F114-F146 HydrophobicContact CE1-CZ 3.91Å; F114-F146 HydrophobicContact CE2-CE1 4.31Å; F114-F146 HydrophobicContact CE2-CZ 4.38Å; F114-F146 AromaticContact CZ-CE1 3.8Å; F114-F146 HydrophobicContact CZ-CE1 3.8Å; F114-F146 AromaticContact CZ-CZ 3.48Å; F114-F146 HydrophobicContact CZ-CZ 3.48Å; F114-F146 VanDerWaalsContact CZ-CZ 3.48Å |
| 115 | S | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 144.5 | -179.9 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | F98 P99 Y100 T117 R121 | F98-S115 CarbonylContact C-O 3.57Å; F98-S115 WeakPolarHBondContact CA-O 3.32Å; P99-S115 WeakPolarHBondContact CD-O 3.39Å; Y100-S115 PolarHBondContact N-O 3.44Å; Y100-S115 VanDerWaalsContact N-O 3.1Å; Y100-S115 WeakPolarHBondContact O-CB 3.43Å; Y100-S115 PolarHBondContact O-N 2.95Å; S115-T117 WeakPolarHBondContact CB-O 3.44Å; S115-T117 PolarHBondContact OG-N 3.44Å; S115-T117 PolarHBondContact OG-O 2.95Å; S115-R121 PolarHBondContact OG-N 2.95Å |
| 116 | P | 86.6 | Confident | 90.4 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -68.8 | -35.7 | 174 | 28.2 | -34.8 | 0 | 0 | 0 | 113 | I94 R97 F98 Y100 L120 | I94-P116 HydrophobicContact CG2-CB 4.35Å; I94-P116 HydrophobicContact CG2-CG 4.31Å; I94-P116 WeakPolarHBondContact O-CB 3.44Å; R97-P116 VanDerWaalsContact O-CA 3.26Å; R97-P116 WeakPolarHBondContact O-CA 3.31Å; R97-P116 WeakPolarHBondContact O-CB 3.43Å; F98-P116 HydrophobicContact CD1-CB 4.22Å; F98-P116 HydrophobicContact CD1-CG 4.44Å; F98-P116 HydrophobicContact CE1-CB 4.31Å; F98-P116 HydrophobicContact CE1-CG 4.34Å; Y100-P116 WeakPolarHBondContact CD2-O 3.21Å; Y100-P116 VanDerWaalsContact CE2-O 3.26Å; Y100-P116 WeakPolarHBondContact CE2-O 3.49Å; P116-L120 HydrophobicContact CG-CD2 3.93Å |
| 117 | T | 85.9 | Confident | 90.2 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 24% | 0.239 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -123.8 | 156.4 | 179.3 | 69.3 | 0 | 0 | 0 | 0 | 112 | I94 S115 L120 R121 | I94-T117 HydrophobicContact CG1-CG2 4.22Å; S115-T117 WeakPolarHBondContact CB-O 3.44Å; S115-T117 PolarHBondContact OG-N 3.44Å; S115-T117 PolarHBondContact OG-O 2.95Å; T117-L120 WeakPolarHBondContact OG1-CB 3.48Å; T117-L120 PolarHBondContact OG1-N 3.35Å; T117-R121 PolarHBondContact O-N 3.43Å |
| 118 | E | 87.2 | Confident | 90.6 | Very high | 65 Ų | 65 | 38.8 Ų | 38.8 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -71.5 | -35.4 | 177.3 | 179 | 167.2 | -128.8 | 0 | 0 | 111.1 | Y100 R121 K122 | Y100-E118 HydrophobicContact CD1-CB 4.06Å; Y100-E118 HydrophobicContact CE1-CB 3.97Å; Y100-E118 HydrophobicContact CE2-CB 4.41Å; Y100-E118 HydrophobicContact CG-CB 4.34Å; E118-R121 WeakPolarHBondContact O-CB 3.35Å; E118-R121 PolarHBondContact O-N 3.26Å; E118-R121 IonicContact OE1-CZ 2.68Å; E118-R121 IonicContact OE1-NH2 2.74Å; E118-R121 PolarHBondContact OE1-NH2 3.14Å; E118-K122 HydrophobicContact CG-CD 4.05Å; E118-K122 HydrophobicContact CG-CG 4.33Å; E118-K122 WeakPolarHBondContact O-CG 3.39Å; E118-K122 PolarHBondContact O-N 3.36Å; E118-K122 IonicContact OE1-NZ 3.06Å; E118-K122 IonicContact OE2-NZ 3.24Å; E118-K122 PolarHBondContact OE2-NZ 3.33Å |
| 119 | E | 87.8 | Confident | 91 | Very high | 126 Ų | 126 | 37.6 Ų | 37.6 | 59% | 0.589 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -61.6 | -45.9 | 178.6 | -66.4 | 62.4 | -134.8 | 0 | 0 | 110.2 | K122 R123 | E119-K122 PolarHBondContact O-N 2.86Å; E119-R123 WeakPolarHBondContact O-CB 3.45Å; E119-R123 PolarHBondContact O-N 2.81Å |
| 120 | L | 87.3 | Confident | 91 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.5 | -40.5 | 177.7 | -173.1 | 62.4 | 0 | 0 | 0 | 111.2 | F10 P116 T117 R123 W124 | F10-L120 HydrophobicContact CE1-CD2 3.75Å; F10-L120 HydrophobicContact CE1-CG 4.05Å; F10-L120 HydrophobicContact CZ-CD2 4.19Å; F10-L120 HydrophobicContact CZ-CG 4.16Å; P116-L120 HydrophobicContact CG-CD2 3.93Å; T117-L120 WeakPolarHBondContact OG1-CB 3.48Å; T117-L120 PolarHBondContact OG1-N 3.35Å; L120-R123 PolarHBondContact O-N 2.93Å; L120-W124 VanDerWaalsContact O-CD1 3.27Å; L120-W124 PolarHBondContact O-N 3.44Å |
| 121 | R | 93.9 | Very high | 90.9 | Very high | 23 Ų | 23 | 41.4 Ų | 41.4 | 9% | 0.087 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -51.3 | 173.4 | 179.1 | 178.8 | 64.5 | 173.5 | -0.6 | 111.5 | P101 F102 S115 T117 E118 R123 W124 I125 | P101-R121 VanDerWaalsContact O-CD 3.32Å; P101-R121 WeakPolarHBondContact O-CD 3.47Å; P101-R121 PolarHBondContact O-NH1 3.01Å; F102-R121 HydrophobicContact CB-CG 4.14Å; F102-R121 HydrophobicContact CD1-CG 4.08Å; F102-R121 HydrophobicContact CG-CG 4.41Å; S115-R121 PolarHBondContact OG-N 2.95Å; T117-R121 PolarHBondContact O-N 3.43Å; E118-R121 WeakPolarHBondContact O-CB 3.35Å; E118-R121 PolarHBondContact O-N 3.26Å; E118-R121 IonicContact OE1-CZ 2.68Å; E118-R121 IonicContact OE1-NH2 2.74Å; E118-R121 PolarHBondContact OE1-NH2 3.14Å; R121-R123 VanDerWaalsContact C-N 3.28Å; R121-R123 PolarHBondContact O-N 2.85Å; R121-W124 PolarHBondContact O-N 2.92Å; R121-I125 HydrophobicContact CG-CD1 3.79Å; R121-I125 HydrophobicContact CG-CG1 4.45Å; R121-I125 WeakPolarHBondContact O-CG1 3.48Å; R121-I125 PolarHBondContact O-N 3.28Å |
| 122 | K | 89.6 | Confident | 90.7 | Very high | 114 Ų | 114 | 41.7 Ų | 41.7 | 50% | 0.496 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.2 | -44.4 | -180 | -76.9 | 170.5 | -179.1 | 156.8 | 0 | 110.8 | E118 E119 H126 | E118-K122 HydrophobicContact CG-CD 4.05Å; E118-K122 HydrophobicContact CG-CG 4.33Å; E118-K122 WeakPolarHBondContact O-CG 3.39Å; E118-K122 PolarHBondContact O-N 3.36Å; E118-K122 IonicContact OE1-NZ 3.06Å; E118-K122 IonicContact OE2-NZ 3.24Å; E118-K122 PolarHBondContact OE2-NZ 3.33Å; E119-K122 PolarHBondContact O-N 2.86Å; K122-H126 WeakPolarHBondContact O-CB 3.35Å; K122-H126 PolarHBondContact O-N 2.84Å |
| 123 | R | 89.8 | Confident | 90.3 | Very high | 91 Ų | 91 | 48.3 Ų | 48.3 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 177.4 | -176.8 | 179 | -179.7 | 168 | 3.3 | 112.7 | E119 L120 R121 H126 Q127 Y369 | E119-R123 WeakPolarHBondContact O-CB 3.45Å; E119-R123 PolarHBondContact O-N 2.81Å; L120-R123 PolarHBondContact O-N 2.93Å; R121-R123 VanDerWaalsContact C-N 3.28Å; R121-R123 PolarHBondContact O-N 2.85Å; R123-H126 PolarHBondContact O-N 2.85Å; R123-Q127 WeakPolarHBondContact O-CB 3.16Å; R123-Q127 PolarHBondContact O-N 3.43Å; R123-Y369 VanDerWaalsContact NH1-CE2 3.32Å; R123-Y369 VanDerWaalsContact NH1-CZ 3.26Å |
| 124 | W | 93.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | -179.9 | -89.6 | 77.1 | 0 | 0 | 0 | 112.5 | L6 S8 F10 F30 L32 L37 F102 L120 R121 Q127 L128 | L6-W124 HydrophobicContact CB-CD2 4.26Å; L6-W124 HydrophobicContact CB-CH2 3.94Å; L6-W124 HydrophobicContact CB-CZ2 3.56Å; L6-W124 HydrophobicContact CB-CZ3 4.43Å; L6-W124 HydrophobicContact CD1-CB 4.44Å; L6-W124 HydrophobicContact CD1-CD2 3.76Å; L6-W124 HydrophobicContact CD1-CE3 4.25Å; L6-W124 HydrophobicContact CD1-CG 3.84Å; S8-W124 PolarHBondContact OG-NE1 2.79Å; F10-W124 AromaticContact CE2-CD2 3.53Å; F10-W124 HydrophobicContact CE2-CD2 3.53Å; F10-W124 AromaticContact CE2-CE2 3.41Å; F10-W124 VanDerWaalsContact CE2-CE2 3.41Å; F10-W124 AromaticContact CE2-CE3 3.92Å; F10-W124 HydrophobicContact CE2-CE3 3.92Å; F10-W124 AromaticContact CE2-CG 4Å; F10-W124 HydrophobicContact CE2-CG 4Å; F10-W124 HydrophobicContact CE2-CH2 4.09Å; F10-W124 AromaticContact CE2-CZ2 3.71Å; F10-W124 HydrophobicContact CE2-CZ2 3.71Å; F10-W124 HydrophobicContact CE2-CZ3 4.18Å; F10-W124 AromaticContact CE2-NE1 3.78Å; F10-W124 AromaticContact CZ-CD1 3.56Å; F10-W124 AromaticContact CZ-CD2 3.77Å; F10-W124 HydrophobicContact CZ-CD2 3.77Å; F10-W124 AromaticContact CZ-CE2 3.62Å; F10-W124 AromaticContact CZ-CG 3.73Å; F10-W124 HydrophobicContact CZ-CG 3.73Å; F10-W124 HydrophobicContact CZ-CZ2 4.29Å; F10-W124 AromaticContact CZ-NE1 3.46Å; F30-W124 HydrophobicContact CB-CH2 3.68Å; F30-W124 HydrophobicContact CB-CZ2 4.4Å; F30-W124 HydrophobicContact CB-CZ3 4.2Å; L32-W124 HydrophobicContact CB-CH2 4.23Å; L32-W124 HydrophobicContact CB-CZ3 4.02Å; L37-W124 HydrophobicContact CD1-CZ3 3.81Å; F102-W124 HydrophobicContact CZ-CB 4.47Å; L120-W124 VanDerWaalsContact O-CD1 3.27Å; L120-W124 PolarHBondContact O-N 3.44Å; R121-W124 PolarHBondContact O-N 2.92Å; W124-Q127 PolarHBondContact O-N 2.92Å; W124-L128 HydrophobicContact CE3-CD1 4.22Å; W124-L128 VanDerWaalsContact O-CB 3.29Å; W124-L128 WeakPolarHBondContact O-CB 3.4Å; W124-L128 WeakPolarHBondContact O-CG 3.47Å; W124-L128 PolarHBondContact O-N 3.32Å |
| 125 | I | 93 | Very high | 89.1 | Confident | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 175.8 | -66.2 | 171.8 | 0 | 0 | 0 | 110.3 | V64 T66 F102 R121 Q127 L128 K129 | V64-I125 HydrophobicContact CG1-CB 4.43Å; V64-I125 HydrophobicContact CG1-CG1 4.16Å; V64-I125 HydrophobicContact CG1-CG2 4.36Å; T66-I125 HydrophobicContact CG2-CD1 3.48Å; T66-I125 VanDerWaalsContact CG2-CD1 3.48Å; F102-I125 HydrophobicContact CB-CD1 3.84Å; F102-I125 HydrophobicContact CB-CG1 4.11Å; F102-I125 HydrophobicContact CD2-CG1 4.32Å; F102-I125 HydrophobicContact CG-CG1 4.33Å; R121-I125 HydrophobicContact CG-CD1 3.79Å; R121-I125 HydrophobicContact CG-CG1 4.45Å; R121-I125 WeakPolarHBondContact O-CG1 3.48Å; R121-I125 PolarHBondContact O-N 3.28Å; I125-Q127 PolarHBondContact O-N 2.78Å; I125-L128 PolarHBondContact O-N 3.22Å; I125-K129 HydrophobicContact CG2-CD 4.08Å; I125-K129 HydrophobicContact CG2-CG 4.38Å; I125-K129 WeakPolarHBondContact O-CB 3.45Å; I125-K129 WeakPolarHBondContact O-CG 3.44Å; I125-K129 PolarHBondContact O-N 2.85Å |
| 126 | H | 90.9 | Very high | 88.5 | Confident | 113 Ų | 113 | 63.2 Ų | 63.2 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 178.9 | -178.9 | 76.7 | 0 | 0 | 0 | 111.7 | K122 R123 K129 N130 | K122-H126 WeakPolarHBondContact O-CB 3.35Å; K122-H126 PolarHBondContact O-N 2.84Å; R123-H126 PolarHBondContact O-N 2.85Å; H126-K129 PolarHBondContact O-N 2.83Å; H126-N130 PolarHBondContact CD2-ND2 3.04Å; H126-N130 PolarHBondContact NE2-ND2 2.76Å; H126-N130 VanDerWaalsContact O-CG 3.29Å; H126-N130 PolarHBondContact O-N 3.07Å |
| 127 | Q | 89.1 | Confident | 88.5 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | -178.7 | -167.3 | 62.4 | 21.5 | 0 | 0 | 112.1 | I5 L6 L32 R123 W124 I125 K129 N130 V131 | I5-Q127 HydrophobicContact CG2-CG 3.57Å; I5-Q127 VanDerWaalsContact CG2-NE2 3.28Å; L6-Q127 HydrophobicContact CD1-CB 3.55Å; L6-Q127 HydrophobicContact CD1-CG 3.84Å; L6-Q127 HydrophobicContact CG-CB 4.38Å; L6-Q127 HydrophobicContact CG-CG 4.16Å; L32-Q127 HydrophobicContact CD2-CG 4.12Å; R123-Q127 WeakPolarHBondContact O-CB 3.16Å; R123-Q127 PolarHBondContact O-N 3.43Å; W124-Q127 PolarHBondContact O-N 2.92Å; I125-Q127 PolarHBondContact O-N 2.78Å; Q127-K129 PolarHBondContact O-N 3.26Å; Q127-N130 PolarHBondContact O-N 3.33Å; Q127-V131 VanDerWaalsContact O-CG2 3.29Å; Q127-V131 WeakPolarHBondContact O-CG2 3.08Å; Q127-V131 PolarHBondContact O-N 2.81Å |
| 128 | L | 92.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.7 | -79.3 | 164.8 | 0 | 0 | 0 | 111.1 | L32 I61 V64 F102 V104 W124 I125 N130 V131 I132 | L32-L128 HydrophobicContact CD1-CD2 3.6Å; L32-L128 HydrophobicContact CD2-CD2 3.79Å; L32-L128 HydrophobicContact CD2-CG 4.02Å; L32-L128 HydrophobicContact CG-CD2 4.33Å; I61-L128 HydrophobicContact CD1-CD2 4.43Å; V64-L128 HydrophobicContact CB-CB 4.17Å; V64-L128 HydrophobicContact CG1-CB 3.97Å; V64-L128 HydrophobicContact CG1-CD1 3.77Å; V64-L128 HydrophobicContact CG2-CB 3.92Å; V64-L128 HydrophobicContact CG2-CD1 4.24Å; F102-L128 HydrophobicContact CE2-CD1 4.29Å; V104-L128 HydrophobicContact CG2-CD1 4.17Å; W124-L128 HydrophobicContact CE3-CD1 4.22Å; W124-L128 VanDerWaalsContact O-CB 3.29Å; W124-L128 WeakPolarHBondContact O-CB 3.4Å; W124-L128 WeakPolarHBondContact O-CG 3.47Å; W124-L128 PolarHBondContact O-N 3.32Å; I125-L128 PolarHBondContact O-N 3.22Å; L128-N130 VanDerWaalsContact C-N 3.31Å; L128-N130 PolarHBondContact O-N 3.45Å; L128-V131 PolarHBondContact O-N 2.78Å; L128-I132 WeakPolarHBondContact O-CG1 3.42Å; L128-I132 WeakPolarHBondContact O-CG2 3.37Å; L128-I132 PolarHBondContact O-N 3.44Å |
| 129 | K | 91.1 | Very high | 88.6 | Confident | 77 Ų | 77 | 69.1 Ų | 69.1 | 34% | 0.335 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.4 | -42 | 174.1 | -76.9 | -175.6 | 177 | -173.5 | 0 | 112.3 | V64 E65 I125 H126 Q127 R133 | V64-K129 WeakPolarHBondContact O-CE 3.25Å; E65-K129 WeakPolarHBondContact OE2-CE 3.5Å; E65-K129 IonicContact OE2-NZ 2.69Å; E65-K129 PolarHBondContact OE2-NZ 3.22Å; I125-K129 HydrophobicContact CG2-CD 4.08Å; I125-K129 HydrophobicContact CG2-CG 4.38Å; I125-K129 WeakPolarHBondContact O-CB 3.45Å; I125-K129 WeakPolarHBondContact O-CG 3.44Å; I125-K129 PolarHBondContact O-N 2.85Å; H126-K129 PolarHBondContact O-N 2.83Å; Q127-K129 PolarHBondContact O-N 3.26Å; K129-R133 PolarHBondContact O-N 3.24Å |
| 130 | N | 88.4 | Confident | 88.5 | Confident | 64 Ų | 64 | 70.9 Ų | 70.9 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 177.1 | -73.2 | -13.5 | 0 | 0 | 0 | 112.6 | H126 Q127 L128 R133 | H126-N130 PolarHBondContact CD2-ND2 3.04Å; H126-N130 PolarHBondContact NE2-ND2 2.76Å; H126-N130 VanDerWaalsContact O-CG 3.29Å; H126-N130 PolarHBondContact O-N 3.07Å; Q127-N130 PolarHBondContact O-N 3.33Å; L128-N130 VanDerWaalsContact C-N 3.31Å; L128-N130 PolarHBondContact O-N 3.45Å; N130-R133 VanDerWaalsContact O-CD 3.29Å; N130-R133 WeakPolarHBondContact O-CD 3.42Å; N130-R133 VanDerWaalsContact O-CG 3.23Å; N130-R133 WeakPolarHBondContact O-CG 3.39Å |
| 131 | V | 89 | Confident | 88.6 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.7 | -39.3 | -178.7 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | I5 V58 Q127 L128 R133 | I5-V131 HydrophobicContact CD1-CG2 3.83Å; V58-V131 HydrophobicContact CG1-CB 4.49Å; V58-V131 HydrophobicContact CG1-CG1 3.47Å; V58-V131 VanDerWaalsContact CG1-CG1 3.47Å; Q127-V131 VanDerWaalsContact O-CG2 3.29Å; Q127-V131 WeakPolarHBondContact O-CG2 3.08Å; Q127-V131 PolarHBondContact O-N 2.81Å; L128-V131 PolarHBondContact O-N 2.78Å; V131-R133 VanDerWaalsContact C-N 3.27Å; V131-R133 PolarHBondContact O-N 2.8Å |
| 132 | I | 90.2 | Very high | 88.5 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -81.2 | -2.6 | -178.4 | 71.4 | -179.7 | 0 | 0 | 0 | 113.7 | V58 I61 V64 L128 Y134 N135 L138 | V58-I132 HydrophobicContact CG1-CG2 4.09Å; I61-I132 HydrophobicContact CB-CG2 3.8Å; I61-I132 HydrophobicContact CD1-CG2 4.36Å; I61-I132 HydrophobicContact CG2-CD1 4.06Å; I61-I132 HydrophobicContact CG2-CG2 3.88Å; V64-I132 HydrophobicContact CG2-CD1 4.24Å; L128-I132 WeakPolarHBondContact O-CG1 3.42Å; L128-I132 WeakPolarHBondContact O-CG2 3.37Å; L128-I132 PolarHBondContact O-N 3.44Å; I132-Y134 PolarHBondContact O-N 2.96Å; I132-N135 WeakPolarHBondContact CB-ND2 3.41Å; I132-N135 WeakPolarHBondContact O-CB 3.29Å; I132-N135 PolarHBondContact O-N 3.32Å; I132-L138 HydrophobicContact CB-CD2 4.21Å; I132-L138 HydrophobicContact CD1-CD2 3.87Å; I132-L138 HydrophobicContact CG1-CD2 3.9Å; I132-L138 WeakPolarHBondContact O-CD1 3.45Å |
| 133 | R | 86.7 | Confident | 88.7 | Confident | 147 Ų | 147 | 68.9 Ų | 68.9 | 56% | 0.555 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.1 | -172 | 77.1 | -175.3 | -175 | -177.5 | 1.6 | 115 | K129 N130 V131 | K129-R133 PolarHBondContact O-N 3.24Å; N130-R133 VanDerWaalsContact O-CD 3.29Å; N130-R133 WeakPolarHBondContact O-CD 3.42Å; N130-R133 VanDerWaalsContact O-CG 3.23Å; N130-R133 WeakPolarHBondContact O-CG 3.39Å; V131-R133 VanDerWaalsContact C-N 3.27Å; V131-R133 PolarHBondContact O-N 2.8Å |
| 134 | Y | 78.8 | Confident | 88.8 | Confident | 181 Ų | 181 | 65.3 Ų | 65.3 | 71% | 0.71 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 6.7 | -179.9 | -61.9 | -61 | 0 | 0 | 0 | 113.7 | I132 | I132-Y134 PolarHBondContact O-N 2.96Š|
| 135 | N | 88.1 | Confident | 88.7 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | trans | -69.8 | 142.7 | 175.2 | -67.2 | 2 | 0 | 0 | 0 | 109.9 | V58 E59 I61 I132 L138 | V58-N135 PolarHBondContact O-ND2 2.98Å; E59-N135 PolarHBondContact O-ND2 3.46Å; I61-N135 PolarHBondContact O-ND2 2.9Å; I132-N135 WeakPolarHBondContact CB-ND2 3.41Å; I132-N135 WeakPolarHBondContact O-CB 3.29Å; I132-N135 PolarHBondContact O-N 3.32Å; N135-L138 HydrophobicContact CB-CD2 4.13Å; N135-L138 HydrophobicContact CB-CG 4.18Å | ||
| 136 | S | 80.1 | Confident | 88.6 | Confident | 108 Ų | 108 | 66 Ų | 66 | 76% | 0.755 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -30.5 | -179.3 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 137 | D | 85.4 | Confident | 88.5 | Confident | 110 Ų | 110 | 61.7 Ų | 61.7 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 32.8 | -167.7 | -58.6 | -41.3 | 0 | 0 | 0 | 113.6 | T62 V139 | T62-D137 VanDerWaalsContact CB-O 3.26Å; T62-D137 WeakPolarHBondContact CB-O 3.35Å; T62-D137 HydrophobicContact CG2-CB 4.18Å; T62-D137 WeakPolarHBondContact CG2-O 3.46Å; D137-V139 PolarHBondContact O-N 3.3Å |
| 138 | L | 88.1 | Confident | 88.4 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 38% | 0.382 | 30% | 0.298 | S | S | . | . | trans | -66.7 | 124.4 | 178 | -67.5 | 178.2 | 0 | 0 | 0 | 111.3 | I132 N135 | I132-L138 HydrophobicContact CB-CD2 4.21Å; I132-L138 HydrophobicContact CD1-CD2 3.87Å; I132-L138 HydrophobicContact CG1-CD2 3.9Å; I132-L138 WeakPolarHBondContact O-CD1 3.45Å; N135-L138 HydrophobicContact CB-CD2 4.13Å; N135-L138 HydrophobicContact CB-CG 4.18Å | ||
| 139 | V | 87.3 | Confident | 88 | Confident | 60 Ų | 60 | 67 Ų | 67 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | trans | -84.5 | 142.8 | 177.8 | -65 | 0 | 0 | 0 | 0 | 110.7 | T62 C63 D137 K141 L168 | T62-V139 PolarHBondContact O-N 3.03Å; T62-V139 VanDerWaalsContact O-N 3.15Å; C63-V139 HydrophobicContact CB-CG2 3.52Å; D137-V139 PolarHBondContact O-N 3.3Å; V139-K141 WeakPolarHBondContact CG2-O 3.28Å; V139-L168 WeakPolarHBondContact O-CD1 3.32Å | ||
| 140 | Q | 86.2 | Confident | 87.7 | Confident | 162 Ų | 162 | 64.2 Ų | 64.2 | 76% | 0.757 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -86 | -11.9 | 176.6 | -64.7 | -178.6 | -7.1 | 0 | 0 | 113.4 | L168 | Q140-L168 PolarHBondContact O-N 2.81Š|
| 141 | K | 88.9 | Confident | 87.7 | Confident | 89 Ų | 89 | 65 Ų | 65 | 39% | 0.387 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 146 | -178 | -59.9 | -177 | -177.8 | 176.9 | 0 | 111.1 | V139 M163 G164 Q166 I167 | V139-K141 WeakPolarHBondContact CG2-O 3.28Å; K141-M163 HydrophobicContact CD-CG 4.49Å; K141-M163 HydrophobicContact CD-SD 4.39Å; K141-G164 VanDerWaalsContact CB-O 3.31Å; K141-G164 WeakPolarHBondContact CB-O 3.34Å; K141-G164 WeakPolarHBondContact CD-O 3.39Å; K141-Q166 CarbonylContact C-O 3.54Å; K141-Q166 WeakPolarHBondContact CA-O 3.47Å; K141-Q166 WeakPolarHBondContact CB-O 3.48Å; K141-I167 HydrophobicContact CG-CG1 4.19Å |
| 142 | Y | 92.5 | Very high | 87.8 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 171.7 | 179.6 | 78.2 | -72.1 | 0 | 0 | 0 | 111.8 | E65 P144 G164 C165 Q166 L168 | E65-Y142 HydrophobicContact CB-CD2 3.79Å; E65-Y142 HydrophobicContact CB-CE2 3.81Å; E65-Y142 HydrophobicContact CB-CG 4.35Å; E65-Y142 HydrophobicContact CG-CD2 3.79Å; E65-Y142 HydrophobicContact CG-CE1 4.1Å; E65-Y142 HydrophobicContact CG-CE2 3.29Å; E65-Y142 HydrophobicContact CG-CG 4.36Å; E65-Y142 VanDerWaalsContact CG-CZ 3.47Å; Y142-P144 HydrophobicContact CE2-CB 4.1Å; Y142-G164 VanDerWaalsContact C-CA 3.44Å; Y142-G164 CarbonylContact O-C 3.42Å; Y142-G164 WeakPolarHBondContact O-CA 3.38Å; Y142-C165 PolarHBondContact O-N 3.41Å; Y142-Q166 HydrophobicContact CD1-CB 4.36Å; Y142-Q166 WeakPolarHBondContact CD1-O 3.5Å; Y142-Q166 HydrophobicContact CE1-CB 4.03Å; Y142-Q166 HydrophobicContact CE1-CG 3.89Å; Y142-Q166 PolarHBondContact N-O 2.73Å; Y142-Q166 PolarHBondContact O-N 3.17Å; Y142-Q166 PolarHBondContact OH-NE2 2.76Å; Y142-L168 HydrophobicContact CD1-CD2 3.56Å; Y142-L168 HydrophobicContact CD1-CG 3.91Å; Y142-L168 HydrophobicContact CE1-CD2 3.94Å; Y142-L168 HydrophobicContact CG-CD2 4.15Å |
| 143 | H | 92.4 | Very high | 87.9 | Confident | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | trans | -102.5 | 115.2 | 175.8 | -70.3 | -66.8 | 0 | 0 | 0 | 109.7 | Q103 C145 Y152 C155 A162 M163 | Q103-H143 PolarHBondContact NE2-O 3Å; Q103-H143 PolarHBondContact OE1-O 2.98Å; H143-C145 VanDerWaalsContact C-N 3.28Å; H143-C145 PolarHBondContact O-N 3.26Å; H143-Y152 HydrophobicContact CB-CD1 3.57Å; H143-Y152 HydrophobicContact CB-CE1 3.63Å; H143-Y152 HydrophobicContact CB-CG 4.2Å; H143-Y152 AromaticContact CD2-CD1 3.89Å; H143-Y152 AromaticContact CD2-CD2 3.75Å; H143-Y152 AromaticContact CD2-CE1 3.55Å; H143-Y152 AromaticContact CD2-CE2 3.4Å; H143-Y152 WeakPolarHBondContact CD2-CE2 3.47Å; H143-Y152 AromaticContact CD2-CG 3.99Å; H143-Y152 AromaticContact CD2-CZ 3.3Å; H143-Y152 AromaticContact CE1-CD2 3.75Å; H143-Y152 AromaticContact CG-CD1 3.57Å; H143-Y152 AromaticContact CG-CD2 3.95Å; H143-Y152 AromaticContact CG-CE1 3.64Å; H143-Y152 AromaticContact CG-CG 3.74Å; H143-Y152 AromaticContact CG-CZ 3.87Å; H143-Y152 AromaticContact ND1-CD2 3.99Å; H143-Y152 AromaticContact ND1-CG 3.83Å; H143-Y152 AromaticContact NE2-CD2 3.61Å; H143-Y152 AromaticContact NE2-CE2 3.43Å; H143-Y152 WeakPolarHBondContact NE2-CE2 3.29Å; H143-Y152 AromaticContact NE2-CZ 3.86Å; H143-C155 VanDerWaalsContact CE1-SG 3.56Å; H143-A162 PolarHBondContact NE2-O 2.84Å; H143-M163 PolarHBondContact CE1-O 2.85Å; H143-M163 PolarHBondContact NE2-O 3.31Å | ||
| 144 | P | 91.9 | Very high | 88 | Confident | 17 Ų | 17 | 63 Ų | 63 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -73 | -18.4 | -176.6 | 29.4 | -37 | 0 | 0 | 0 | 113.6 | V67 V68 Y142 C154 Q166 | V67-P144 CarbonylContact C-O 3.56Å; V67-P144 WeakPolarHBondContact CA-O 3.14Å; V68-P144 HydrophobicContact CG2-CB 4.34Å; V68-P144 WeakPolarHBondContact CG2-O 2.89Å; V68-P144 PolarHBondContact N-O 3.37Å; Y142-P144 HydrophobicContact CE2-CB 4.1Å; P144-C154 HydrophobicContact CG-CB 3.8Å; P144-Q166 HydrophobicContact CG-CB 4.4Å |
| 145 | C | 92.4 | Very high | 88.6 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -113.4 | 162.2 | -176.9 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | H143 L153 C154 | H143-C145 VanDerWaalsContact C-N 3.28Å; H143-C145 PolarHBondContact O-N 3.26Å; C145-L153 HydrophobicContact CB-CB 3.85Å; C145-C154 HydrophobicContact CB-CB 3.71Å |
| 146 | F | 91.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | trans | -60.9 | 147.3 | 178.7 | -70 | -69.1 | 0 | 0 | 0 | 113.9 | V67 V68 E70 P101 Y112 F114 I148 L153 | V67-F146 HydrophobicContact CB-CE1 4.4Å; V67-F146 HydrophobicContact CB-CZ 4.35Å; V67-F146 HydrophobicContact CG1-CD1 3.79Å; V67-F146 HydrophobicContact CG1-CD2 3.91Å; V67-F146 HydrophobicContact CG1-CE1 3.7Å; V67-F146 HydrophobicContact CG1-CE2 3.79Å; V67-F146 HydrophobicContact CG1-CG 3.91Å; V67-F146 HydrophobicContact CG1-CZ 3.7Å; V68-F146 WeakPolarHBondContact O-CE2 3.42Å; E70-F146 HydrophobicContact CG-CD2 3.99Å; E70-F146 HydrophobicContact CG-CE2 3.62Å; E70-F146 HydrophobicContact CG-CZ 4.45Å; P101-F146 HydrophobicContact CB-CE1 4.31Å; P101-F146 HydrophobicContact CB-CZ 3.68Å; P101-F146 HydrophobicContact CG-CE2 4.44Å; P101-F146 HydrophobicContact CG-CZ 3.91Å; Y112-F146 AromaticContact CD1-CD1 3.52Å; Y112-F146 HydrophobicContact CD1-CD1 3.52Å; Y112-F146 AromaticContact CD1-CE1 3.59Å; Y112-F146 HydrophobicContact CD1-CE1 3.59Å; Y112-F146 HydrophobicContact CD2-CD1 4.06Å; Y112-F146 HydrophobicContact CD2-CE1 4.48Å; Y112-F146 AromaticContact CE1-CD1 3.62Å; Y112-F146 HydrophobicContact CE1-CD1 3.62Å; Y112-F146 HydrophobicContact CE1-CE1 4.14Å; Y112-F146 HydrophobicContact CE2-CD1 4.17Å; Y112-F146 AromaticContact CG-CD1 3.74Å; Y112-F146 HydrophobicContact CG-CD1 3.74Å; Y112-F146 AromaticContact CG-CE1 3.78Å; Y112-F146 HydrophobicContact CG-CE1 3.78Å; Y112-F146 AromaticContact CZ-CD1 3.96Å; F114-F146 AromaticContact CE1-CZ 3.91Å; F114-F146 HydrophobicContact CE1-CZ 3.91Å; F114-F146 HydrophobicContact CE2-CE1 4.31Å; F114-F146 HydrophobicContact CE2-CZ 4.38Å; F114-F146 AromaticContact CZ-CE1 3.8Å; F114-F146 HydrophobicContact CZ-CE1 3.8Å; F114-F146 AromaticContact CZ-CZ 3.48Å; F114-F146 HydrophobicContact CZ-CZ 3.48Å; F114-F146 VanDerWaalsContact CZ-CZ 3.48Å; F146-I148 HydrophobicContact CB-CD1 3.92Å; F146-I148 HydrophobicContact CB-CG1 3.75Å; F146-L153 HydrophobicContact CB-CD1 4.5Å; F146-L153 WeakPolarHBondContact O-CG 3.49Å; F146-L153 PolarHBondContact O-N 2.87Å | ||
| 147 | W | 89 | Confident | 89.1 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 118 | 158.2 | 177.7 | -84.3 | 0 | 0 | 0 | 109.8 | R13 Y112 G150 Q151 Y152 Q157 T158 A159 K160 | R13-W147 PolarHBondContact NH1-O 2.81Å; R13-W147 PolarHBondContact NH2-O 2.78Å; Y112-W147 HydrophobicContact CE2-CB 4.22Å; Y112-W147 WeakPolarHBondContact OH-CB 3.35Å; Y112-W147 PolarHBondContact OH-N 3.17Å; W147-G150 VanDerWaalsContact CH2-O 3.26Å; W147-G150 WeakPolarHBondContact CH2-O 3.47Å; W147-G150 VanDerWaalsContact CZ2-CA 3.45Å; W147-G150 WeakPolarHBondContact CZ2-O 3.48Å; W147-Q151 WeakPolarHBondContact CA-O 3.33Å; W147-Q151 VanDerWaalsContact CE3-C 3.49Å; W147-Y152 HydrophobicContact CB-CD1 4.12Å; W147-Y152 HydrophobicContact CB-CE1 3.96Å; W147-Y152 HydrophobicContact CE3-CD1 4.07Å; W147-Y152 AromaticContact CE3-CD2 3.39Å; W147-Y152 HydrophobicContact CE3-CD2 3.39Å; W147-Y152 HydrophobicContact CE3-CE1 4.1Å; W147-Y152 AromaticContact CE3-CE2 3.43Å; W147-Y152 HydrophobicContact CE3-CE2 3.43Å; W147-Y152 VanDerWaalsContact CE3-CE2 3.43Å; W147-Y152 AromaticContact CE3-CG 3.71Å; W147-Y152 HydrophobicContact CE3-CG 3.71Å; W147-Y152 AromaticContact CE3-CZ 3.79Å; W147-Y152 AromaticContact CZ3-CD2 3.59Å; W147-Y152 HydrophobicContact CZ3-CD2 3.59Å; W147-Y152 AromaticContact CZ3-CE2 3.67Å; W147-Y152 HydrophobicContact CZ3-CE2 3.67Å; W147-Y152 HydrophobicContact CZ3-CG 4.3Å; W147-Q157 WeakPolarHBondContact CZ3-O 3.33Å; W147-T158 WeakPolarHBondContact CH2-O 3.5Å; W147-A159 WeakPolarHBondContact CZ3-O 3.34Å; W147-K160 HydrophobicContact CD2-CG 3.72Å; W147-K160 VanDerWaalsContact CE2-CG 3.41Å; W147-K160 HydrophobicContact CE3-CG 4.09Å; W147-K160 HydrophobicContact CG-CG 4.28Å; W147-K160 HydrophobicContact CH2-CB 4.43Å; W147-K160 HydrophobicContact CH2-CG 3.79Å; W147-K160 HydrophobicContact CZ2-CD 4.45Å; W147-K160 HydrophobicContact CZ2-CG 3.45Å; W147-K160 VanDerWaalsContact CZ2-CG 3.45Å; W147-K160 HydrophobicContact CZ3-CG 4.14Å; W147-K160 VanDerWaalsContact NE1-CE 3.31Å |
| 148 | I | 86.1 | Confident | 89.4 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 19% | 0.185 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 140.6 | 179.7 | -50.3 | -167 | 0 | 0 | 0 | 108.5 | F146 G150 Q151 L153 | F146-I148 HydrophobicContact CB-CD1 3.92Å; F146-I148 HydrophobicContact CB-CG1 3.75Å; I148-G150 PolarHBondContact O-N 3.2Å; I148-Q151 PolarHBondContact N-O 3.44Å; I148-Q151 PolarHBondContact O-N 3.27Å; I148-L153 HydrophobicContact CD1-CD1 3.88Å; I148-L153 HydrophobicContact CG1-CD1 4.19Å; I148-L153 HydrophobicContact CG1-CG 4.48Å |
| 149 | D | 83.9 | Confident | 89.3 | Confident | 132 Ų | 132 | 55.1 Ų | 55.1 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 27.3 | 174.9 | -57.6 | -29.2 | 0 | 0 | 0 | 116.2 | ||
| 150 | G | 84.9 | Confident | 89.1 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 13.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W147 I148 T158 | W147-G150 VanDerWaalsContact CH2-O 3.26Å; W147-G150 WeakPolarHBondContact CH2-O 3.47Å; W147-G150 VanDerWaalsContact CZ2-CA 3.45Å; W147-G150 WeakPolarHBondContact CZ2-O 3.48Å; I148-G150 PolarHBondContact O-N 3.2Å; G150-T158 VanDerWaalsContact O-CA 3.31Å; G150-T158 WeakPolarHBondContact O-CA 3.39Å |
| 151 | Q | 89.4 | Confident | 89.1 | Confident | 79 Ų | 79 | 54.2 Ų | 54.2 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 156.7 | 174.5 | 65 | -177.2 | 19.1 | 0 | 0 | 113.3 | W147 I148 Q157 T158 | W147-Q151 WeakPolarHBondContact CA-O 3.33Å; W147-Q151 VanDerWaalsContact CE3-C 3.49Å; I148-Q151 PolarHBondContact N-O 3.44Å; I148-Q151 PolarHBondContact O-N 3.27Å; Q151-Q157 CarbonylContact C-O 3.52Å; Q151-Q157 VanDerWaalsContact CA-O 3.24Å; Q151-Q157 WeakPolarHBondContact CA-O 3.34Å; Q151-T158 HydrophobicContact CB-CG2 4.27Å |
| 152 | Y | 90.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 126.3 | 167.5 | -77.7 | -72.3 | 0 | 0 | 0 | 111 | P110 H143 W147 C154 C155 S156 Q157 A159 K160 | P110-Y152 HydrophobicContact CG-CE1 4.46Å; H143-Y152 HydrophobicContact CB-CD1 3.57Å; H143-Y152 HydrophobicContact CB-CE1 3.63Å; H143-Y152 HydrophobicContact CB-CG 4.2Å; H143-Y152 AromaticContact CD2-CD1 3.89Å; H143-Y152 AromaticContact CD2-CD2 3.75Å; H143-Y152 AromaticContact CD2-CE1 3.55Å; H143-Y152 AromaticContact CD2-CE2 3.4Å; H143-Y152 WeakPolarHBondContact CD2-CE2 3.47Å; H143-Y152 AromaticContact CD2-CG 3.99Å; H143-Y152 AromaticContact CD2-CZ 3.3Å; H143-Y152 AromaticContact CE1-CD2 3.75Å; H143-Y152 AromaticContact CG-CD1 3.57Å; H143-Y152 AromaticContact CG-CD2 3.95Å; H143-Y152 AromaticContact CG-CE1 3.64Å; H143-Y152 AromaticContact CG-CG 3.74Å; H143-Y152 AromaticContact CG-CZ 3.87Å; H143-Y152 AromaticContact ND1-CD2 3.99Å; H143-Y152 AromaticContact ND1-CG 3.83Å; H143-Y152 AromaticContact NE2-CD2 3.61Å; H143-Y152 AromaticContact NE2-CE2 3.43Å; H143-Y152 WeakPolarHBondContact NE2-CE2 3.29Å; H143-Y152 AromaticContact NE2-CZ 3.86Å; W147-Y152 HydrophobicContact CB-CD1 4.12Å; W147-Y152 HydrophobicContact CB-CE1 3.96Å; W147-Y152 HydrophobicContact CE3-CD1 4.07Å; W147-Y152 AromaticContact CE3-CD2 3.39Å; W147-Y152 HydrophobicContact CE3-CD2 3.39Å; W147-Y152 HydrophobicContact CE3-CE1 4.1Å; W147-Y152 AromaticContact CE3-CE2 3.43Å; W147-Y152 HydrophobicContact CE3-CE2 3.43Å; W147-Y152 VanDerWaalsContact CE3-CE2 3.43Å; W147-Y152 AromaticContact CE3-CG 3.71Å; W147-Y152 HydrophobicContact CE3-CG 3.71Å; W147-Y152 AromaticContact CE3-CZ 3.79Å; W147-Y152 AromaticContact CZ3-CD2 3.59Å; W147-Y152 HydrophobicContact CZ3-CD2 3.59Å; W147-Y152 AromaticContact CZ3-CE2 3.67Å; W147-Y152 HydrophobicContact CZ3-CE2 3.67Å; W147-Y152 HydrophobicContact CZ3-CG 4.3Å; Y152-C154 PolarHBondContact O-N 3Å; Y152-C155 PolarHBondContact O-N 2.83Å; Y152-S156 VanDerWaalsContact O-CA 3.31Å; Y152-S156 WeakPolarHBondContact O-CA 3.41Å; Y152-S156 PolarHBondContact O-N 3Å; Y152-Q157 HydrophobicContact CD2-CB 4.26Å; Y152-Q157 PolarHBondContact N-O 3.26Å; Y152-A159 WeakPolarHBondContact CE2-O 3.29Å; Y152-K160 PolarHBondContact OH-O 2.87Å |
| 153 | L | 91.2 | Very high | 88.7 | Confident | 97 Ų | 97 | 56.6 Ų | 56.6 | 51% | 0.508 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.2 | -179.6 | -66.2 | -179.9 | 0 | 0 | 0 | 114.2 | C145 F146 I148 | C145-L153 HydrophobicContact CB-CB 3.85Å; F146-L153 HydrophobicContact CB-CD1 4.5Å; F146-L153 WeakPolarHBondContact O-CG 3.49Å; F146-L153 PolarHBondContact O-N 2.87Å; I148-L153 HydrophobicContact CD1-CD1 3.88Å; I148-L153 HydrophobicContact CG1-CD1 4.19Å; I148-L153 HydrophobicContact CG1-CG 4.48Å |
| 154 | C | 89.9 | Confident | 88.6 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 29% | 0.291 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -27.1 | -179.1 | 45.9 | 0 | 0 | 0 | 0 | 114.1 | P144 C145 Y152 | P144-C154 HydrophobicContact CG-CB 3.8Å; C145-C154 HydrophobicContact CB-CB 3.71Å; Y152-C154 PolarHBondContact O-N 3Å |
| 155 | C | 89.6 | Confident | 88.4 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 28% | 0.284 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.7 | 7.1 | -171.1 | 62.6 | 0 | 0 | 0 | 0 | 114.5 | H143 Y152 Q157 C165 | H143-C155 VanDerWaalsContact CE1-SG 3.56Å; Y152-C155 PolarHBondContact O-N 2.83Å; C155-Q157 HydrophobicContact CB-CG 4.47Å; C155-Q157 PolarHBondContact O-N 3.03Å; C155-Q157 VanDerWaalsContact SG-CG 3.55Å; C155-Q157 PolarHBondContact SG-NE2 2.86Å; C155-C165 HydrophobicContact CB-CB 3.71Å |
| 156 | S | 91.4 | Very high | 88.3 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | trans | 57.4 | 19.7 | 178.6 | -54.7 | 0 | 0 | 0 | 0 | 115.2 | Y152 | Y152-S156 VanDerWaalsContact O-CA 3.31Å; Y152-S156 WeakPolarHBondContact O-CA 3.41Å; Y152-S156 PolarHBondContact O-N 3Å | ||
| 157 | Q | 88.8 | Confident | 88.1 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 29% | 0.29 | 38% | 0.375 | S | S | . | . | trans | -70.4 | 133.7 | 174.8 | -72.3 | -176.9 | 61.6 | 0 | 0 | 109.5 | W147 Q151 Y152 C155 A162 M163 | W147-Q157 WeakPolarHBondContact CZ3-O 3.33Å; Q151-Q157 CarbonylContact C-O 3.52Å; Q151-Q157 VanDerWaalsContact CA-O 3.24Å; Q151-Q157 WeakPolarHBondContact CA-O 3.34Å; Y152-Q157 HydrophobicContact CD2-CB 4.26Å; Y152-Q157 PolarHBondContact N-O 3.26Å; C155-Q157 HydrophobicContact CB-CG 4.47Å; C155-Q157 PolarHBondContact O-N 3.03Å; C155-Q157 VanDerWaalsContact SG-CG 3.55Å; C155-Q157 PolarHBondContact SG-NE2 2.86Å; Q157-A162 HydrophobicContact CB-CB 4.14Å; Q157-M163 PolarHBondContact NE2-O 2.81Å; Q157-M163 VanDerWaalsContact NE2-O 3.16Å; Q157-M163 PolarHBondContact OE1-O 3.09Å | ||
| 158 | T | 90 | Very high | 87.9 | Confident | 110 Ų | 110 | 67.2 Ų | 67.2 | 68% | 0.675 | 38% | 0.38 | S | S | * | . | trans | -103.9 | 12.3 | -170.5 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | W147 G150 Q151 | W147-T158 WeakPolarHBondContact CH2-O 3.5Å; G150-T158 VanDerWaalsContact O-CA 3.31Å; G150-T158 WeakPolarHBondContact O-CA 3.39Å; Q151-T158 HydrophobicContact CB-CG2 4.27Å | ||
| 159 | A | 86.4 | Confident | 87.2 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 35% | 0.347 | 41% | 0.412 | S | S | . | . | trans | -118.7 | 132.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W147 Y152 N161 A162 | W147-A159 WeakPolarHBondContact CZ3-O 3.34Å; Y152-A159 WeakPolarHBondContact CE2-O 3.29Å; A159-N161 VanDerWaalsContact C-N 3.29Å; A159-N161 PolarHBondContact O-N 2.79Å; A159-A162 HydrophobicContact CB-CB 4.12Å; A159-A162 WeakPolarHBondContact O-CB 3.23Å; A159-A162 PolarHBondContact O-N 3.25Å; A159-A162 VanDerWaalsContact O-N 3.09Å | ||
| 160 | K | 84.5 | Confident | 85.4 | Confident | 60 Ų | 60 | 74.7 Ų | 74.7 | 26% | 0.261 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -33.4 | -176.3 | -76.6 | -173.1 | -177.5 | 176.1 | 0 | 112.8 | Q15 Q16 W147 Y152 A162 | Q15-K160 PolarHBondContact O-NZ 2.76Å; Q16-K160 PolarHBondContact O-NZ 3.29Å; W147-K160 HydrophobicContact CD2-CG 3.72Å; W147-K160 VanDerWaalsContact CE2-CG 3.41Å; W147-K160 HydrophobicContact CE3-CG 4.09Å; W147-K160 HydrophobicContact CG-CG 4.28Å; W147-K160 HydrophobicContact CH2-CB 4.43Å; W147-K160 HydrophobicContact CH2-CG 3.79Å; W147-K160 HydrophobicContact CZ2-CD 4.45Å; W147-K160 HydrophobicContact CZ2-CG 3.45Å; W147-K160 VanDerWaalsContact CZ2-CG 3.45Å; W147-K160 HydrophobicContact CZ3-CG 4.14Å; W147-K160 VanDerWaalsContact NE1-CE 3.31Å; Y152-K160 PolarHBondContact OH-O 2.87Å; K160-A162 VanDerWaalsContact C-N 3.27Å |
| 161 | N | 85.2 | Confident | 83.3 | Confident | 143 Ų | 143 | 85.5 Ų | 85.5 | 77% | 0.765 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 7.9 | 177.2 | 64.2 | -22.4 | 0 | 0 | 0 | 112.8 | A159 | A159-N161 VanDerWaalsContact C-N 3.29Å; A159-N161 PolarHBondContact O-N 2.79Å |
| 162 | A | 85.2 | Confident | 80.6 | Confident | 23 Ų | 23 | 89 Ų | 89 | 19% | 0.19 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -66.3 | 144.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | H143 Q157 A159 K160 | H143-A162 PolarHBondContact NE2-O 2.84Å; Q157-A162 HydrophobicContact CB-CB 4.14Å; A159-A162 HydrophobicContact CB-CB 4.12Å; A159-A162 WeakPolarHBondContact O-CB 3.23Å; A159-A162 PolarHBondContact O-N 3.25Å; A159-A162 VanDerWaalsContact O-N 3.09Å; K160-A162 VanDerWaalsContact C-N 3.27Å |
| 163 | M | 87.4 | Confident | 77.6 | Confident | 139 Ų | 139 | 92.4 Ų | 92.4 | 69% | 0.685 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 139.3 | -177.2 | -173.9 | 178.5 | -69.3 | 0 | 0 | 111.3 | K141 H143 Q157 | K141-M163 HydrophobicContact CD-CG 4.49Å; K141-M163 HydrophobicContact CD-SD 4.39Å; H143-M163 PolarHBondContact CE1-O 2.85Å; H143-M163 PolarHBondContact NE2-O 3.31Å; Q157-M163 PolarHBondContact NE2-O 2.81Å; Q157-M163 VanDerWaalsContact NE2-O 3.16Å; Q157-M163 PolarHBondContact OE1-O 3.09Å |
| 164 | G | 89.9 | Confident | 74.9 | Confident | 9 Ų | 9 | 93.8 Ų | 93.8 | 9% | 0.093 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 146.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K141 Y142 | K141-G164 VanDerWaalsContact CB-O 3.31Å; K141-G164 WeakPolarHBondContact CB-O 3.34Å; K141-G164 WeakPolarHBondContact CD-O 3.39Å; Y142-G164 VanDerWaalsContact C-CA 3.44Å; Y142-G164 CarbonylContact O-C 3.42Å; Y142-G164 WeakPolarHBondContact O-CA 3.38Å |
| 165 | C | 88.1 | Confident | 72.1 | Confident | 60 Ų | 60 | 99.7 Ų | 99.7 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -91.7 | -11.4 | 178.5 | 65.5 | 0 | 0 | 0 | 0 | 114.5 | Y142 C155 | Y142-C165 PolarHBondContact O-N 3.41Å; C155-C165 HydrophobicContact CB-CB 3.71Å |
| 166 | Q | 90.1 | Very high | 69.3 | Low | 80 Ų | 80 | 107.1 Ų | 107.1 | 37% | 0.374 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.9 | 179.6 | -175.2 | 170.5 | -21.7 | 0 | 0 | 111.2 | K141 Y142 P144 | K141-Q166 CarbonylContact C-O 3.54Å; K141-Q166 WeakPolarHBondContact CA-O 3.47Å; K141-Q166 WeakPolarHBondContact CB-O 3.48Å; Y142-Q166 HydrophobicContact CD1-CB 4.36Å; Y142-Q166 WeakPolarHBondContact CD1-O 3.5Å; Y142-Q166 HydrophobicContact CE1-CB 4.03Å; Y142-Q166 HydrophobicContact CE1-CG 3.89Å; Y142-Q166 PolarHBondContact N-O 2.73Å; Y142-Q166 PolarHBondContact O-N 3.17Å; Y142-Q166 PolarHBondContact OH-NE2 2.76Å; P144-Q166 HydrophobicContact CG-CB 4.4Å |
| 167 | I | 88.4 | Confident | 66.5 | Low | 114 Ų | 114 | 109.6 Ų | 109.6 | 59% | 0.585 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.3 | 139.7 | 178.3 | -60.4 | 170.8 | 0 | 0 | 0 | 109.6 | K141 E169 | K141-I167 HydrophobicContact CG-CG1 4.19Å; I167-E169 PolarHBondContact O-N 3.47Å |
| 168 | L | 84.1 | Confident | 63.6 | Low | 38 Ų | 38 | 110.1 Ų | 110.1 | 20% | 0.199 | 62% | 0.616 | C | S | . | * | trans | -71.7 | 120.6 | 170.3 | -72.6 | 166.5 | 0 | 0 | 0 | 109.7 | E65 V139 Q140 Y142 N170 | E65-L168 HydrophobicContact CB-CD2 4.47Å; E65-L168 HydrophobicContact CG-CD2 4.3Å; V139-L168 WeakPolarHBondContact O-CD1 3.32Å; Q140-L168 PolarHBondContact O-N 2.81Å; Y142-L168 HydrophobicContact CD1-CD2 3.56Å; Y142-L168 HydrophobicContact CD1-CG 3.91Å; Y142-L168 HydrophobicContact CE1-CD2 3.94Å; Y142-L168 HydrophobicContact CG-CD2 4.15Å; L168-N170 PolarHBondContact O-N 2.66Å; L168-N170 VanDerWaalsContact O-N 3.11Å | ||
| 169 | E | 70.9 | Confident | 60.9 | Low | 181 Ų | 181 | 110.8 Ų | 110.8 | 85% | 0.846 | 63% | 0.625 | S | S | * | * | trans | -72.9 | 102.9 | 174.1 | -64.8 | -173.7 | 167.3 | 0 | 0 | 109.6 | I167 | I167-E169 PolarHBondContact O-N 3.47Š| ||
| 170 | N | 47.6 | Very low | 58.2 | Low | 144 Ų | 144 | 114.1 Ų | 114.1 | 77% | 0.77 | 65% | 0.646 | S | S | * | * | trans | -83.8 | 138.9 | 168.9 | -95.4 | -7.5 | 0 | 0 | 0 | 109.9 | L168 N172 | L168-N170 PolarHBondContact O-N 2.66Å; L168-N170 VanDerWaalsContact O-N 3.11Å; N170-N172 PolarHBondContact O-N 2.94Å | ||
| 171 | R | 40.3 | Very low | 55.8 | Low | 247 Ų | 247 | 120 Ų | 120 | 93% | 0.932 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -74.7 | 48.7 | -176.8 | -146.4 | -174.9 | -169 | -164.1 | 2.1 | 113 | ||
| 172 | N | 31.8 | Very low | 53.4 | Low | 153 Ų | 153 | 124.9 Ų | 124.9 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -142.1 | 116 | 165.6 | -88 | -6.7 | 0 | 0 | 0 | 109 | N170 | N170-N172 PolarHBondContact O-N 2.94Š|
| 173 | G | 29.8 | Very low | 50.9 | Low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | 70.4 | 99.4 | 153 | 0 | 0 | 0 | 0 | 0 | 116.6 | L175 | G173-L175 PolarHBondContact O-N 3.21Š| ||
| 174 | S | 33.7 | Very low | 48.2 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | trans | -46.9 | 121.1 | 165.4 | -44 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 175 | L | 30.9 | Very low | 45.4 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -129.6 | 108.3 | 154 | -84.8 | 160.1 | 0 | 0 | 0 | 107.4 | G173 | G173-L175 PolarHBondContact O-N 3.21Š| ||
| 176 | K | 30.3 | Very low | 42.7 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 136.6 | 171.9 | -67.1 | -176.3 | 177.1 | -179.5 | 0 | 108.8 | G178 | K176-G178 PolarHBondContact O-N 3.1Š| ||
| 177 | P | 32.9 | Very low | 40.2 | Very low | 131 Ų | 131 | 151.5 Ų | 151.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -77 | 108.5 | 172 | 26.7 | -24 | 0 | 0 | 0 | 109.1 | ||||
| 178 | G | 27.9 | Very low | 37.7 | Very low | 73 Ų | 73 | 153.9 Ų | 153.9 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -63.1 | 131.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K176 S180 | K176-G178 PolarHBondContact O-N 3.1Å; G178-S180 PolarHBondContact O-N 3.2Å | ||
| 179 | S | 32.8 | Very low | 35.6 | Very low | 125 Ų | 125 | 157.5 Ų | 157.5 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -47 | 128.8 | 165.8 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 180 | S | 30.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 154.5 Ų | 154.5 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -159.6 | 107.1 | 148 | -171 | 0 | 0 | 0 | 0 | 111.6 | G178 | G178-S180 PolarHBondContact O-N 3.2Š| ||
| 181 | H | 34.8 | Very low | 33.4 | Very low | 184 Ų | 184 | 154 Ų | 154 | 85% | 0.852 | 84% | 0.839 | S | S | * | * | trans | -62.4 | 127.3 | 154 | -88.6 | -25.1 | 0 | 0 | 0 | 110.3 | ||||
| 182 | R | 33.3 | Very low | 33.5 | Very low | 245 Ų | 245 | 147 Ų | 147 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -164.4 | 136.7 | 130.5 | -117.2 | 171.4 | -178.8 | -172.9 | -0.3 | 114.1 | ||||
| 183 | K | 32.6 | Very low | 33.4 | Very low | 209 Ų | 209 | 147.7 Ų | 147.7 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -71.2 | 145.2 | 178.7 | -65.8 | 171.9 | 175.7 | 174.9 | 0 | 111.2 | ||||
| 184 | T | 30.7 | Very low | 33.4 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -83.3 | 140.1 | 168.2 | 46 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 185 | K | 32.5 | Very low | 33.1 | Very low | 207 Ų | 207 | 151.8 Ų | 151.8 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | trans | -151.6 | 118.1 | 148.3 | -74.1 | -161.9 | 177.9 | 179.5 | 0 | 110.3 | ||||
| 186 | K | 31 | Very low | 33 | Very low | 203 Ų | 203 | 153.4 Ų | 153.4 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -6.7 | 173.6 | 151.8 | -74.7 | -178.5 | 176.3 | -175.6 | 0 | 120.1 | ||||
| 187 | P | 38.3 | Very low | 32.9 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | cis | -138.6 | 179.5 | -18.5 | 29.5 | -5.6 | 0 | 0 | 0 | 116 | ||||
| 188 | L | 34.5 | Very low | 32.7 | Very low | 164 Ų | 164 | 151.5 Ų | 151.5 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -66.2 | 166.3 | 163 | -74.3 | 160.2 | 0 | 0 | 0 | 112.4 | ||||
| 189 | P | 40.2 | Very low | 32.6 | Very low | 114 Ų | 114 | 157.1 Ų | 157.1 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | cis | -152.3 | -149.8 | 46.4 | 44 | -20.2 | 0 | 0 | 0 | 113.6 | ||||
| 190 | P | 36.1 | Very low | 32.3 | Very low | 118 Ų | 118 | 160.6 Ų | 160.6 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | cis | -130.3 | 178.9 | -21.1 | 36.2 | -15.9 | 0 | 0 | 0 | 115.4 | ||||
| 191 | T | 35.7 | Very low | 32.2 | Very low | 133 Ų | 133 | 160.9 Ų | 160.9 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -95.7 | 158.5 | 160.8 | 30.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 192 | P | 43 | Very low | 31.8 | Very low | 100 Ų | 100 | 160 Ų | 160 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | -152.6 | 146.9 | 100.6 | 34.4 | -12.9 | 0 | 0 | 0 | 116.3 | |||||
| 193 | E | 30.6 | Very low | 32 | Very low | 167 Ų | 167 | 153.6 Ų | 153.6 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | 82 | 145.7 | 116.3 | -69.9 | 168.4 | -169.7 | 0 | 0 | 115 | |||||
| 194 | E | 28.8 | Very low | 32.3 | Very low | 153 Ų | 153 | 149.3 Ų | 149.3 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | cis | -165.6 | 156.1 | 2.6 | -118.1 | 172.9 | 178.6 | 0 | 0 | 109.2 | ||||
| 195 | D | 28.2 | Very low | 32.4 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | 52.2 | 120 | 151.5 | -69.1 | -16.8 | 0 | 0 | 0 | 124.8 | ||||
| 196 | Q | 28.6 | Very low | 32.7 | Very low | 200 Ų | 200 | 147.9 Ų | 147.9 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | -167.6 | 152.8 | 116.5 | -103 | 171.2 | 42.1 | 0 | 0 | 113.4 | |||||
| 197 | I | 29.1 | Very low | 33 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -94.9 | 152.5 | -157.3 | -74.6 | 169.7 | 0 | 0 | 0 | 113.3 | ||||
| 198 | L | 27.1 | Very low | 33.1 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 88.2 | 114.8 | 157.4 | -76.7 | 155.2 | 0 | 0 | 0 | 122 | ||||
| 199 | K | 25.6 | Very low | 33.1 | Very low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | 68.8 | 113 | 141.1 | -70.7 | 177.4 | -177.3 | 178.1 | 0 | 120.8 | ||||
| 200 | K | 26.7 | Very low | 33 | Very low | 199 Ų | 199 | 138.3 Ų | 138.3 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -25.1 | 121.5 | 164.2 | -156.7 | 176.9 | -169.5 | -179.4 | 0 | 117.2 | ||||
| 201 | P | 28.7 | Very low | 33 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 145.6 | 154.4 | -1.8 | 21 | 0 | 0 | 0 | 111 | ||
| 202 | L | 27.7 | Very low | 32.9 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 141.2 | 174.7 | -75.8 | 153.8 | 0 | 0 | 0 | 111.1 | ||
| 203 | P | 36.9 | Very low | 32.7 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 142 | 169.4 | -16.8 | 29.6 | 0 | 0 | 0 | 110.9 | ||
| 204 | P | 37.6 | Very low | 33.2 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 155.1 | 176.4 | 28.4 | -32.9 | 0 | 0 | 0 | 111.4 | ||
| 205 | E | 33.4 | Very low | 34.3 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -39.5 | 126 | 173.7 | -119.7 | 172.3 | 173.4 | 0 | 0 | 111.5 | A207 | E205-A207 PolarHBondContact O-N 3.1Š| ||
| 206 | P | 39.8 | Very low | 36.2 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -66.4 | 112 | 173.9 | 23.9 | -28.2 | 0 | 0 | 0 | 108.8 | A208 | P206-A208 PolarHBondContact O-N 3.24Š| ||
| 207 | A | 37.5 | Very low | 38.6 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | trans | -49.7 | 133.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109 | E205 A209 | E205-A207 PolarHBondContact O-N 3.1Å; A207-A209 PolarHBondContact O-N 2.9Å | ||
| 208 | A | 39.3 | Very low | 41.3 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | trans | -45.9 | 114.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P206 | P206-A208 PolarHBondContact O-N 3.24Š| ||
| 209 | A | 34.4 | Very low | 44.2 | Very low | 83 Ų | 83 | 117.3 Ų | 117.3 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | trans | -68.5 | 145.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A207 V211 | A207-A209 PolarHBondContact O-N 2.9Å; A209-V211 PolarHBondContact O-N 2.99Å | ||
| 210 | P | 38.5 | Very low | 47.1 | Very low | 121 Ų | 121 | 109.7 Ų | 109.7 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | trans | -64.2 | 135.6 | -179.1 | 27.8 | -33.5 | 0 | 0 | 0 | 110 | S212 | P210-S212 PolarHBondContact O-N 3.47Š| ||
| 211 | V | 36.9 | Very low | 49.9 | Very low | 136 Ų | 136 | 100.3 Ų | 100.3 | 82% | 0.824 | 61% | 0.613 | S | S | * | * | trans | -59.6 | 100.1 | 169.8 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | A209 T213 | A209-V211 PolarHBondContact O-N 2.99Å; V211-T213 PolarHBondContact O-N 2.74Å | ||
| 212 | S | 33.2 | Very low | 52.2 | Low | 100 Ų | 100 | 96.7 Ų | 96.7 | 70% | 0.699 | 59% | 0.587 | S | S | * | * | trans | -72 | 113.6 | 161.6 | 56.2 | 0 | 0 | 0 | 0 | 107 | P210 S214 | P210-S212 PolarHBondContact O-N 3.47Å; S212-S214 PolarHBondContact O-N 3.22Å | ||
| 213 | T | 37.7 | Very low | 54.5 | Low | 135 Ų | 135 | 95.2 Ų | 95.2 | 83% | 0.828 | 57% | 0.571 | S | S | * | * | trans | -63.9 | 84.8 | 164.3 | 46.4 | 0 | 0 | 0 | 0 | 108.4 | V211 | V211-T213 PolarHBondContact O-N 2.74Š| ||
| 214 | S | 41.6 | Very low | 56.6 | Low | 83 Ų | 83 | 95.3 Ų | 95.3 | 58% | 0.58 | 57% | 0.566 | S | S | * | * | trans | -70.7 | 128.6 | 161.2 | 56.8 | 0 | 0 | 0 | 0 | 107.3 | S212 L216 | S212-S214 PolarHBondContact O-N 3.22Å; S214-L216 PolarHBondContact O-N 3.38Å | ||
| 215 | E | 51.3 | Low | 58.9 | Low | 195 Ų | 195 | 90.3 Ų | 90.3 | 91% | 0.911 | 53% | 0.531 | S | S | * | . | trans | -50.5 | 113 | 166.2 | -71.1 | 175.7 | 147.4 | 0 | 0 | 108.1 | K217 | E215-K217 PolarHBondContact O-N 3.24Š| ||
| 216 | L | 68.2 | Low | 61.5 | Low | 64 Ų | 64 | 88 Ų | 88 | 34% | 0.335 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -66 | 127.5 | -179.4 | -68.7 | 169.4 | 0 | 0 | 0 | 108.5 | S214 K218 F242 L244 | S214-L216 PolarHBondContact O-N 3.38Å; L216-K218 PolarHBondContact O-N 3.45Å; L216-F242 HydrophobicContact CB-CB 4.04Å; L216-F242 HydrophobicContact CB-CD1 4.16Å; L216-F242 HydrophobicContact CD1-CB 4.31Å; L216-L244 HydrophobicContact CD1-CD2 3.87Å; L216-L244 HydrophobicContact CD2-CD2 3.86Å |
| 217 | K | 79.3 | Confident | 63.7 | Low | 61 Ų | 61 | 84.9 Ų | 84.9 | 27% | 0.265 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 119.9 | -179.8 | 177.5 | 178 | -178.4 | 170.5 | 0 | 110 | E215 I243 E246 E271 | E215-K217 PolarHBondContact O-N 3.24Å; K217-I243 HydrophobicContact CB-CB 4.27Å; K217-I243 PolarHBondContact O-N 3.4Å; K217-E246 IonicContact NZ-OE1 2.67Å; K217-E246 PolarHBondContact NZ-OE1 3.3Å; K217-E246 IonicContact NZ-OE2 3.73Å; K217-E246 PolarHBondContact NZ-OE2 2.85Å; K217-E271 WeakPolarHBondContact CE-OE1 3.45Å; K217-E271 IonicContact NZ-OE1 3.61Å; K217-E271 PolarHBondContact NZ-OE1 2.76Å |
| 218 | K | 86.4 | Confident | 65.8 | Low | 78 Ų | 78 | 88 Ų | 88 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.4 | -176.8 | -168.3 | -178.2 | -179.2 | -169.5 | 0 | 110.9 | L216 E240 Y241 F242 A272 | L216-K218 PolarHBondContact O-N 3.45Å; K218-E240 WeakPolarHBondContact CE-OE1 3.01Å; K218-E240 WeakPolarHBondContact CE-OE2 3.33Å; K218-E240 IonicContact NZ-OE1 3.75Å; K218-E240 PolarHBondContact NZ-OE1 3.18Å; K218-E240 IonicContact NZ-OE2 2.83Å; K218-E240 PolarHBondContact NZ-OE2 2.99Å; K218-Y241 WeakPolarHBondContact CA-O 3.38Å; K218-F242 HydrophobicContact CB-CD1 4.28Å; K218-F242 HydrophobicContact CB-CE1 4.2Å; K218-F242 HydrophobicContact CD-CE1 4.14Å; K218-F242 HydrophobicContact CD-CZ 4.47Å; K218-F242 HydrophobicContact CG-CD1 4.32Å; K218-F242 HydrophobicContact CG-CE1 3.96Å; K218-F242 HydrophobicContact CG-CZ 4.48Å; K218-A272 HydrophobicContact CB-CB 4.22Å; K218-A272 HydrophobicContact CD-CB 4.2Å; K218-A272 HydrophobicContact CG-CB 4Å; K218-A272 WeakPolarHBondContact O-CB 3.27Å; K218-A272 PolarHBondContact O-N 3.47Å; K218-A272 VanDerWaalsContact O-N 3.14Å |
| 219 | V | 86.4 | Confident | 68 | Low | 1 Ų | 1 | 86.7 Ų | 86.7 | 1% | 0.006 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 157.4 | -179.8 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | E240 Y241 I243 V269 T270 | V219-E240 CarbonylContact O-C 3.45Å; V219-E240 WeakPolarHBondContact O-CA 3.18Å; V219-Y241 PolarHBondContact N-O 2.84Å; V219-Y241 PolarHBondContact O-N 3.37Å; V219-I243 HydrophobicContact CG1-CD1 4.2Å; V219-I243 HydrophobicContact CG1-CG1 3.76Å; V219-I243 HydrophobicContact CG2-CD1 3.67Å; V219-I243 HydrophobicContact CG2-CG1 4.02Å; V219-V269 HydrophobicContact CB-CB 4.08Å; V219-V269 HydrophobicContact CB-CG2 4.36Å; V219-V269 HydrophobicContact CG2-CB 3.91Å; V219-V269 HydrophobicContact CG2-CG1 4.17Å; V219-V269 HydrophobicContact CG2-CG2 4.11Å; V219-T270 CarbonylContact C-O 3.59Å; V219-T270 WeakPolarHBondContact CA-O 3.3Å; V219-T270 WeakPolarHBondContact CB-O 3.38Å |
| 220 | V | 87 | Confident | 70.3 | Confident | 30 Ų | 30 | 87.8 Ų | 87.8 | 18% | 0.182 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.2 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | L222 D239 E240 V269 T270 A272 | V220-L222 PolarHBondContact O-N 2.96Å; V220-D239 WeakPolarHBondContact CA-O 3.12Å; V220-E240 HydrophobicContact CG2-CG 4.32Å; V220-V269 CarbonylContact O-C 3.59Å; V220-V269 VanDerWaalsContact O-CA 3.25Å; V220-V269 WeakPolarHBondContact O-CA 3.37Å; V220-T270 HydrophobicContact CB-CG2 4.4Å; V220-T270 PolarHBondContact N-O 2.92Å; V220-T270 PolarHBondContact O-N 2.64Å; V220-A272 HydrophobicContact CG2-CB 3.94Å |
| 221 | A | 86.4 | Confident | 72.5 | Confident | 2 Ų | 2 | 87.2 Ų | 87.2 | 2% | 0.017 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 124.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L235 R236 G238 D239 Y241 Y268 V269 | A221-L235 HydrophobicContact CB-CB 3.99Å; A221-L235 HydrophobicContact CB-CD2 4.3Å; A221-R236 VanDerWaalsContact CB-O 3.3Å; A221-R236 WeakPolarHBondContact CB-O 3.09Å; A221-G238 PolarHBondContact O-N 3.38Å; A221-D239 PolarHBondContact N-O 2.91Å; A221-Y241 HydrophobicContact CB-CD2 4.37Å; A221-Y241 HydrophobicContact CB-CE2 3.9Å; A221-Y268 WeakPolarHBondContact CA-O 3.46Å; A221-V269 HydrophobicContact CB-CG1 4.47Å |
| 222 | L | 76.4 | Confident | 75 | Confident | 41 Ų | 41 | 81.7 Ų | 81.7 | 22% | 0.215 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -79.1 | -27.9 | 175.6 | -65.1 | 176.9 | 0 | 0 | 0 | 112.4 | V220 K237 Y268 T270 | V220-L222 PolarHBondContact O-N 2.96Å; L222-K237 WeakPolarHBondContact O-CD 3.38Å; L222-K237 WeakPolarHBondContact O-CE 3.48Å; L222-K237 WeakPolarHBondContact O-CG 3.49Å; L222-Y268 PolarHBondContact N-O 3.45Å; L222-T270 HydrophobicContact CD2-CG2 3.65Å; L222-T270 HydrophobicContact CG-CG2 4.15Å |
| 223 | Y | 75.9 | Confident | 77.7 | Confident | 134 Ų | 134 | 77 Ų | 77 | 53% | 0.525 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -140.8 | 156.4 | -176 | -49.1 | -75 | 0 | 0 | 0 | 110.9 | Y268 | Y223-Y268 HydrophobicContact CD2-CD1 4.25Å; Y223-Y268 HydrophobicContact CD2-CG 4.3Å; Y223-Y268 HydrophobicContact CG-CD1 4.47Å |
| 224 | D | 81.8 | Confident | 80.3 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | trans | -71.1 | 139.3 | 169.3 | -62.2 | -43.3 | 0 | 0 | 0 | 110.3 | L235 R236 K237 | D224-L235 WeakPolarHBondContact CA-O 3.31Å; D224-R236 WeakPolarHBondContact OD1-CA 3.38Å; D224-K237 WeakPolarHBondContact OD1-CB 3.3Å; D224-K237 PolarHBondContact OD1-N 3.17Å | ||
| 225 | Y | 85.9 | Confident | 82.6 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -137.3 | 126 | 175.3 | 173.9 | -101.3 | 0 | 0 | 0 | 110.3 | M228 D232 L233 Q234 L235 W251 P265 Y268 | Y225-M228 HydrophobicContact CE2-CE 4.34Å; Y225-D232 HydrophobicContact CE1-CB 4.12Å; Y225-D232 PolarHBondContact OH-OD2 3.35Å; Y225-L233 WeakPolarHBondContact CD1-O 3.46Å; Y225-Q234 WeakPolarHBondContact O-CA 3.27Å; Y225-Q234 WeakPolarHBondContact O-CG 3.42Å; Y225-L235 PolarHBondContact N-O 3.05Å; Y225-L235 PolarHBondContact O-N 2.7Å; Y225-W251 HydrophobicContact CE1-CZ3 4.29Å; Y225-W251 HydrophobicContact CE2-CH2 4.25Å; Y225-W251 AromaticContact CZ-CH2 3.81Å; Y225-W251 AromaticContact CZ-CZ3 3.97Å; Y225-W251 VanDerWaalsContact OH-CH2 3.3Å; Y225-W251 WeakPolarHBondContact OH-CH2 3.41Å; Y225-P265 HydrophobicContact CD1-CG 4.46Å; Y225-P265 HydrophobicContact CD2-CG 3.95Å; Y225-P265 HydrophobicContact CE1-CG 4.48Å; Y225-P265 HydrophobicContact CE2-CG 3.99Å; Y225-P265 HydrophobicContact CG-CG 4.22Å; Y225-Y268 HydrophobicContact CD2-CE1 4.38Å |
| 226 | M | 86.4 | Confident | 84.3 | Confident | 133 Ų | 133 | 67.1 Ų | 67.1 | 66% | 0.655 | 34% | 0.343 | S | S | * | . | trans | -96.2 | 129.8 | 176.3 | -67.5 | -69 | -98.5 | 0 | 0 | 109.6 | M228 Q234 | M226-M228 PolarHBondContact O-N 3.29Å; M226-Q234 PolarHBondContact SD-NE2 3.36Å | ||
| 227 | P | 87.9 | Confident | 85.1 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 39% | 0.39 | 36% | 0.358 | S | S | . | . | trans | -52.4 | 127.1 | 177.6 | -28.8 | 36.8 | 0 | 0 | 0 | 111.9 | D232 Q234 | P227-D232 HydrophobicContact CB-CB 3.89Å; P227-Q234 HydrophobicContact CG-CB 3.86Å | ||
| 228 | M | 79.8 | Confident | 85 | Confident | 158 Ų | 158 | 70.6 Ų | 70.6 | 78% | 0.778 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -92.2 | -24.6 | 177.3 | -67.1 | -176 | 176.5 | 0 | 0 | 111.9 | Y225 M226 D232 | Y225-M228 HydrophobicContact CE2-CE 4.34Å; M226-M228 PolarHBondContact O-N 3.29Å; M228-D232 WeakPolarHBondContact CA-OD2 3.36Å; M228-D232 WeakPolarHBondContact CB-OD2 3.34Å; M228-D232 PolarHBondContact N-OD2 2.74Å |
| 229 | N | 86 | Confident | 85 | Confident | 77 Ų | 77 | 69 Ų | 69 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -140.3 | 172.2 | 175.1 | 68.9 | 75.8 | 0 | 0 | 0 | 111.3 | N231 D232 | N229-N231 PolarHBondContact O-N 3Å; N229-N231 VanDerWaalsContact O-N 3.15Å; N229-N231 WeakPolarHBondContact OD1-CA 3.31Å; N229-N231 VanDerWaalsContact OD1-CB 3.28Å; N229-N231 WeakPolarHBondContact OD1-CB 3.31Å; N229-N231 PolarHBondContact OD1-N 3.29Å; N229-D232 PolarHBondContact N-OD2 3.32Å; N229-D232 PolarHBondContact ND2-OD1 3.45Å; N229-D232 PolarHBondContact ND2-OD2 3.42Å; N229-D232 PolarHBondContact O-N 2.87Å; N229-D232 VanDerWaalsContact O-N 3.12Å; N229-D232 PolarHBondContact OD1-OD1 3.11Å |
| 230 | A | 82.5 | Confident | 85.2 | Confident | 107 Ų | 107 | 73.1 Ų | 73.1 | 88% | 0.884 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 231 | N | 84.9 | Confident | 85.3 | Confident | 109 Ų | 109 | 72 Ų | 72 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -7.5 | 177.3 | -53.8 | -47.2 | 0 | 0 | 0 | 112.4 | N229 G262 Y263 | N229-N231 PolarHBondContact O-N 3Å; N229-N231 VanDerWaalsContact O-N 3.15Å; N229-N231 WeakPolarHBondContact OD1-CA 3.31Å; N229-N231 VanDerWaalsContact OD1-CB 3.28Å; N229-N231 WeakPolarHBondContact OD1-CB 3.31Å; N229-N231 PolarHBondContact OD1-N 3.29Å; N231-G262 CarbonylContact O-C 3.43Å; N231-G262 VanDerWaalsContact O-CA 3.29Å; N231-G262 WeakPolarHBondContact O-CA 3.43Å; N231-Y263 HydrophobicContact CB-CD2 4.11Å; N231-Y263 WeakPolarHBondContact O-CD2 3.25Å; N231-Y263 PolarHBondContact O-N 3.44Å |
| 232 | D | 89.3 | Confident | 85.6 | Confident | 19 Ų | 19 | 75.3 Ų | 75.3 | 10% | 0.102 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -87.2 | 147.2 | -178.1 | -59.9 | -17.4 | 0 | 0 | 0 | 111.5 | Y225 P227 M228 N229 Y263 | Y225-D232 HydrophobicContact CE1-CB 4.12Å; Y225-D232 PolarHBondContact OH-OD2 3.35Å; P227-D232 HydrophobicContact CB-CB 3.89Å; M228-D232 WeakPolarHBondContact CA-OD2 3.36Å; M228-D232 WeakPolarHBondContact CB-OD2 3.34Å; M228-D232 PolarHBondContact N-OD2 2.74Å; N229-D232 PolarHBondContact N-OD2 3.32Å; N229-D232 PolarHBondContact ND2-OD1 3.45Å; N229-D232 PolarHBondContact ND2-OD2 3.42Å; N229-D232 PolarHBondContact O-N 2.87Å; N229-D232 VanDerWaalsContact O-N 3.12Å; N229-D232 PolarHBondContact OD1-OD1 3.11Å; D232-Y263 CarbonylContact C-O 3.59Å; D232-Y263 WeakPolarHBondContact CA-O 3.48Å |
| 233 | L | 90.9 | Very high | 86.2 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | trans | -105 | 139.3 | 176 | -177.4 | 68.5 | 0 | 0 | 0 | 110.7 | Y225 Y241 A254 D256 Q260 Y263 I264 | Y225-L233 WeakPolarHBondContact CD1-O 3.46Å; L233-Y241 HydrophobicContact CD2-CD1 3.9Å; L233-Y241 HydrophobicContact CD2-CE1 4.14Å; L233-Y241 HydrophobicContact CG-CE1 4.5Å; L233-A254 HydrophobicContact CD2-CB 4.27Å; L233-D256 HydrophobicContact CD1-CB 4.4Å; L233-D256 HydrophobicContact CD2-CB 4.35Å; L233-Q260 HydrophobicContact CD1-CB 4.03Å; L233-Q260 HydrophobicContact CD1-CG 3.82Å; L233-Y263 PolarHBondContact N-O 3.46Å; L233-I264 HydrophobicContact CB-CG2 3.71Å; L233-I264 HydrophobicContact CD2-CG2 4.09Å; L233-I264 HydrophobicContact CG-CG2 4.24Å | ||
| 234 | Q | 91.6 | Very high | 86.7 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | trans | -71.3 | 129.6 | 179 | -174 | 179.3 | 46.3 | 0 | 0 | 110.8 | Y225 M226 P227 Y241 | Y225-Q234 WeakPolarHBondContact O-CA 3.27Å; Y225-Q234 WeakPolarHBondContact O-CG 3.42Å; M226-Q234 PolarHBondContact SD-NE2 3.36Å; P227-Q234 HydrophobicContact CG-CB 3.86Å; Q234-Y241 WeakPolarHBondContact O-CE1 3.4Å; Q234-Y241 PolarHBondContact O-OH 3.18Å | ||
| 235 | L | 90.2 | Very high | 86.7 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -99.7 | 136.4 | 167.2 | -57.2 | 174.9 | 0 | 0 | 0 | 110.9 | A221 D224 Y225 Y241 I264 Y268 V269 | A221-L235 HydrophobicContact CB-CB 3.99Å; A221-L235 HydrophobicContact CB-CD2 4.3Å; D224-L235 WeakPolarHBondContact CA-O 3.31Å; Y225-L235 PolarHBondContact N-O 3.05Å; Y225-L235 PolarHBondContact O-N 2.7Å; L235-Y241 VanDerWaalsContact CA-OH 3.28Å; L235-Y241 WeakPolarHBondContact CA-OH 3.49Å; L235-Y241 HydrophobicContact CD2-CD1 4.04Å; L235-Y241 HydrophobicContact CD2-CD2 3.77Å; L235-Y241 HydrophobicContact CD2-CE1 3.82Å; L235-Y241 HydrophobicContact CD2-CE2 3.57Å; L235-Y241 HydrophobicContact CD2-CG 4.03Å; L235-I264 HydrophobicContact CD1-CB 4.2Å; L235-I264 HydrophobicContact CD2-CB 4.09Å; L235-I264 HydrophobicContact CD2-CD1 4.1Å; L235-I264 HydrophobicContact CD2-CG2 3.65Å; L235-I264 HydrophobicContact CG-CB 4.29Å; L235-I264 HydrophobicContact CG-CG2 4.05Å; L235-Y268 HydrophobicContact CD1-CG 4.45Å; L235-V269 HydrophobicContact CD1-CG1 3.87Å; L235-V269 HydrophobicContact CD2-CG1 4.11Å |
| 236 | R | 87.6 | Confident | 86 | Confident | 139 Ų | 139 | 73.4 Ų | 73.4 | 53% | 0.525 | 38% | 0.383 | S | S | . | . | trans | -116.4 | 127.8 | 167.1 | -63.4 | -179 | -173.9 | -164.3 | 2 | 108.4 | A221 D224 G238 D239 Y241 | A221-R236 VanDerWaalsContact CB-O 3.3Å; A221-R236 WeakPolarHBondContact CB-O 3.09Å; D224-R236 WeakPolarHBondContact OD1-CA 3.38Å; R236-G238 PolarHBondContact O-N 2.93Å; R236-D239 HydrophobicContact CB-CB 4.2Å; R236-D239 WeakPolarHBondContact O-CB 3.37Å; R236-D239 PolarHBondContact O-N 3.24Å; R236-Y241 PolarHBondContact N-OH 2.88Å | ||
| 237 | K | 84.6 | Confident | 84.9 | Confident | 149 Ų | 149 | 69.6 Ų | 69.6 | 65% | 0.648 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 125.7 | -178.7 | -179.2 | 177.5 | -179.6 | -171.3 | 0 | 110.3 | L222 D224 D239 | L222-K237 WeakPolarHBondContact O-CD 3.38Å; L222-K237 WeakPolarHBondContact O-CE 3.48Å; L222-K237 WeakPolarHBondContact O-CG 3.49Å; D224-K237 WeakPolarHBondContact OD1-CB 3.3Å; D224-K237 PolarHBondContact OD1-N 3.17Å; K237-D239 VanDerWaalsContact C-N 3.34Å |
| 238 | G | 76.3 | Confident | 83.5 | Confident | 49 Ų | 49 | 75.2 Ų | 75.2 | 51% | 0.505 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -10 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A221 R236 | A221-G238 PolarHBondContact O-N 3.38Å; R236-G238 PolarHBondContact O-N 2.93Å |
| 239 | D | 86.8 | Confident | 83 | Confident | 43 Ų | 43 | 73 Ų | 73 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | trans | -76.9 | 154.2 | 172.2 | -88.7 | -29.2 | 0 | 0 | 0 | 111.2 | V220 A221 R236 K237 Y241 K257 | V220-D239 WeakPolarHBondContact CA-O 3.12Å; A221-D239 PolarHBondContact N-O 2.91Å; R236-D239 HydrophobicContact CB-CB 4.2Å; R236-D239 WeakPolarHBondContact O-CB 3.37Å; R236-D239 PolarHBondContact O-N 3.24Å; K237-D239 VanDerWaalsContact C-N 3.34Å; D239-Y241 HydrophobicContact CB-CE2 3.82Å; D239-Y241 WeakPolarHBondContact O-CD2 3.33Å; D239-Y241 WeakPolarHBondContact O-CE2 3.47Å; D239-K257 VanDerWaalsContact CG-NZ 3.34Å; D239-K257 IonicContact OD1-NZ 2.83Å; D239-K257 PolarHBondContact OD1-NZ 3.38Å; D239-K257 IonicContact OD2-NZ 3.19Å; D239-K257 PolarHBondContact OD2-NZ 2.95Å | ||
| 240 | E | 90.1 | Very high | 82.7 | Confident | 88 Ų | 88 | 73.2 Ų | 73.2 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 142 | -175.8 | -54.2 | 179.2 | 138.3 | 0 | 0 | 111.6 | K218 V219 V220 | K218-E240 WeakPolarHBondContact CE-OE1 3.01Å; K218-E240 WeakPolarHBondContact CE-OE2 3.33Å; K218-E240 IonicContact NZ-OE1 3.75Å; K218-E240 PolarHBondContact NZ-OE1 3.18Å; K218-E240 IonicContact NZ-OE2 2.83Å; K218-E240 PolarHBondContact NZ-OE2 2.99Å; V219-E240 CarbonylContact O-C 3.45Å; V219-E240 WeakPolarHBondContact O-CA 3.18Å; V220-E240 HydrophobicContact CG2-CG 4.32Å |
| 241 | Y | 90.6 | Very high | 82.7 | Confident | 8 Ų | 8 | 72.8 Ų | 72.8 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152 | -177.8 | -60.4 | -94.5 | 0 | 0 | 0 | 110.4 | K218 V219 A221 L233 Q234 L235 R236 D239 R255 D256 | K218-Y241 WeakPolarHBondContact CA-O 3.38Å; V219-Y241 PolarHBondContact N-O 2.84Å; V219-Y241 PolarHBondContact O-N 3.37Å; A221-Y241 HydrophobicContact CB-CD2 4.37Å; A221-Y241 HydrophobicContact CB-CE2 3.9Å; L233-Y241 HydrophobicContact CD2-CD1 3.9Å; L233-Y241 HydrophobicContact CD2-CE1 4.14Å; L233-Y241 HydrophobicContact CG-CE1 4.5Å; Q234-Y241 WeakPolarHBondContact O-CE1 3.4Å; Q234-Y241 PolarHBondContact O-OH 3.18Å; L235-Y241 VanDerWaalsContact CA-OH 3.28Å; L235-Y241 WeakPolarHBondContact CA-OH 3.49Å; L235-Y241 HydrophobicContact CD2-CD1 4.04Å; L235-Y241 HydrophobicContact CD2-CD2 3.77Å; L235-Y241 HydrophobicContact CD2-CE1 3.82Å; L235-Y241 HydrophobicContact CD2-CE2 3.57Å; L235-Y241 HydrophobicContact CD2-CG 4.03Å; R236-Y241 PolarHBondContact N-OH 2.88Å; D239-Y241 HydrophobicContact CB-CE2 3.82Å; D239-Y241 WeakPolarHBondContact O-CD2 3.33Å; D239-Y241 WeakPolarHBondContact O-CE2 3.47Å; Y241-R255 WeakPolarHBondContact CA-O 3.2Å; Y241-D256 HydrophobicContact CD1-CB 4Å; Y241-D256 HydrophobicContact CE1-CB 3.83Å |
| 242 | F | 91.1 | Very high | 83 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 31% | 0.307 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122 | 178.9 | -62.9 | -83.3 | 0 | 0 | 0 | 110.2 | L216 K218 L244 A254 R255 | L216-F242 HydrophobicContact CB-CB 4.04Å; L216-F242 HydrophobicContact CB-CD1 4.16Å; L216-F242 HydrophobicContact CD1-CB 4.31Å; K218-F242 HydrophobicContact CB-CD1 4.28Å; K218-F242 HydrophobicContact CB-CE1 4.2Å; K218-F242 HydrophobicContact CD-CE1 4.14Å; K218-F242 HydrophobicContact CD-CZ 4.47Å; K218-F242 HydrophobicContact CG-CD1 4.32Å; K218-F242 HydrophobicContact CG-CE1 3.96Å; K218-F242 HydrophobicContact CG-CZ 4.48Å; F242-L244 PolarHBondContact O-N 3.43Å; F242-A254 CarbonylContact O-C 3.57Å; F242-A254 VanDerWaalsContact O-CA 3.24Å; F242-A254 WeakPolarHBondContact O-CA 3.45Å; F242-R255 PolarHBondContact N-O 3.45Å; F242-R255 PolarHBondContact O-N 3.29Å |
| 243 | I | 90.8 | Very high | 82.9 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 122.1 | 178.9 | -54.9 | -55.3 | 0 | 0 | 0 | 109.3 | K217 V219 E246 W252 A254 I264 | K217-I243 HydrophobicContact CB-CB 4.27Å; K217-I243 PolarHBondContact O-N 3.4Å; V219-I243 HydrophobicContact CG1-CD1 4.2Å; V219-I243 HydrophobicContact CG1-CG1 3.76Å; V219-I243 HydrophobicContact CG2-CD1 3.67Å; V219-I243 HydrophobicContact CG2-CG1 4.02Å; I243-E246 HydrophobicContact CG2-CB 4.2Å; I243-W252 HydrophobicContact CD1-CB 4.4Å; I243-W252 HydrophobicContact CD1-CE3 3.95Å; I243-W252 HydrophobicContact CG1-CE3 4.37Å; I243-A254 HydrophobicContact CD1-CB 3.93Å; I243-I264 HydrophobicContact CD1-CD1 4.06Å |
| 244 | L | 86.4 | Confident | 83 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -40.3 | 178.3 | -59.4 | 177.2 | 0 | 0 | 0 | 111.5 | L216 F242 R253 R255 E261 | L216-L244 HydrophobicContact CD1-CD2 3.87Å; L216-L244 HydrophobicContact CD2-CD2 3.86Å; F242-L244 PolarHBondContact O-N 3.43Å; L244-R253 HydrophobicContact CD1-CG 4.42Å; L244-R253 PolarHBondContact N-O 3Å; L244-R255 HydrophobicContact CD1-CB 4.1Å; L244-R255 HydrophobicContact CD2-CB 4.24Å; L244-R255 HydrophobicContact CG-CB 4.2Å; L244-E261 HydrophobicContact CD1-CB 4.33Å; L244-E261 HydrophobicContact CD1-CG 3.75Å; L244-E261 WeakPolarHBondContact CD1-OE1 3.47Å |
| 245 | E | 81.5 | Confident | 83 | Confident | 99 Ų | 99 | 73.5 Ų | 73.5 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 113 | 178.9 | -66 | 171.5 | -145.9 | 0 | 0 | 109.4 | R253 | E245-R253 HydrophobicContact CB-CB 4.1Å; E245-R253 PolarHBondContact N-O 3.22Å; E245-R253 PolarHBondContact O-N 2.96Å; E245-R253 IonicContact OE1-CZ 2.64Å; E245-R253 IonicContact OE1-NH1 2.81Å; E245-R253 PolarHBondContact OE1-NH1 3.16Å |
| 246 | E | 70.1 | Confident | 83.1 | Confident | 114 Ų | 114 | 74.3 Ų | 74.3 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | trans | -91.4 | 111.4 | 172 | -164.4 | 166.8 | -155.7 | 0 | 0 | 108.3 | K217 I243 W252 | K217-E246 IonicContact NZ-OE1 2.67Å; K217-E246 PolarHBondContact NZ-OE1 3.3Å; K217-E246 IonicContact NZ-OE2 3.73Å; K217-E246 PolarHBondContact NZ-OE2 2.85Å; I243-E246 HydrophobicContact CG2-CB 4.2Å; E246-W252 HydrophobicContact CG-CZ2 4.34Å | ||
| 247 | S | 64.6 | Low | 83 | Confident | 53 Ų | 53 | 74 Ų | 74 | 37% | 0.371 | 37% | 0.365 | S | S | . | . | trans | -114 | 156.8 | 175.3 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | L249 W252 | S247-L249 PolarHBondContact O-N 2.71Å; S247-W252 PolarHBondContact O-NE1 2.81Å | ||
| 248 | N | 57.1 | Low | 83 | Confident | 179 Ų | 179 | 73.2 Ų | 73.2 | 96% | 0.957 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -68.9 | 10.4 | 172.4 | -61.8 | -30.7 | 0 | 0 | 0 | 113 | ||
| 249 | L | 70.8 | Confident | 83.4 | Confident | 111 Ų | 111 | 73 Ų | 73 | 58% | 0.581 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -93.3 | 154.7 | -179.9 | -65.3 | 175.7 | 0 | 0 | 0 | 110.4 | S247 W251 W252 | S247-L249 PolarHBondContact O-N 2.71Å; L249-W251 PolarHBondContact O-N 2.82Å; L249-W252 PolarHBondContact O-NE1 2.88Å |
| 250 | P | 79.8 | Confident | 83.4 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -68.7 | -3.3 | -179.4 | 27.5 | -34.3 | 0 | 0 | 0 | 114.3 | P265 S266 | P250-P265 WeakPolarHBondContact O-CA 3.14Å; P250-S266 PolarHBondContact O-N 3.22Å; P250-S266 PolarHBondContact O-OG 2.93Å |
| 251 | W | 82.8 | Confident | 83.6 | Confident | 99 Ų | 99 | 76.2 Ų | 76.2 | 38% | 0.375 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.3 | 178.5 | -67.9 | 92 | 0 | 0 | 0 | 109.7 | Y225 L249 Y263 I264 P265 | Y225-W251 HydrophobicContact CE1-CZ3 4.29Å; Y225-W251 HydrophobicContact CE2-CH2 4.25Å; Y225-W251 AromaticContact CZ-CH2 3.81Å; Y225-W251 AromaticContact CZ-CZ3 3.97Å; Y225-W251 VanDerWaalsContact OH-CH2 3.3Å; Y225-W251 WeakPolarHBondContact OH-CH2 3.41Å; L249-W251 PolarHBondContact O-N 2.82Å; W251-Y263 HydrophobicContact CB-CD1 4.26Å; W251-I264 WeakPolarHBondContact CA-O 3.25Å; W251-P265 HydrophobicContact CE3-CG 4.29Å; W251-P265 HydrophobicContact CH2-CG 3.88Å; W251-P265 HydrophobicContact CZ3-CG 3.73Å |
| 252 | W | 89.5 | Confident | 83.6 | Confident | 44 Ų | 44 | 76.2 Ų | 76.2 | 17% | 0.167 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 144.5 | 177.7 | -67.1 | -13.3 | 0 | 0 | 0 | 110.2 | I243 E246 S247 L249 Y263 I264 V269 | I243-W252 HydrophobicContact CD1-CB 4.4Å; I243-W252 HydrophobicContact CD1-CE3 3.95Å; I243-W252 HydrophobicContact CG1-CE3 4.37Å; E246-W252 HydrophobicContact CG-CZ2 4.34Å; S247-W252 PolarHBondContact O-NE1 2.81Å; L249-W252 PolarHBondContact O-NE1 2.88Å; W252-Y263 CarbonylContact O-C 3.44Å; W252-Y263 VanDerWaalsContact O-CA 3.32Å; W252-Y263 WeakPolarHBondContact O-CA 3.43Å; W252-I264 HydrophobicContact CB-CG1 4.34Å; W252-I264 PolarHBondContact N-O 3.09Å; W252-I264 WeakPolarHBondContact O-CG1 3.23Å; W252-I264 PolarHBondContact O-N 2.95Å; W252-V269 HydrophobicContact CE3-CG2 4.04Å; W252-V269 HydrophobicContact CZ3-CG2 3.97Å |
| 253 | R | 88.9 | Confident | 83.5 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 30% | 0.302 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 119.5 | 174 | -167.8 | 179.3 | 171.4 | -178.7 | -0.1 | 108.5 | L244 E245 E261 Y263 | L244-R253 HydrophobicContact CD1-CG 4.42Å; L244-R253 PolarHBondContact N-O 3Å; E245-R253 HydrophobicContact CB-CB 4.1Å; E245-R253 PolarHBondContact N-O 3.22Å; E245-R253 PolarHBondContact O-N 2.96Å; E245-R253 IonicContact OE1-CZ 2.64Å; E245-R253 IonicContact OE1-NH1 2.81Å; E245-R253 PolarHBondContact OE1-NH1 3.16Å; R253-E261 IonicContact CZ-OE2 3.7Å; R253-E261 IonicContact NE-OE2 3.43Å; R253-E261 IonicContact NH2-OE2 2.76Å; R253-E261 PolarHBondContact NH2-OE2 2.71Å; R253-Y263 HydrophobicContact CB-CD1 4.27Å; R253-Y263 HydrophobicContact CB-CE1 4Å |
| 254 | A | 91.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 164.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L233 F242 I243 E261 G262 I264 | L233-A254 HydrophobicContact CD2-CB 4.27Å; F242-A254 CarbonylContact O-C 3.57Å; F242-A254 VanDerWaalsContact O-CA 3.24Å; F242-A254 WeakPolarHBondContact O-CA 3.45Å; I243-A254 HydrophobicContact CD1-CB 3.93Å; A254-E261 WeakPolarHBondContact O-CA 3.29Å; A254-G262 PolarHBondContact N-O 2.76Å; A254-G262 PolarHBondContact O-N 3.05Å; A254-G262 VanDerWaalsContact O-N 3.07Å; A254-I264 HydrophobicContact CB-CD1 3.47Å; A254-I264 VanDerWaalsContact CB-CD1 3.47Å; A254-I264 HydrophobicContact CB-CG1 3.75Å; A254-I264 HydrophobicContact CB-CG2 4.25Å |
| 255 | R | 92.5 | Very high | 83.4 | Confident | 85 Ų | 85 | 75.3 Ų | 75.3 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.4 | 175.1 | -170.7 | -174.8 | -71.1 | 159.1 | -1.5 | 110 | Y241 F242 L244 Q260 E261 | Y241-R255 WeakPolarHBondContact CA-O 3.2Å; F242-R255 PolarHBondContact N-O 3.45Å; F242-R255 PolarHBondContact O-N 3.29Å; L244-R255 HydrophobicContact CD1-CB 4.1Å; L244-R255 HydrophobicContact CD2-CB 4.24Å; L244-R255 HydrophobicContact CG-CB 4.2Å; R255-Q260 CarbonylContact C-O 3.58Å; R255-Q260 VanDerWaalsContact CA-O 3.3Å; R255-Q260 WeakPolarHBondContact CA-O 3.49Å; R255-E261 HydrophobicContact CB-CG 4.27Å; R255-E261 HydrophobicContact CG-CG 4.06Å; R255-E261 IonicContact CZ-OE1 3.63Å; R255-E261 VanDerWaalsContact CZ-OE1 3.29Å; R255-E261 IonicContact NE-OE1 2.55Å; R255-E261 PolarHBondContact NE-OE1 3.46Å; R255-E261 IonicContact NH2-OE1 2.92Å; R255-E261 PolarHBondContact NH2-OE1 3.39Å |
| 256 | D | 91.5 | Very high | 83.5 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 10% | 0.102 | 36% | 0.362 | C | S | . | . | trans | -80.6 | 177 | 174.3 | 84.4 | -13.8 | 0 | 0 | 0 | 112.4 | L233 Y241 N258 G259 Q260 | L233-D256 HydrophobicContact CD1-CB 4.4Å; L233-D256 HydrophobicContact CD2-CB 4.35Å; Y241-D256 HydrophobicContact CD1-CB 4Å; Y241-D256 HydrophobicContact CE1-CB 3.83Å; D256-N258 PolarHBondContact O-N 3.24Å; D256-N258 VanDerWaalsContact OD1-C 3.28Å; D256-N258 VanDerWaalsContact OD1-CA 3.3Å; D256-N258 WeakPolarHBondContact OD1-CA 3.39Å; D256-N258 WeakPolarHBondContact OD1-CB 3.35Å; D256-N258 PolarHBondContact OD1-N 2.94Å; D256-N258 PolarHBondContact OD2-ND2 2.7Å; D256-G259 PolarHBondContact O-N 3.46Å; D256-G259 VanDerWaalsContact O-N 3.17Å; D256-G259 PolarHBondContact OD1-N 3.41Å; D256-Q260 PolarHBondContact N-O 3.4Å; D256-Q260 WeakPolarHBondContact OD1-CB 3.26Å; D256-Q260 PolarHBondContact OD1-N 2.87Å | ||
| 257 | K | 85.3 | Confident | 84 | Confident | 134 Ų | 134 | 71.6 Ų | 71.6 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.2 | 175.2 | 64.5 | -169.2 | 169.3 | -159.6 | 0 | 114.8 | D239 | D239-K257 VanDerWaalsContact CG-NZ 3.34Å; D239-K257 IonicContact OD1-NZ 2.83Å; D239-K257 PolarHBondContact OD1-NZ 3.38Å; D239-K257 IonicContact OD2-NZ 3.19Å; D239-K257 PolarHBondContact OD2-NZ 2.95Å |
| 258 | N | 84.9 | Confident | 84.7 | Confident | 131 Ų | 131 | 72.8 Ų | 72.8 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -1.2 | 179.1 | -51.7 | -58.3 | 0 | 0 | 0 | 112.4 | D256 | D256-N258 PolarHBondContact O-N 3.24Å; D256-N258 VanDerWaalsContact OD1-C 3.28Å; D256-N258 VanDerWaalsContact OD1-CA 3.3Å; D256-N258 WeakPolarHBondContact OD1-CA 3.39Å; D256-N258 WeakPolarHBondContact OD1-CB 3.35Å; D256-N258 PolarHBondContact OD1-N 2.94Å; D256-N258 PolarHBondContact OD2-ND2 2.7Å |
| 259 | G | 83.7 | Confident | 85.9 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 45% | 0.454 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 84.7 | 6.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D256 | D256-G259 PolarHBondContact O-N 3.46Å; D256-G259 VanDerWaalsContact O-N 3.17Å; D256-G259 PolarHBondContact OD1-N 3.41Å |
| 260 | Q | 88.5 | Confident | 86.2 | Confident | 124 Ų | 124 | 61.1 Ų | 61.1 | 58% | 0.579 | 30% | 0.3 | S | S | * | . | trans | -73.3 | 131.2 | 174.3 | -169.2 | 171 | 36.1 | 0 | 0 | 110.1 | L233 R255 D256 | L233-Q260 HydrophobicContact CD1-CB 4.03Å; L233-Q260 HydrophobicContact CD1-CG 3.82Å; R255-Q260 CarbonylContact C-O 3.58Å; R255-Q260 VanDerWaalsContact CA-O 3.3Å; R255-Q260 WeakPolarHBondContact CA-O 3.49Å; D256-Q260 PolarHBondContact N-O 3.4Å; D256-Q260 WeakPolarHBondContact OD1-CB 3.26Å; D256-Q260 PolarHBondContact OD1-N 2.87Å | ||
| 261 | E | 92.6 | Very high | 86.1 | Confident | 75 Ų | 75 | 62.4 Ų | 62.4 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 147.4 | 179.6 | -57.9 | -173.7 | 175.1 | 0 | 0 | 111.2 | L244 R253 A254 R255 | L244-E261 HydrophobicContact CD1-CB 4.33Å; L244-E261 HydrophobicContact CD1-CG 3.75Å; L244-E261 WeakPolarHBondContact CD1-OE1 3.47Å; R253-E261 IonicContact CZ-OE2 3.7Å; R253-E261 IonicContact NE-OE2 3.43Å; R253-E261 IonicContact NH2-OE2 2.76Å; R253-E261 PolarHBondContact NH2-OE2 2.71Å; A254-E261 WeakPolarHBondContact O-CA 3.29Å; R255-E261 HydrophobicContact CB-CG 4.27Å; R255-E261 HydrophobicContact CG-CG 4.06Å; R255-E261 IonicContact CZ-OE1 3.63Å; R255-E261 VanDerWaalsContact CZ-OE1 3.29Å; R255-E261 IonicContact NE-OE1 2.55Å; R255-E261 PolarHBondContact NE-OE1 3.46Å; R255-E261 IonicContact NH2-OE1 2.92Å; R255-E261 PolarHBondContact NH2-OE1 3.39Å |
| 262 | G | 91.1 | Very high | 85.1 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | -175.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N231 A254 | N231-G262 CarbonylContact O-C 3.43Å; N231-G262 VanDerWaalsContact O-CA 3.29Å; N231-G262 WeakPolarHBondContact O-CA 3.43Å; A254-G262 PolarHBondContact N-O 2.76Å; A254-G262 PolarHBondContact O-N 3.05Å; A254-G262 VanDerWaalsContact O-N 3.07Å |
| 263 | Y | 90.3 | Very high | 83.3 | Confident | 93 Ų | 93 | 65.9 Ų | 65.9 | 37% | 0.365 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 137.1 | 179.5 | -70 | -81.6 | 0 | 0 | 0 | 111.6 | N231 D232 L233 W251 W252 R253 | N231-Y263 HydrophobicContact CB-CD2 4.11Å; N231-Y263 WeakPolarHBondContact O-CD2 3.25Å; N231-Y263 PolarHBondContact O-N 3.44Å; D232-Y263 CarbonylContact C-O 3.59Å; D232-Y263 WeakPolarHBondContact CA-O 3.48Å; L233-Y263 PolarHBondContact N-O 3.46Å; W251-Y263 HydrophobicContact CB-CD1 4.26Å; W252-Y263 CarbonylContact O-C 3.44Å; W252-Y263 VanDerWaalsContact O-CA 3.32Å; W252-Y263 WeakPolarHBondContact O-CA 3.43Å; R253-Y263 HydrophobicContact CB-CD1 4.27Å; R253-Y263 HydrophobicContact CB-CE1 4Å |
| 264 | I | 90.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.9 | 175.7 | 62.3 | 168 | 0 | 0 | 0 | 110 | L233 L235 I243 W251 W252 A254 S266 V269 | L233-I264 HydrophobicContact CB-CG2 3.71Å; L233-I264 HydrophobicContact CD2-CG2 4.09Å; L233-I264 HydrophobicContact CG-CG2 4.24Å; L235-I264 HydrophobicContact CD1-CB 4.2Å; L235-I264 HydrophobicContact CD2-CB 4.09Å; L235-I264 HydrophobicContact CD2-CD1 4.1Å; L235-I264 HydrophobicContact CD2-CG2 3.65Å; L235-I264 HydrophobicContact CG-CB 4.29Å; L235-I264 HydrophobicContact CG-CG2 4.05Å; I243-I264 HydrophobicContact CD1-CD1 4.06Å; W251-I264 WeakPolarHBondContact CA-O 3.25Å; W252-I264 HydrophobicContact CB-CG1 4.34Å; W252-I264 PolarHBondContact N-O 3.09Å; W252-I264 WeakPolarHBondContact O-CG1 3.23Å; W252-I264 PolarHBondContact O-N 2.95Å; A254-I264 HydrophobicContact CB-CD1 3.47Å; A254-I264 VanDerWaalsContact CB-CD1 3.47Å; A254-I264 HydrophobicContact CB-CG1 3.75Å; A254-I264 HydrophobicContact CB-CG2 4.25Å; I264-S266 PolarHBondContact O-N 3.05Å; I264-V269 HydrophobicContact CD1-CG1 3.71Å; I264-V269 HydrophobicContact CD1-CG2 4.12Å |
| 265 | P | 85.4 | Confident | 79.9 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 126.5 | 173 | -14.5 | 27.9 | 0 | 0 | 0 | 110.4 | Y225 P250 W251 N267 Y268 | Y225-P265 HydrophobicContact CD1-CG 4.46Å; Y225-P265 HydrophobicContact CD2-CG 3.95Å; Y225-P265 HydrophobicContact CE1-CG 4.48Å; Y225-P265 HydrophobicContact CE2-CG 3.99Å; Y225-P265 HydrophobicContact CG-CG 4.22Å; P250-P265 WeakPolarHBondContact O-CA 3.14Å; W251-P265 HydrophobicContact CE3-CG 4.29Å; W251-P265 HydrophobicContact CH2-CG 3.88Å; W251-P265 HydrophobicContact CZ3-CG 3.73Å; P265-N267 WeakPolarHBondContact CB-OD1 3.38Å; P265-N267 PolarHBondContact O-N 3.35Å; P265-Y268 HydrophobicContact CB-CD2 3.64Å; P265-Y268 HydrophobicContact CB-CE2 4.27Å; P265-Y268 HydrophobicContact CB-CG 4.06Å; P265-Y268 HydrophobicContact CG-CD2 4.09Å; P265-Y268 HydrophobicContact CG-CG 4.19Å; P265-Y268 WeakPolarHBondContact O-CB 3.48Å; P265-Y268 PolarHBondContact O-N 2.55Å |
| 266 | S | 82.6 | Confident | 78.8 | Confident | 28 Ų | 28 | 69 Ų | 69 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -64.4 | -29.1 | -176.9 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | P250 I264 Y268 V269 | P250-S266 PolarHBondContact O-N 3.22Å; P250-S266 PolarHBondContact O-OG 2.93Å; I264-S266 PolarHBondContact O-N 3.05Å; S266-Y268 PolarHBondContact O-N 2.93Å; S266-V269 WeakPolarHBondContact O-CG2 3.29Å |
| 267 | N | 79.7 | Confident | 77.5 | Confident | 108 Ų | 108 | 72 Ų | 72 | 58% | 0.578 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -77 | -1.6 | 176.6 | 67.8 | -49.6 | 0 | 0 | 0 | 114.2 | P265 | P265-N267 WeakPolarHBondContact CB-OD1 3.38Å; P265-N267 PolarHBondContact O-N 3.35Å |
| 268 | Y | 81 | Confident | 76.2 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -99.6 | -1.3 | 178.1 | -82.2 | -124.5 | 0 | 0 | 0 | 112.6 | A221 L222 Y223 Y225 L235 P265 S266 | A221-Y268 WeakPolarHBondContact CA-O 3.46Å; L222-Y268 PolarHBondContact N-O 3.45Å; Y223-Y268 HydrophobicContact CD2-CD1 4.25Å; Y223-Y268 HydrophobicContact CD2-CG 4.3Å; Y223-Y268 HydrophobicContact CG-CD1 4.47Å; Y225-Y268 HydrophobicContact CD2-CE1 4.38Å; L235-Y268 HydrophobicContact CD1-CG 4.45Å; P265-Y268 HydrophobicContact CB-CD2 3.64Å; P265-Y268 HydrophobicContact CB-CE2 4.27Å; P265-Y268 HydrophobicContact CB-CG 4.06Å; P265-Y268 HydrophobicContact CG-CD2 4.09Å; P265-Y268 HydrophobicContact CG-CG 4.19Å; P265-Y268 WeakPolarHBondContact O-CB 3.48Å; P265-Y268 PolarHBondContact O-N 2.55Å; S266-Y268 PolarHBondContact O-N 2.93Å |
| 269 | V | 80.9 | Confident | 75.5 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 153.9 | -177 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | V219 V220 A221 L235 W252 I264 S266 | V219-V269 HydrophobicContact CB-CB 4.08Å; V219-V269 HydrophobicContact CB-CG2 4.36Å; V219-V269 HydrophobicContact CG2-CB 3.91Å; V219-V269 HydrophobicContact CG2-CG1 4.17Å; V219-V269 HydrophobicContact CG2-CG2 4.11Å; V220-V269 CarbonylContact O-C 3.59Å; V220-V269 VanDerWaalsContact O-CA 3.25Å; V220-V269 WeakPolarHBondContact O-CA 3.37Å; A221-V269 HydrophobicContact CB-CG1 4.47Å; L235-V269 HydrophobicContact CD1-CG1 3.87Å; L235-V269 HydrophobicContact CD2-CG1 4.11Å; W252-V269 HydrophobicContact CE3-CG2 4.04Å; W252-V269 HydrophobicContact CZ3-CG2 3.97Å; I264-V269 HydrophobicContact CD1-CG1 3.71Å; I264-V269 HydrophobicContact CD1-CG2 4.12Å; S266-V269 WeakPolarHBondContact O-CG2 3.29Å |
| 270 | T | 77.8 | Confident | 74.9 | Confident | 31 Ų | 31 | 80.1 Ų | 80.1 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 157.4 | 175.7 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | V219 V220 L222 | V219-T270 CarbonylContact C-O 3.59Å; V219-T270 WeakPolarHBondContact CA-O 3.3Å; V219-T270 WeakPolarHBondContact CB-O 3.38Å; V220-T270 HydrophobicContact CB-CG2 4.4Å; V220-T270 PolarHBondContact N-O 2.92Å; V220-T270 PolarHBondContact O-N 2.64Å; L222-T270 HydrophobicContact CD2-CG2 3.65Å; L222-T270 HydrophobicContact CG-CG2 4.15Å |
| 271 | E | 77.3 | Confident | 74.4 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 137.7 | 175.7 | -67 | -178.7 | -173.9 | 0 | 0 | 110.8 | K217 E273 | K217-E271 WeakPolarHBondContact CE-OE1 3.45Å; K217-E271 IonicContact NZ-OE1 3.61Å; K217-E271 PolarHBondContact NZ-OE1 2.76Å; E271-E273 PolarHBondContact O-N 3.01Å |
| 272 | A | 61.2 | Low | 73.8 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 35% | 0.347 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -71.2 | -8.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K218 V220 | K218-A272 HydrophobicContact CB-CB 4.22Å; K218-A272 HydrophobicContact CD-CB 4.2Å; K218-A272 HydrophobicContact CG-CB 4Å; K218-A272 WeakPolarHBondContact O-CB 3.27Å; K218-A272 PolarHBondContact O-N 3.47Å; K218-A272 VanDerWaalsContact O-N 3.14Å; V220-A272 HydrophobicContact CG2-CB 3.94Å |
| 273 | E | 52.3 | Low | 73.3 | Confident | 174 Ų | 174 | 77.3 Ų | 77.3 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -98.2 | 110.8 | 177.2 | -65.9 | -174.6 | 171.9 | 0 | 0 | 110.1 | E271 S275 | E271-E273 PolarHBondContact O-N 3.01Å; E273-S275 PolarHBondContact O-N 3.16Å |
| 274 | D | 50.9 | Low | 72.6 | Confident | 163 Ų | 163 | 77.2 Ų | 77.2 | 87% | 0.872 | 38% | 0.38 | S | S | * | . | trans | 58.7 | 37.8 | 162.2 | -66 | -31.1 | 0 | 0 | 0 | 118.5 | I276 | D274-I276 PolarHBondContact O-N 3.3Å; D274-I276 VanDerWaalsContact O-N 3.1Å | ||
| 275 | S | 59.2 | Low | 71.9 | Confident | 29 Ų | 29 | 84.9 Ų | 84.9 | 20% | 0.203 | 42% | 0.416 | C | S | . | . | trans | -74.8 | 105 | 166.7 | 93.2 | 0 | 0 | 0 | 0 | 110.2 | E273 E277 M278 | E273-S275 PolarHBondContact O-N 3.16Å; S275-E277 PolarHBondContact O-N 3.31Å; S275-M278 WeakPolarHBondContact O-CB 3.16Å; S275-M278 PolarHBondContact O-N 3.48Å | ||
| 276 | I | 67.9 | Low | 71.8 | Confident | 40 Ų | 40 | 86.7 Ų | 86.7 | 21% | 0.205 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -53.5 | -18.7 | 172.5 | -165.6 | 170.5 | 0 | 0 | 0 | 112.6 | D274 M278 Y279 W281 Y282 | D274-I276 PolarHBondContact O-N 3.3Å; D274-I276 VanDerWaalsContact O-N 3.1Å; I276-M278 PolarHBondContact O-N 3.37Å; I276-Y279 HydrophobicContact CG1-CD2 4.46Å; I276-Y279 PolarHBondContact O-N 3.18Å; I276-W281 HydrophobicContact CD1-CH2 3.95Å; I276-W281 HydrophobicContact CD1-CZ3 3.94Å; I276-W281 HydrophobicContact CG1-CH2 3.73Å; I276-W281 HydrophobicContact CG1-CZ3 3.91Å; I276-Y282 HydrophobicContact CD1-CD2 3.9Å; I276-Y282 HydrophobicContact CD1-CE2 4.22Å; I276-Y282 HydrophobicContact CD1-CG 4.45Å; I276-Y282 HydrophobicContact CG1-CD2 3.96Å; I276-Y282 HydrophobicContact CG1-CE2 4.48Å; I276-Y282 HydrophobicContact CG1-CG 3.99Å; I276-Y282 HydrophobicContact CG2-CD1 4.1Å; I276-Y282 HydrophobicContact CG2-CD2 4.27Å; I276-Y282 HydrophobicContact CG2-CE1 3.85Å; I276-Y282 HydrophobicContact CG2-CE2 4.07Å; I276-Y282 HydrophobicContact CG2-CG 4.28Å; I276-Y282 WeakPolarHBondContact O-CB 3.33Å |
| 277 | E | 65.4 | Low | 71.9 | Confident | 81 Ų | 81 | 88.8 Ų | 88.8 | 38% | 0.379 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -62.7 | -15.9 | 175.6 | -55.4 | -166.4 | 175.3 | 0 | 0 | 114 | S275 Y279 Y282 K284 | S275-E277 PolarHBondContact O-N 3.31Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; E277-Y282 HydrophobicContact CG-CD1 4.39Å; E277-Y282 HydrophobicContact CG-CE1 3.95Å; E277-K284 WeakPolarHBondContact OE1-CD 3.23Å; E277-K284 WeakPolarHBondContact OE1-CE 3.48Å; E277-K284 IonicContact OE1-NZ 2.83Å; E277-K284 PolarHBondContact OE1-NZ 2.92Å |
| 278 | M | 57.7 | Low | 72.1 | Confident | 158 Ų | 158 | 90.6 Ų | 90.6 | 78% | 0.778 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -73 | -24.1 | 175.5 | -172 | 178.3 | -178.5 | 0 | 0 | 113.2 | S275 I276 | S275-M278 WeakPolarHBondContact O-CB 3.16Å; S275-M278 PolarHBondContact O-N 3.48Å; I276-M278 PolarHBondContact O-N 3.37Å |
| 279 | Y | 70.1 | Confident | 72.2 | Confident | 123 Ų | 123 | 90.9 Ų | 90.9 | 48% | 0.482 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -87.2 | 130 | -172.6 | -64.4 | -80.8 | 0 | 0 | 0 | 112.5 | I276 E277 W281 Y282 | I276-Y279 HydrophobicContact CG1-CD2 4.46Å; I276-Y279 PolarHBondContact O-N 3.18Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; Y279-W281 AromaticContact CD1-CE2 3.84Å; Y279-W281 AromaticContact CD1-CZ2 3.81Å; Y279-W281 HydrophobicContact CD1-CZ2 3.81Å; Y279-W281 AromaticContact CD1-NE1 3.53Å; Y279-W281 HydrophobicContact CD2-CH2 4.05Å; Y279-W281 AromaticContact CD2-CZ2 3.62Å; Y279-W281 HydrophobicContact CD2-CZ2 3.62Å; Y279-W281 HydrophobicContact CE1-CZ2 4.41Å; Y279-W281 HydrophobicContact CE2-CZ2 4.26Å; Y279-W281 HydrophobicContact CG-CD2 4.46Å; Y279-W281 AromaticContact CG-CE2 3.55Å; Y279-W281 HydrophobicContact CG-CH2 4.15Å; Y279-W281 AromaticContact CG-CZ2 3.36Å; Y279-W281 HydrophobicContact CG-CZ2 3.36Å; Y279-W281 AromaticContact CG-NE1 3.69Å; Y279-W281 PolarHBondContact O-N 3.33Å; Y279-W281 VanDerWaalsContact O-N 3.12Å; Y279-Y282 PolarHBondContact O-N 3.15Å |
| 280 | E | 70.4 | Confident | 72.4 | Confident | 198 Ų | 198 | 94.9 Ų | 94.9 | 93% | 0.925 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.1 | -179.7 | -62.9 | -173.3 | 156.7 | 0 | 0 | 113.8 | Y282 | E280-Y282 VanDerWaalsContact C-N 3.28Å; E280-Y282 PolarHBondContact O-N 2.91Å |
| 281 | W | 79.1 | Confident | 72.7 | Confident | 89 Ų | 89 | 93.4 Ų | 93.4 | 34% | 0.337 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -9.3 | 177.2 | 51.6 | -106.5 | 0 | 0 | 0 | 113.5 | I276 Y279 F304 V306 | I276-W281 HydrophobicContact CD1-CH2 3.95Å; I276-W281 HydrophobicContact CD1-CZ3 3.94Å; I276-W281 HydrophobicContact CG1-CH2 3.73Å; I276-W281 HydrophobicContact CG1-CZ3 3.91Å; Y279-W281 AromaticContact CD1-CE2 3.84Å; Y279-W281 AromaticContact CD1-CZ2 3.81Å; Y279-W281 HydrophobicContact CD1-CZ2 3.81Å; Y279-W281 AromaticContact CD1-NE1 3.53Å; Y279-W281 HydrophobicContact CD2-CH2 4.05Å; Y279-W281 AromaticContact CD2-CZ2 3.62Å; Y279-W281 HydrophobicContact CD2-CZ2 3.62Å; Y279-W281 HydrophobicContact CE1-CZ2 4.41Å; Y279-W281 HydrophobicContact CE2-CZ2 4.26Å; Y279-W281 HydrophobicContact CG-CD2 4.46Å; Y279-W281 AromaticContact CG-CE2 3.55Å; Y279-W281 HydrophobicContact CG-CH2 4.15Å; Y279-W281 AromaticContact CG-CZ2 3.36Å; Y279-W281 HydrophobicContact CG-CZ2 3.36Å; Y279-W281 AromaticContact CG-NE1 3.69Å; Y279-W281 PolarHBondContact O-N 3.33Å; Y279-W281 VanDerWaalsContact O-N 3.12Å; W281-F304 HydrophobicContact CB-CE2 3.94Å; W281-F304 HydrophobicContact CB-CZ 4.36Å; W281-F304 HydrophobicContact CD2-CE2 4.42Å; W281-F304 HydrophobicContact CG-CE2 4.08Å; W281-F304 HydrophobicContact CG-CZ 4.41Å; W281-V306 HydrophobicContact CD2-CG2 4.42Å; W281-V306 HydrophobicContact CE3-CB 3.62Å; W281-V306 HydrophobicContact CE3-CG2 3.35Å; W281-V306 HydrophobicContact CZ3-CB 3.67Å; W281-V306 HydrophobicContact CZ3-CG1 4.14Å; W281-V306 HydrophobicContact CZ3-CG2 3.52Å; W281-V306 PolarHBondContact O-N 3.47Å |
| 282 | Y | 80.3 | Confident | 73.2 | Confident | 22 Ų | 22 | 90.6 Ų | 90.6 | 9% | 0.086 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.6 | 178.8 | 179.6 | -103 | 0 | 0 | 0 | 111.4 | I276 E277 Y279 E280 K284 V306 D308 Y315 | I276-Y282 HydrophobicContact CD1-CD2 3.9Å; I276-Y282 HydrophobicContact CD1-CE2 4.22Å; I276-Y282 HydrophobicContact CD1-CG 4.45Å; I276-Y282 HydrophobicContact CG1-CD2 3.96Å; I276-Y282 HydrophobicContact CG1-CE2 4.48Å; I276-Y282 HydrophobicContact CG1-CG 3.99Å; I276-Y282 HydrophobicContact CG2-CD1 4.1Å; I276-Y282 HydrophobicContact CG2-CD2 4.27Å; I276-Y282 HydrophobicContact CG2-CE1 3.85Å; I276-Y282 HydrophobicContact CG2-CE2 4.07Å; I276-Y282 HydrophobicContact CG2-CG 4.28Å; I276-Y282 WeakPolarHBondContact O-CB 3.33Å; E277-Y282 HydrophobicContact CG-CD1 4.39Å; E277-Y282 HydrophobicContact CG-CE1 3.95Å; Y279-Y282 PolarHBondContact O-N 3.15Å; E280-Y282 VanDerWaalsContact C-N 3.28Å; E280-Y282 PolarHBondContact O-N 2.91Å; Y282-K284 HydrophobicContact CE1-CB 3.89Å; Y282-K284 HydrophobicContact CE1-CG 4.49Å; Y282-V306 CarbonylContact C-O 3.52Å; Y282-V306 WeakPolarHBondContact CA-O 3.34Å; Y282-V306 HydrophobicContact CD2-CB 4.18Å; Y282-V306 HydrophobicContact CD2-CG1 4.03Å; Y282-D308 PolarHBondContact OH-OD1 3.42Å; Y282-Y315 AromaticContact CE2-CD1 3.82Å; Y282-Y315 HydrophobicContact CE2-CD1 3.82Å; Y282-Y315 AromaticContact CE2-CE1 3.86Å; Y282-Y315 HydrophobicContact CE2-CE1 3.86Å |
| 283 | S | 81.1 | Confident | 74.4 | Confident | 38 Ų | 38 | 95 Ų | 95 | 27% | 0.266 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 97.2 | 178.9 | -67.3 | 0 | 0 | 0 | 0 | 110.8 | H285 M286 V306 R307 | S283-H285 PolarHBondContact O-N 3.38Å; S283-M286 WeakPolarHBondContact O-CB 3.32Å; S283-M286 PolarHBondContact O-N 3.45Å; S283-V306 PolarHBondContact N-O 2.81Å; S283-R307 WeakPolarHBondContact O-CA 3.41Å; S283-R307 WeakPolarHBondContact O-CB 3.37Å |
| 284 | K | 75.6 | Confident | 76 | Confident | 90 Ų | 90 | 90 Ų | 90 | 39% | 0.391 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -51.2 | -175.1 | -167.7 | 173.1 | -169.7 | 164.3 | 0 | 114 | E277 Y282 D308 | E277-K284 WeakPolarHBondContact OE1-CD 3.23Å; E277-K284 WeakPolarHBondContact OE1-CE 3.48Å; E277-K284 IonicContact OE1-NZ 2.83Å; E277-K284 PolarHBondContact OE1-NZ 2.92Å; Y282-K284 HydrophobicContact CE1-CB 3.89Å; Y282-K284 HydrophobicContact CE1-CG 4.49Å; K284-D308 WeakPolarHBondContact CG-OD2 3.32Å; K284-D308 WeakPolarHBondContact O-CB 3.39Å |
| 285 | H | 75.3 | Confident | 77.7 | Confident | 162 Ų | 162 | 82.6 Ų | 82.6 | 75% | 0.75 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 15 | -174.1 | -58.9 | -60.1 | 0 | 0 | 0 | 114.4 | S283 T287 | S283-H285 PolarHBondContact O-N 3.38Å; H285-T287 PolarHBondContact O-N 2.98Å |
| 286 | M | 82.9 | Confident | 78.9 | Confident | 45 Ų | 45 | 86.9 Ų | 86.9 | 22% | 0.222 | 41% | 0.411 | C | S | . | . | trans | -77.9 | 122.3 | -177.6 | -171.8 | 69.8 | 73.3 | 0 | 0 | 111.4 | S283 Q290 A291 L294 I305 R307 | S283-M286 WeakPolarHBondContact O-CB 3.32Å; S283-M286 PolarHBondContact O-N 3.45Å; M286-Q290 HydrophobicContact CG-CB 4.39Å; M286-Q290 HydrophobicContact SD-CB 3.39Å; M286-Q290 WeakPolarHBondContact SD-CB 3.35Å; M286-A291 HydrophobicContact CG-CB 4.13Å; M286-L294 HydrophobicContact CE-CD2 4.14Å; M286-I305 HydrophobicContact CG-CD1 3.87Å; M286-R307 HydrophobicContact CB-CB 4.03Å; M286-R307 WeakPolarHBondContact O-CD 3.46Å | ||
| 287 | T | 84.4 | Confident | 79.7 | Confident | 72 Ų | 72 | 92.3 Ų | 92.3 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | trans | -78.3 | 162.7 | 174.2 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | H285 S289 Q290 A291 | H285-T287 PolarHBondContact O-N 2.98Å; T287-S289 VanDerWaalsContact C-N 3.3Å; T287-S289 PolarHBondContact O-N 3.41Å; T287-Q290 PolarHBondContact O-N 3.41Å; T287-Q290 WeakPolarHBondContact OG1-CB 3.36Å; T287-Q290 VanDerWaalsContact OG1-CD 3.23Å; T287-Q290 VanDerWaalsContact OG1-CG 3.25Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.48Å; T287-Q290 PolarHBondContact OG1-N 3.25Å; T287-Q290 PolarHBondContact OG1-OE1 3.36Å; T287-A291 WeakPolarHBondContact O-CB 3.41Å; T287-A291 PolarHBondContact O-N 3.42Å | ||
| 288 | R | 82.6 | Confident | 80.6 | Confident | 146 Ų | 146 | 93.8 Ų | 93.8 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -54.9 | -45.1 | 175 | -178 | -178 | 170.9 | 168 | 0.7 | 112.4 | A291 E292 | R288-A291 WeakPolarHBondContact O-CB 3.45Å; R288-A291 PolarHBondContact O-N 3.18Å; R288-E292 IonicContact CZ-OE1 2.79Å; R288-E292 IonicContact NE-OE1 3.71Å; R288-E292 PolarHBondContact NE-OE1 2.88Å; R288-E292 IonicContact NH2-OE1 3.99Å; R288-E292 PolarHBondContact NH2-OE1 3.45Å; R288-E292 WeakPolarHBondContact O-CG 3.21Å; R288-E292 PolarHBondContact O-N 2.97Å |
| 289 | S | 83.6 | Confident | 81.6 | Confident | 84 Ų | 84 | 87.5 Ų | 87.5 | 59% | 0.587 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69 | -40.1 | -177 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | T287 E292 Q293 | T287-S289 VanDerWaalsContact C-N 3.3Å; T287-S289 PolarHBondContact O-N 3.41Å; S289-E292 PolarHBondContact O-N 2.79Å; S289-Q293 PolarHBondContact O-N 2.97Å |
| 290 | Q | 84.6 | Confident | 82.1 | Confident | 98 Ų | 98 | 88 Ų | 88 | 46% | 0.458 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 175.4 | -69.6 | 164.9 | -42.5 | 0 | 0 | 111.6 | M286 T287 E292 Q293 L294 | M286-Q290 HydrophobicContact CG-CB 4.39Å; M286-Q290 HydrophobicContact SD-CB 3.39Å; M286-Q290 WeakPolarHBondContact SD-CB 3.35Å; T287-Q290 PolarHBondContact O-N 3.41Å; T287-Q290 WeakPolarHBondContact OG1-CB 3.36Å; T287-Q290 VanDerWaalsContact OG1-CD 3.23Å; T287-Q290 VanDerWaalsContact OG1-CG 3.25Å; T287-Q290 WeakPolarHBondContact OG1-CG 3.48Å; T287-Q290 PolarHBondContact OG1-N 3.25Å; T287-Q290 PolarHBondContact OG1-OE1 3.36Å; Q290-E292 VanDerWaalsContact C-N 3.32Å; Q290-E292 PolarHBondContact O-N 3.34Å; Q290-Q293 PolarHBondContact O-N 3.14Å; Q290-L294 WeakPolarHBondContact O-CB 3.39Å; Q290-L294 PolarHBondContact O-N 3.16Å |
| 291 | A | 85.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | M286 T287 R288 L295 I305 | M286-A291 HydrophobicContact CG-CB 4.13Å; T287-A291 WeakPolarHBondContact O-CB 3.41Å; T287-A291 PolarHBondContact O-N 3.42Å; R288-A291 WeakPolarHBondContact O-CB 3.45Å; R288-A291 PolarHBondContact O-N 3.18Å; A291-L295 WeakPolarHBondContact O-CB 3.34Å; A291-L295 WeakPolarHBondContact O-CG 3.27Å; A291-L295 PolarHBondContact O-N 3.43Å; A291-I305 HydrophobicContact CB-CD1 3.43Å; A291-I305 VanDerWaalsContact CB-CD1 3.43Å; A291-I305 HydrophobicContact CB-CG1 4.23Å |
| 292 | E | 86.8 | Confident | 82.4 | Confident | 48 Ų | 48 | 83.2 Ų | 83.2 | 22% | 0.224 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 178.4 | -72.9 | 175.6 | -172.9 | 0 | 0 | 112.2 | R288 S289 Q290 K296 I331 H333 | R288-E292 IonicContact CZ-OE1 2.79Å; R288-E292 IonicContact NE-OE1 3.71Å; R288-E292 PolarHBondContact NE-OE1 2.88Å; R288-E292 IonicContact NH2-OE1 3.99Å; R288-E292 PolarHBondContact NH2-OE1 3.45Å; R288-E292 WeakPolarHBondContact O-CG 3.21Å; R288-E292 PolarHBondContact O-N 2.97Å; S289-E292 PolarHBondContact O-N 2.79Å; Q290-E292 VanDerWaalsContact C-N 3.32Å; Q290-E292 PolarHBondContact O-N 3.34Å; E292-K296 VanDerWaalsContact O-CB 3.3Å; E292-K296 WeakPolarHBondContact O-CB 3.33Å; E292-K296 WeakPolarHBondContact O-CG 3.29Å; E292-K296 PolarHBondContact O-N 2.89Å; E292-K296 VanDerWaalsContact O-N 3.14Å; E292-I331 HydrophobicContact CB-CD1 3.86Å; E292-I331 HydrophobicContact CG-CB 4.13Å; E292-I331 HydrophobicContact CG-CD1 4.07Å; E292-I331 HydrophobicContact CG-CG2 4.07Å; E292-I331 WeakPolarHBondContact O-CD1 3.41Å; E292-H333 WeakPolarHBondContact CG-NE2 3.36Å; E292-H333 IonicContact OE1-CD2 2.86Å; E292-H333 IonicContact OE1-CE1 3.29Å; E292-H333 IonicContact OE1-NE2 2.69Å; E292-H333 PolarHBondContact OE1-NE2 2.89Å |
| 293 | Q | 86.3 | Confident | 82.6 | Confident | 136 Ų | 136 | 83 Ų | 83 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.9 | -46.5 | 177.2 | -175.5 | 177.2 | -16.2 | 0 | 0 | 111.8 | S289 Q290 K296 Q297 | S289-Q293 PolarHBondContact O-N 2.97Å; Q290-Q293 PolarHBondContact O-N 3.14Å; Q293-K296 PolarHBondContact O-N 3.39Å; Q293-Q297 WeakPolarHBondContact O-CB 3.43Å; Q293-Q297 PolarHBondContact O-N 3.22Å |
| 294 | L | 86.9 | Confident | 82.9 | Confident | 69 Ų | 69 | 86 Ų | 86 | 36% | 0.361 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.6 | -48.2 | -178.7 | -173.8 | 69.3 | 0 | 0 | 0 | 111.7 | M286 Q290 K296 Q297 E298 | M286-L294 HydrophobicContact CE-CD2 4.14Å; Q290-L294 WeakPolarHBondContact O-CB 3.39Å; Q290-L294 PolarHBondContact O-N 3.16Å; L294-K296 VanDerWaalsContact C-N 3.34Å; L294-K296 PolarHBondContact O-N 3.5Å; L294-Q297 WeakPolarHBondContact O-CB 3.39Å; L294-Q297 PolarHBondContact O-N 2.9Å; L294-Q297 VanDerWaalsContact O-N 3.17Å; L294-E298 PolarHBondContact O-N 2.96Å |
| 295 | L | 86.4 | Confident | 83.5 | Confident | 7 Ų | 7 | 82.4 Ų | 82.4 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | 179.8 | -74.4 | 173.2 | 0 | 0 | 0 | 112.5 | A291 G299 I305 S318 F320 I331 | A291-L295 WeakPolarHBondContact O-CB 3.34Å; A291-L295 WeakPolarHBondContact O-CG 3.27Å; A291-L295 PolarHBondContact O-N 3.43Å; L295-G299 PolarHBondContact O-N 3.22Å; L295-G299 VanDerWaalsContact O-N 3.08Å; L295-I305 HydrophobicContact CD1-CG1 4.32Å; L295-I305 HydrophobicContact CD2-CG2 4.26Å; L295-S318 WeakPolarHBondContact CD1-O 3.46Å; L295-F320 HydrophobicContact CB-CB 4.27Å; L295-I331 HydrophobicContact CB-CD1 4.25Å; L295-I331 HydrophobicContact CB-CG1 3.98Å; L295-I331 HydrophobicContact CD1-CG1 4.24Å; L295-I331 HydrophobicContact CD1-CG2 4.08Å |
| 296 | K | 83.8 | Confident | 84.1 | Confident | 119 Ų | 119 | 75.2 Ų | 75.2 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 171.9 | -87.1 | 168.2 | -177.7 | -171 | 0 | 112.6 | E292 Q293 L294 G299 F320 I331 | E292-K296 VanDerWaalsContact O-CB 3.3Å; E292-K296 WeakPolarHBondContact O-CB 3.33Å; E292-K296 WeakPolarHBondContact O-CG 3.29Å; E292-K296 PolarHBondContact O-N 2.89Å; E292-K296 VanDerWaalsContact O-N 3.14Å; Q293-K296 PolarHBondContact O-N 3.39Å; L294-K296 VanDerWaalsContact C-N 3.34Å; L294-K296 PolarHBondContact O-N 3.5Å; K296-G299 PolarHBondContact O-N 3.37Å; K296-F320 HydrophobicContact CG-CE2 4.17Å; K296-I331 HydrophobicContact CD-CD1 3.92Å; K296-I331 HydrophobicContact CG-CD1 3.59Å |
| 297 | Q | 85.9 | Confident | 84.3 | Confident | 154 Ų | 154 | 73.7 Ų | 73.7 | 72% | 0.72 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 178.3 | -175.8 | 179 | 6.6 | 0 | 0 | 111.6 | Q293 L294 | Q293-Q297 WeakPolarHBondContact O-CB 3.43Å; Q293-Q297 PolarHBondContact O-N 3.22Å; L294-Q297 WeakPolarHBondContact O-CB 3.39Å; L294-Q297 PolarHBondContact O-N 2.9Å; L294-Q297 VanDerWaalsContact O-N 3.17Å |
| 298 | E | 84.3 | Confident | 84.2 | Confident | 111 Ų | 111 | 73 Ų | 73 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | 173.9 | -76.6 | -132.2 | 159.3 | 0 | 0 | 112.5 | L294 K300 | L294-E298 PolarHBondContact O-N 2.96Å; E298-K300 PolarHBondContact O-N 2.86Å; E298-K300 IonicContact OE2-NZ 3.65Å |
| 299 | G | 78.8 | Confident | 84 | Confident | 26 Ų | 26 | 66.9 Ų | 66.9 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | trans | 65 | 10.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L295 K296 K322 | L295-G299 PolarHBondContact O-N 3.22Å; L295-G299 VanDerWaalsContact O-N 3.08Å; K296-G299 PolarHBondContact O-N 3.37Å; G299-K322 PolarHBondContact O-NZ 3.12Å | ||
| 300 | K | 79.6 | Confident | 83.3 | Confident | 134 Ų | 134 | 68.8 Ų | 68.8 | 58% | 0.583 | 36% | 0.359 | S | S | * | . | trans | -84.2 | 121.5 | 179.6 | -69.6 | 178.4 | -174.2 | 161.3 | 0 | 111 | E298 G302 G303 F320 | E298-K300 PolarHBondContact O-N 2.86Å; E298-K300 IonicContact OE2-NZ 3.65Å; K300-G302 PolarHBondContact O-N 3.31Å; K300-G303 PolarHBondContact O-N 3.48Å; K300-F320 WeakPolarHBondContact O-CD1 3.31Å | ||
| 301 | E | 79.9 | Confident | 82.4 | Confident | 144 Ų | 144 | 70.9 Ų | 70.9 | 67% | 0.673 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 132.9 | 173.1 | -173.6 | 172 | -173.9 | 0 | 0 | 110.9 | G303 K322 | E301-G303 PolarHBondContact O-N 3.01Å; E301-K322 HydrophobicContact CG-CB 4.41Å |
| 302 | G | 75.6 | Confident | 81.3 | Confident | 43 Ų | 43 | 76 Ų | 76 | 44% | 0.443 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -2.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K300 F304 F320 | K300-G302 PolarHBondContact O-N 3.31Å; G302-F304 PolarHBondContact O-N 3.4Å; G302-F320 PolarHBondContact N-O 3.13Å |
| 303 | G | 84.2 | Confident | 80.3 | Confident | 16 Ų | 16 | 77.4 Ų | 77.4 | 17% | 0.165 | 44% | 0.436 | C | S | . | . | trans | -58.1 | 131.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K300 E301 V319 F320 | K300-G303 PolarHBondContact O-N 3.48Å; E301-G303 PolarHBondContact O-N 3.01Å; G303-V319 CarbonylContact O-C 3.46Å; G303-V319 WeakPolarHBondContact O-CA 3.4Å; G303-F320 PolarHBondContact O-N 3.13Å | ||
| 304 | F | 89.1 | Confident | 79.8 | Confident | 101 Ų | 101 | 74.8 Ų | 74.8 | 44% | 0.443 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.5 | -177 | 73.8 | -85.4 | 0 | 0 | 0 | 112.3 | W281 G302 V306 V317 S318 V319 | W281-F304 HydrophobicContact CB-CE2 3.94Å; W281-F304 HydrophobicContact CB-CZ 4.36Å; W281-F304 HydrophobicContact CD2-CE2 4.42Å; W281-F304 HydrophobicContact CG-CE2 4.08Å; W281-F304 HydrophobicContact CG-CZ 4.41Å; G302-F304 PolarHBondContact O-N 3.4Å; F304-V306 HydrophobicContact CD2-CG2 4.42Å; F304-V306 HydrophobicContact CE2-CG2 4.48Å; F304-V317 HydrophobicContact CB-CG1 4.32Å; F304-V317 HydrophobicContact CD2-CG1 4.29Å; F304-S318 CarbonylContact C-O 3.55Å; F304-S318 WeakPolarHBondContact CA-O 3.41Å; F304-S318 WeakPolarHBondContact CB-O 3.48Å; F304-V319 HydrophobicContact CB-CB 4.48Å; F304-V319 HydrophobicContact CB-CG2 3.98Å |
| 305 | I | 87.4 | Confident | 79.7 | Confident | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.077 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.1 | 168.2 | 68 | 172.8 | 0 | 0 | 0 | 110.1 | M286 A291 L295 V317 S318 | M286-I305 HydrophobicContact CG-CD1 3.87Å; A291-I305 HydrophobicContact CB-CD1 3.43Å; A291-I305 VanDerWaalsContact CB-CD1 3.43Å; A291-I305 HydrophobicContact CB-CG1 4.23Å; L295-I305 HydrophobicContact CD1-CG1 4.32Å; L295-I305 HydrophobicContact CD2-CG2 4.26Å; I305-V317 WeakPolarHBondContact O-CA 3.44Å; I305-S318 PolarHBondContact N-O 3.13Å; I305-S318 PolarHBondContact O-N 3.36Å |
| 306 | V | 87 | Confident | 79.5 | Confident | 12 Ų | 12 | 75 Ų | 75 | 7% | 0.073 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.9 | 173.6 | -172.4 | 0 | 0 | 0 | 0 | 109 | W281 Y282 S283 F304 T316 V317 | W281-V306 HydrophobicContact CD2-CG2 4.42Å; W281-V306 HydrophobicContact CE3-CB 3.62Å; W281-V306 HydrophobicContact CE3-CG2 3.35Å; W281-V306 HydrophobicContact CZ3-CB 3.67Å; W281-V306 HydrophobicContact CZ3-CG1 4.14Å; W281-V306 HydrophobicContact CZ3-CG2 3.52Å; W281-V306 PolarHBondContact O-N 3.47Å; Y282-V306 CarbonylContact C-O 3.52Å; Y282-V306 WeakPolarHBondContact CA-O 3.34Å; Y282-V306 HydrophobicContact CD2-CB 4.18Å; Y282-V306 HydrophobicContact CD2-CG1 4.03Å; S283-V306 PolarHBondContact N-O 2.81Å; F304-V306 HydrophobicContact CD2-CG2 4.42Å; F304-V306 HydrophobicContact CE2-CG2 4.48Å; V306-T316 WeakPolarHBondContact CA-O 3.34Å; V306-V317 HydrophobicContact CG2-CG1 4.44Å; V306-V317 HydrophobicContact CG2-CG2 4.04Å |
| 307 | R | 87.2 | Confident | 79.6 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 5% | 0.045 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 163.3 | -177.3 | 58.7 | 179.7 | 179.2 | 77.1 | 1 | 111.2 | S283 M286 S309 Y315 T316 S318 H333 | S283-R307 WeakPolarHBondContact O-CA 3.41Å; S283-R307 WeakPolarHBondContact O-CB 3.37Å; M286-R307 HydrophobicContact CB-CB 4.03Å; M286-R307 WeakPolarHBondContact O-CD 3.46Å; R307-S309 PolarHBondContact O-N 3.01Å; R307-Y315 CarbonylContact O-C 3.56Å; R307-Y315 WeakPolarHBondContact O-CA 3.42Å; R307-T316 PolarHBondContact N-O 3.27Å; R307-T316 PolarHBondContact O-N 3.25Å; R307-S318 PolarHBondContact NE-OG 3.3Å; R307-H333 PolarHBondContact NH2-ND1 3.31Å |
| 308 | D | 82.8 | Confident | 79.7 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 136.6 | 172.1 | -72.8 | -5.3 | 0 | 0 | 0 | 110.4 | Y282 K284 | Y282-D308 PolarHBondContact OH-OD1 3.42Å; K284-D308 WeakPolarHBondContact CG-OD2 3.32Å; K284-D308 WeakPolarHBondContact O-CB 3.39Å |
| 309 | S | 78.1 | Confident | 79.8 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 13% | 0.133 | 35% | 0.352 | C | S | . | . | trans | -74.6 | 152.9 | 173.6 | -161.5 | 0 | 0 | 0 | 0 | 109.7 | R307 K311 K314 T316 | R307-S309 PolarHBondContact O-N 3.01Å; S309-K311 PolarHBondContact O-N 3.31Å; S309-K314 WeakPolarHBondContact CB-O 3.31Å; S309-K314 PolarHBondContact N-O 3.22Å; S309-T316 WeakPolarHBondContact CA-OG1 3.49Å; S309-T316 WeakPolarHBondContact CB-OG1 3.46Å; S309-T316 PolarHBondContact OG-OG1 2.74Å | ||
| 310 | S | 70.5 | Confident | 80.1 | Confident | 124 Ų | 124 | 58.3 Ų | 58.3 | 87% | 0.867 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -61.9 | -12.5 | 170.3 | -23.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 311 | K | 63.8 | Low | 80 | Confident | 141 Ų | 141 | 53.4 Ų | 53.4 | 61% | 0.613 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -97.4 | 126.2 | 173.7 | -63.2 | -179.3 | -179.6 | 179.6 | 0 | 108.9 | S309 G313 K314 | S309-K311 PolarHBondContact O-N 3.31Å; K311-G313 PolarHBondContact O-N 2.79Å; K311-K314 HydrophobicContact CB-CD 4.49Å; K311-K314 PolarHBondContact O-N 3.09Å |
| 312 | A | 62.8 | Low | 79.8 | Confident | 107 Ų | 107 | 51 Ų | 51 | 88% | 0.884 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 133.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 313 | G | 66.4 | Low | 79.1 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 80% | 0.804 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 18.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | K311 | K311-G313 PolarHBondContact O-N 2.79Š|
| 314 | K | 76.3 | Confident | 77.6 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 35% | 0.352 | 35% | 0.348 | S | S | . | . | trans | -126.8 | 155.1 | 174.7 | -63.8 | -166.5 | 176.8 | -159.9 | 0 | 111.3 | S309 K311 V335 | S309-K314 WeakPolarHBondContact CB-O 3.31Å; S309-K314 PolarHBondContact N-O 3.22Å; K311-K314 HydrophobicContact CB-CD 4.49Å; K311-K314 PolarHBondContact O-N 3.09Å; K314-V335 HydrophobicContact CB-CG1 4.43Å; K314-V335 HydrophobicContact CD-CG1 4.06Å | ||
| 315 | Y | 82.9 | Confident | 75.9 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 164.6 | 173.6 | -52.6 | -75.1 | 0 | 0 | 0 | 111.3 | Y282 R307 V336 | Y282-Y315 AromaticContact CE2-CD1 3.82Å; Y282-Y315 HydrophobicContact CE2-CD1 3.82Å; Y282-Y315 AromaticContact CE2-CE1 3.86Å; Y282-Y315 HydrophobicContact CE2-CE1 3.86Å; R307-Y315 CarbonylContact O-C 3.56Å; R307-Y315 WeakPolarHBondContact O-CA 3.42Å; Y315-V336 PolarHBondContact O-N 3.01Å |
| 316 | T | 83.3 | Confident | 74.5 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 129.2 | 173.8 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | V306 R307 S309 H333 Y334 | V306-T316 WeakPolarHBondContact CA-O 3.34Å; R307-T316 PolarHBondContact N-O 3.27Å; R307-T316 PolarHBondContact O-N 3.25Å; S309-T316 WeakPolarHBondContact CA-OG1 3.49Å; S309-T316 WeakPolarHBondContact CB-OG1 3.46Å; S309-T316 PolarHBondContact OG-OG1 2.74Å; T316-H333 HydrophobicContact CG2-CB 4.11Å; T316-Y334 CarbonylContact C-O 3.54Å; T316-Y334 WeakPolarHBondContact CA-O 3.39Å; T316-Y334 WeakPolarHBondContact CG2-O 3.35Å |
| 317 | V | 86.6 | Confident | 73.3 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 11% | 0.109 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.9 | 170 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | F304 I305 V306 V319 H333 Y334 V336 L346 | F304-V317 HydrophobicContact CB-CG1 4.32Å; F304-V317 HydrophobicContact CD2-CG1 4.29Å; I305-V317 WeakPolarHBondContact O-CA 3.44Å; V306-V317 HydrophobicContact CG2-CG1 4.44Å; V306-V317 HydrophobicContact CG2-CG2 4.04Å; V317-V319 HydrophobicContact CG1-CG2 3.8Å; V317-H333 CarbonylContact O-C 3.6Å; V317-H333 WeakPolarHBondContact O-CA 2.99Å; V317-Y334 PolarHBondContact N-O 3.49Å; V317-Y334 PolarHBondContact O-N 3.08Å; V317-V336 HydrophobicContact CG2-CG2 3.63Å; V317-L346 HydrophobicContact CB-CD2 4.07Å; V317-L346 HydrophobicContact CG2-CD2 3.51Å |
| 318 | S | 86.2 | Confident | 72.3 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.6 | 173.5 | -64.4 | 0 | 0 | 0 | 0 | 108.2 | L295 F304 I305 R307 R332 H333 | L295-S318 WeakPolarHBondContact CD1-O 3.46Å; F304-S318 CarbonylContact C-O 3.55Å; F304-S318 WeakPolarHBondContact CA-O 3.41Å; F304-S318 WeakPolarHBondContact CB-O 3.48Å; I305-S318 PolarHBondContact N-O 3.13Å; I305-S318 PolarHBondContact O-N 3.36Å; R307-S318 PolarHBondContact NE-OG 3.3Å; S318-R332 CarbonylContact C-O 3.59Å; S318-R332 WeakPolarHBondContact CA-O 3.42Å; S318-H333 PolarHBondContact OG-CE1 3.38Å; S318-H333 VanDerWaalsContact OG-CE1 3.22Å; S318-H333 PolarHBondContact OG-ND1 2.94Å |
| 319 | V | 86.7 | Confident | 71.8 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 23% | 0.23 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.8 | -175.3 | -172.8 | 0 | 0 | 0 | 0 | 110 | G303 F304 V317 I331 R332 Y334 | G303-V319 CarbonylContact O-C 3.46Å; G303-V319 WeakPolarHBondContact O-CA 3.4Å; F304-V319 HydrophobicContact CB-CB 4.48Å; F304-V319 HydrophobicContact CB-CG2 3.98Å; V317-V319 HydrophobicContact CG1-CG2 3.8Å; V319-I331 CarbonylContact O-C 3.55Å; V319-I331 VanDerWaalsContact O-CA 3.31Å; V319-I331 WeakPolarHBondContact O-CA 3.39Å; V319-R332 PolarHBondContact N-O 3.32Å; V319-R332 PolarHBondContact O-N 3.25Å; V319-Y334 HydrophobicContact CB-CE2 4.39Å; V319-Y334 HydrophobicContact CG2-CD2 4.14Å; V319-Y334 HydrophobicContact CG2-CE2 4.16Å |
| 320 | F | 85 | Confident | 71.9 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 2% | 0.022 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122 | 172 | -173.1 | -96.3 | 0 | 0 | 0 | 110.6 | L295 K296 K300 G302 G303 K322 I331 | L295-F320 HydrophobicContact CB-CB 4.27Å; K296-F320 HydrophobicContact CG-CE2 4.17Å; K300-F320 WeakPolarHBondContact O-CD1 3.31Å; G302-F320 PolarHBondContact N-O 3.13Å; G303-F320 PolarHBondContact O-N 3.13Å; F320-K322 HydrophobicContact CE1-CD 4.12Å; F320-K322 HydrophobicContact CE1-CG 3.92Å; F320-K322 HydrophobicContact CZ-CG 4.31Å; F320-I331 HydrophobicContact CD2-CD1 4.28Å; F320-I331 HydrophobicContact CD2-CG1 3.97Å |
| 321 | A | 79.1 | Confident | 72.4 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110 | G329 V330 | A321-G329 CarbonylContact O-C 3.42Å; A321-G329 WeakPolarHBondContact O-CA 3.39Å; A321-V330 HydrophobicContact CB-CG1 4.29Å; A321-V330 PolarHBondContact N-O 2.86Å; A321-V330 PolarHBondContact O-N 3.2Å |
| 322 | K | 74.9 | Confident | 73.1 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 41% | 0.409 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 136.8 | 167.2 | -102.3 | 171.4 | 176.3 | 164.7 | 0 | 108.4 | G299 E301 F320 | G299-K322 PolarHBondContact O-NZ 3.12Å; E301-K322 HydrophobicContact CG-CB 4.41Å; F320-K322 HydrophobicContact CE1-CD 4.12Å; F320-K322 HydrophobicContact CE1-CG 3.92Å; F320-K322 HydrophobicContact CZ-CG 4.31Å |
| 323 | S | 61.1 | Low | 73.9 | Confident | 55 Ų | 55 | 60.6 Ų | 60.6 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 148.1 | 170.3 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | G325 D326 | S323-G325 PolarHBondContact O-N 2.86Å; S323-D326 PolarHBondContact O-N 2.85Å |
| 324 | T | 53 | Low | 74.4 | Confident | 161 Ų | 161 | 59.9 Ų | 59.9 | 99% | 0.988 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -15.9 | 178.4 | 43.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 325 | G | 53.1 | Low | 74.4 | Confident | 67 Ų | 67 | 58 Ų | 58 | 69% | 0.691 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -0.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | S323 | S323-G325 PolarHBondContact O-N 2.86Š|
| 326 | D | 58 | Low | 74 | Confident | 71 Ų | 71 | 55.4 Ų | 55.4 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 92.1 | -178.9 | -170.7 | -2.7 | 0 | 0 | 0 | 111.2 | S323 Q328 G329 | S323-D326 PolarHBondContact O-N 2.85Å; D326-Q328 PolarHBondContact O-N 2.94Å; D326-Q328 PolarHBondContact OD1-N 3.45Å; D326-G329 PolarHBondContact O-N 3.17Å |
| 327 | P | 60.9 | Low | 73.3 | Confident | 116 Ų | 116 | 56.3 Ų | 56.3 | 75% | 0.753 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -15.2 | -174.7 | 24.7 | -31.3 | 0 | 0 | 0 | 114 | G329 | P327-G329 VanDerWaalsContact C-N 3.34Å |
| 328 | Q | 66 | Low | 72 | Confident | 168 Ų | 168 | 59.2 Ų | 59.2 | 79% | 0.785 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -20.5 | 176.9 | -90.7 | 178.3 | -0.7 | 0 | 0 | 113.3 | D326 | D326-Q328 PolarHBondContact O-N 2.94Å; D326-Q328 PolarHBondContact OD1-N 3.45Å |
| 329 | G | 72.1 | Confident | 70.5 | Confident | 7 Ų | 7 | 61 Ų | 61 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.9 | 145 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A321 D326 P327 | A321-G329 CarbonylContact O-C 3.42Å; A321-G329 WeakPolarHBondContact O-CA 3.39Å; D326-G329 PolarHBondContact O-N 3.17Å; P327-G329 VanDerWaalsContact C-N 3.34Å |
| 330 | V | 81.6 | Confident | 68.9 | Low | 63 Ų | 63 | 65.8 Ų | 65.8 | 38% | 0.382 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 139 | -177.7 | 68 | 0 | 0 | 0 | 0 | 110.3 | A321 R332 | A321-V330 HydrophobicContact CB-CG1 4.29Å; A321-V330 PolarHBondContact N-O 2.86Å; A321-V330 PolarHBondContact O-N 3.2Å; V330-R332 HydrophobicContact CG1-CG 4.42Å |
| 331 | I | 81.3 | Confident | 67.5 | Low | 17 Ų | 17 | 72.6 Ų | 72.6 | 9% | 0.087 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.1 | 168.9 | -67.1 | 119 | 0 | 0 | 0 | 109.6 | E292 L295 K296 V319 F320 | E292-I331 HydrophobicContact CB-CD1 3.86Å; E292-I331 HydrophobicContact CG-CB 4.13Å; E292-I331 HydrophobicContact CG-CD1 4.07Å; E292-I331 HydrophobicContact CG-CG2 4.07Å; E292-I331 WeakPolarHBondContact O-CD1 3.41Å; L295-I331 HydrophobicContact CB-CD1 4.25Å; L295-I331 HydrophobicContact CB-CG1 3.98Å; L295-I331 HydrophobicContact CD1-CG1 4.24Å; L295-I331 HydrophobicContact CD1-CG2 4.08Å; K296-I331 HydrophobicContact CD-CD1 3.92Å; K296-I331 HydrophobicContact CG-CD1 3.59Å; V319-I331 CarbonylContact O-C 3.55Å; V319-I331 VanDerWaalsContact O-CA 3.31Å; V319-I331 WeakPolarHBondContact O-CA 3.39Å; F320-I331 HydrophobicContact CD2-CD1 4.28Å; F320-I331 HydrophobicContact CD2-CG1 3.97Å |
| 332 | R | 78.6 | Confident | 66.5 | Low | 79 Ų | 79 | 75.8 Ų | 75.8 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.2 | 173.3 | -62.2 | -174.1 | 179.5 | -102.5 | 2.5 | 109.3 | S318 V319 V330 Y334 L417 G418 | S318-R332 CarbonylContact C-O 3.59Å; S318-R332 WeakPolarHBondContact CA-O 3.42Å; V319-R332 PolarHBondContact N-O 3.32Å; V319-R332 PolarHBondContact O-N 3.25Å; V330-R332 HydrophobicContact CG1-CG 4.42Å; R332-Y334 HydrophobicContact CB-CD2 4.41Å; R332-Y334 HydrophobicContact CB-CE2 3.51Å; R332-Y334 WeakPolarHBondContact CD-OH 3.12Å; R332-L417 PolarHBondContact NH2-O 3.26Å; R332-G418 VanDerWaalsContact CZ-O 3.31Å; R332-G418 PolarHBondContact NH1-O 3.2Å; R332-G418 PolarHBondContact NH2-O 3.32Å |
| 333 | H | 79.1 | Confident | 65.7 | Low | 45 Ų | 45 | 75.7 Ų | 75.7 | 21% | 0.208 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122 | -179.3 | -61.1 | -95.3 | 0 | 0 | 0 | 109.3 | E292 R307 T316 V317 S318 | E292-H333 WeakPolarHBondContact CG-NE2 3.36Å; E292-H333 IonicContact OE1-CD2 2.86Å; E292-H333 IonicContact OE1-CE1 3.29Å; E292-H333 IonicContact OE1-NE2 2.69Å; E292-H333 PolarHBondContact OE1-NE2 2.89Å; R307-H333 PolarHBondContact NH2-ND1 3.31Å; T316-H333 HydrophobicContact CG2-CB 4.11Å; V317-H333 CarbonylContact O-C 3.6Å; V317-H333 WeakPolarHBondContact O-CA 2.99Å; S318-H333 PolarHBondContact OG-CE1 3.38Å; S318-H333 VanDerWaalsContact OG-CE1 3.22Å; S318-H333 PolarHBondContact OG-ND1 2.94Å |
| 334 | Y | 75.9 | Confident | 65.8 | Low | 63 Ų | 63 | 80 Ų | 80 | 25% | 0.247 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124 | -178.5 | -58 | -85.7 | 0 | 0 | 0 | 109.2 | T316 V317 V319 R332 A348 | T316-Y334 CarbonylContact C-O 3.54Å; T316-Y334 WeakPolarHBondContact CA-O 3.39Å; T316-Y334 WeakPolarHBondContact CG2-O 3.35Å; V317-Y334 PolarHBondContact N-O 3.49Å; V317-Y334 PolarHBondContact O-N 3.08Å; V319-Y334 HydrophobicContact CB-CE2 4.39Å; V319-Y334 HydrophobicContact CG2-CD2 4.14Å; V319-Y334 HydrophobicContact CG2-CE2 4.16Å; R332-Y334 HydrophobicContact CB-CD2 4.41Å; R332-Y334 HydrophobicContact CB-CE2 3.51Å; R332-Y334 WeakPolarHBondContact CD-OH 3.12Å; Y334-A348 HydrophobicContact CD1-CB 4.36Å; Y334-A348 HydrophobicContact CE1-CB 4.21Å |
| 335 | V | 76.9 | Confident | 66.1 | Low | 42 Ų | 42 | 72.9 Ų | 72.9 | 26% | 0.255 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 132.1 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | K314 A347 | K314-V335 HydrophobicContact CB-CG1 4.43Å; K314-V335 HydrophobicContact CD-CG1 4.06Å; V335-A347 HydrophobicContact CB-CB 4.23Å; V335-A347 WeakPolarHBondContact O-CB 3.15Å; V335-A347 PolarHBondContact O-N 3.37Å |
| 336 | V | 74.9 | Confident | 66 | Low | 20 Ų | 20 | 73 Ų | 73 | 12% | 0.121 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 119.4 | 171.4 | -174 | 0 | 0 | 0 | 0 | 108.2 | Y315 V317 Y344 Y345 L346 | Y315-V336 PolarHBondContact O-N 3.01Å; V317-V336 HydrophobicContact CG2-CG2 3.63Å; V336-Y344 HydrophobicContact CG1-CD1 3.91Å; V336-Y344 HydrophobicContact CG1-CG 4.5Å; V336-Y345 WeakPolarHBondContact CA-O 3.37Å; V336-L346 HydrophobicContact CG2-CD2 4.08Å |
| 337 | C | 68.8 | Low | 65.5 | Low | 24 Ų | 24 | 70.3 Ų | 70.3 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.1 | 173.9 | -71.1 | 0 | 0 | 0 | 0 | 109.4 | Y344 Y345 L352 | C337-Y344 CarbonylContact O-C 3.58Å; C337-Y344 WeakPolarHBondContact O-CA 3.39Å; C337-Y345 PolarHBondContact N-O 3.32Å; C337-Y345 PolarHBondContact O-N 3.17Å; C337-L352 HydrophobicContact CB-CD2 4.04Å |
| 338 | S | 58.7 | Low | 65.2 | Low | 79 Ų | 79 | 67.1 Ų | 67.1 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142 | 170.3 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | Q343 | S338-Q343 CarbonylContact C-O 3.54Å; S338-Q343 VanDerWaalsContact CA-O 3.29Å; S338-Q343 WeakPolarHBondContact CA-O 3.4Å |
| 339 | T | 55.7 | Low | 65 | Low | 36 Ų | 36 | 66.5 Ų | 66.5 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | trans | -86.8 | 162.6 | 170.2 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | Q341 S342 Q343 Y345 | T339-Q341 PolarHBondContact O-N 3.24Å; T339-Q341 PolarHBondContact OG1-N 3.03Å; T339-S342 PolarHBondContact O-N 3.41Å; T339-Q343 PolarHBondContact N-O 3.46Å; T339-Q343 WeakPolarHBondContact OG1-CB 3.36Å; T339-Q343 PolarHBondContact OG1-N 3.49Å; T339-Y345 HydrophobicContact CG2-CD2 3.79Å; T339-Y345 HydrophobicContact CG2-CE2 3.31Å | ||
| 340 | P | 52.8 | Low | 64.8 | Low | 139 Ų | 139 | 70.3 Ų | 70.3 | 90% | 0.903 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -9.7 | 169.8 | -23.9 | 34.6 | 0 | 0 | 0 | 114.6 | ||
| 341 | Q | 54.2 | Low | 64.5 | Low | 149 Ų | 149 | 68.1 Ų | 68.1 | 70% | 0.696 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 17.5 | 177.7 | -63.7 | 143.1 | -4.1 | 0 | 0 | 111.7 | T339 Q343 | T339-Q341 PolarHBondContact O-N 3.24Å; T339-Q341 PolarHBondContact OG1-N 3.03Å; Q341-Q343 VanDerWaalsContact C-N 3.27Å; Q341-Q343 PolarHBondContact O-N 2.95Å |
| 342 | S | 59.9 | Low | 64 | Low | 97 Ų | 97 | 68.5 Ų | 68.5 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 59.7 | 28.8 | 179.6 | -54.8 | 0 | 0 | 0 | 0 | 115.2 | T339 | T339-S342 PolarHBondContact O-N 3.41Š|
| 343 | Q | 56.7 | Low | 63.8 | Low | 91 Ų | 91 | 67.3 Ų | 67.3 | 43% | 0.425 | 36% | 0.362 | S | S | . | . | trans | -97.1 | 139.4 | 171.9 | -65.6 | -178.7 | -20.3 | 0 | 0 | 110.9 | S338 T339 Q341 Y345 | S338-Q343 CarbonylContact C-O 3.54Å; S338-Q343 VanDerWaalsContact CA-O 3.29Å; S338-Q343 WeakPolarHBondContact CA-O 3.4Å; T339-Q343 PolarHBondContact N-O 3.46Å; T339-Q343 WeakPolarHBondContact OG1-CB 3.36Å; T339-Q343 PolarHBondContact OG1-N 3.49Å; Q341-Q343 VanDerWaalsContact C-N 3.27Å; Q341-Q343 PolarHBondContact O-N 2.95Å; Q343-Y345 HydrophobicContact CB-CD2 4.43Å; Q343-Y345 HydrophobicContact CB-CE2 3.65Å; Q343-Y345 PolarHBondContact OE1-OH 2.9Å | ||
| 344 | Y | 63.7 | Low | 63.4 | Low | 147 Ų | 147 | 66.4 Ų | 66.4 | 58% | 0.576 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 141 | -179.9 | -59.5 | -82.9 | 0 | 0 | 0 | 112 | V336 C337 | V336-Y344 HydrophobicContact CG1-CD1 3.91Å; V336-Y344 HydrophobicContact CG1-CG 4.5Å; C337-Y344 CarbonylContact O-C 3.58Å; C337-Y344 WeakPolarHBondContact O-CA 3.39Å |
| 345 | Y | 59.1 | Low | 63.1 | Low | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.039 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.5 | -178 | -66.6 | -103.5 | 0 | 0 | 0 | 110.7 | V336 C337 T339 Q343 L352 V353 N354 K360 | V336-Y345 WeakPolarHBondContact CA-O 3.37Å; C337-Y345 PolarHBondContact N-O 3.32Å; C337-Y345 PolarHBondContact O-N 3.17Å; T339-Y345 HydrophobicContact CG2-CD2 3.79Å; T339-Y345 HydrophobicContact CG2-CE2 3.31Å; Q343-Y345 HydrophobicContact CB-CD2 4.43Å; Q343-Y345 HydrophobicContact CB-CE2 3.65Å; Q343-Y345 PolarHBondContact OE1-OH 2.9Å; Y345-L352 HydrophobicContact CD1-CB 3.92Å; Y345-L352 HydrophobicContact CG-CB 4.23Å; Y345-L352 HydrophobicContact CG-CD1 4.45Å; Y345-V353 WeakPolarHBondContact CA-O 3.23Å; Y345-N354 HydrophobicContact CD1-CB 3.75Å; Y345-N354 HydrophobicContact CE1-CB 3.54Å; Y345-K360 HydrophobicContact CE1-CD 3.99Å; Y345-K360 PolarHBondContact OH-NZ 3.29Å; Y345-K360 VanDerWaalsContact OH-NZ 3.09Å |
| 346 | L | 52.2 | Low | 62.6 | Low | 70 Ų | 70 | 74.6 Ų | 74.6 | 37% | 0.366 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.4 | 172.2 | -69.1 | 176.3 | 0 | 0 | 0 | 111.1 | V317 V336 L352 V353 | V317-L346 HydrophobicContact CB-CD2 4.07Å; V317-L346 HydrophobicContact CG2-CD2 3.51Å; V336-L346 HydrophobicContact CG2-CD2 4.08Å; L346-L352 CarbonylContact O-C 3.45Å; L346-L352 VanDerWaalsContact O-CA 3.28Å; L346-L352 WeakPolarHBondContact O-CA 3.49Å; L346-V353 PolarHBondContact N-O 3.04Å; L346-V353 PolarHBondContact O-N 2.83Å |
| 347 | A | 47.1 | Very low | 62.3 | Low | 15 Ų | 15 | 76.1 Ų | 76.1 | 12% | 0.124 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V335 C351 L352 | V335-A347 HydrophobicContact CB-CB 4.23Å; V335-A347 WeakPolarHBondContact O-CB 3.15Å; V335-A347 PolarHBondContact O-N 3.37Å; A347-C351 CarbonylContact C-O 3.53Å; A347-C351 WeakPolarHBondContact CA-O 3.45Å; A347-L352 HydrophobicContact CB-CD2 3.6Å |
| 348 | A | 54.4 | Low | 62.5 | Low | 48 Ų | 48 | 78.3 Ų | 78.3 | 40% | 0.397 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 107.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y334 N350 C351 | Y334-A348 HydrophobicContact CD1-CB 4.36Å; Y334-A348 HydrophobicContact CE1-CB 4.21Å; A348-N350 VanDerWaalsContact C-N 3.29Å; A348-N350 PolarHBondContact O-N 3.12Å; A348-C351 PolarHBondContact N-O 3.31Å; A348-C351 PolarHBondContact O-N 3.33Å |
| 349 | R | 61.4 | Low | 63.2 | Low | 156 Ų | 156 | 79 Ų | 79 | 59% | 0.589 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.3 | -73.6 | -175 | -92.9 | -177.6 | 160.7 | -136.3 | 0.2 | 116 | W387 | R349-W387 VanDerWaalsContact NH1-CE3 3.3Š|
| 350 | N | 68.8 | Low | 64.1 | Low | 87 Ų | 87 | 81.9 Ų | 81.9 | 47% | 0.465 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | 21.1 | 177.6 | -62.8 | -31.7 | 0 | 0 | 0 | 113.3 | A348 S362 | A348-N350 VanDerWaalsContact C-N 3.29Å; A348-N350 PolarHBondContact O-N 3.12Å; N350-S362 VanDerWaalsContact C-OG 3.3Å; N350-S362 PolarHBondContact O-N 3.26Å; N350-S362 VanDerWaalsContact O-O 3.09Å; N350-S362 PolarHBondContact O-OG 2.99Å |
| 351 | C | 74.2 | Confident | 65 | Low | 16 Ų | 16 | 79.3 Ų | 79.3 | 11% | 0.108 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.7 | 174.1 | -71.8 | 0 | 0 | 0 | 0 | 109.7 | A347 A348 V359 K360 | A347-C351 CarbonylContact C-O 3.53Å; A347-C351 WeakPolarHBondContact CA-O 3.45Å; A348-C351 PolarHBondContact N-O 3.31Å; A348-C351 PolarHBondContact O-N 3.33Å; C351-V359 HydrophobicContact CB-CG1 4.03Å; C351-K360 CarbonylContact C-O 3.52Å; C351-K360 WeakPolarHBondContact CA-O 3.13Å |
| 352 | L | 71.6 | Confident | 65.5 | Low | 26 Ų | 26 | 72.8 Ų | 72.8 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.4 | 179.4 | -73 | 173.6 | 0 | 0 | 0 | 109.4 | C337 Y345 L346 A347 V359 K360 S362 | C337-L352 HydrophobicContact CB-CD2 4.04Å; Y345-L352 HydrophobicContact CD1-CB 3.92Å; Y345-L352 HydrophobicContact CG-CB 4.23Å; Y345-L352 HydrophobicContact CG-CD1 4.45Å; L346-L352 CarbonylContact O-C 3.45Å; L346-L352 VanDerWaalsContact O-CA 3.28Å; L346-L352 WeakPolarHBondContact O-CA 3.49Å; A347-L352 HydrophobicContact CB-CD2 3.6Å; L352-V359 CarbonylContact O-C 3.39Å; L352-V359 VanDerWaalsContact O-CA 3.32Å; L352-V359 WeakPolarHBondContact O-CA 3.43Å; L352-K360 PolarHBondContact N-O 2.88Å; L352-K360 PolarHBondContact O-N 3.4Å; L352-S362 VanDerWaalsContact CD1-CB 3.48Å |
| 353 | V | 73.3 | Confident | 65.4 | Low | 54 Ų | 54 | 73.6 Ų | 73.6 | 33% | 0.327 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.7 | 172.8 | -167.1 | 0 | 0 | 0 | 0 | 108.7 | Y345 L346 V358 V359 | Y345-V353 WeakPolarHBondContact CA-O 3.23Å; L346-V353 PolarHBondContact N-O 3.04Å; L346-V353 PolarHBondContact O-N 2.83Å; V353-V358 WeakPolarHBondContact CA-O 3.36Å; V353-V359 HydrophobicContact CG2-CG2 4.13Å |
| 354 | N | 71.1 | Confident | 65.5 | Low | 26 Ų | 26 | 75.5 Ų | 75.5 | 14% | 0.139 | 40% | 0.399 | C | S | . | . | trans | -90.5 | 177.7 | 172.9 | 72.1 | -5.3 | 0 | 0 | 0 | 112.4 | Y345 Q356 G357 V358 | Y345-N354 HydrophobicContact CD1-CB 3.75Å; Y345-N354 HydrophobicContact CE1-CB 3.54Å; N354-Q356 PolarHBondContact O-N 2.83Å; N354-Q356 PolarHBondContact OD1-N 2.98Å; N354-G357 PolarHBondContact O-N 3.14Å; N354-G357 PolarHBondContact OD1-N 3.2Å; N354-V358 PolarHBondContact N-O 2.96Å; N354-V358 VanDerWaalsContact N-O 3.17Å; N354-V358 WeakPolarHBondContact OD1-CA 3.35Å; N354-V358 VanDerWaalsContact OD1-CB 3.25Å; N354-V358 WeakPolarHBondContact OD1-CB 3.37Å; N354-V358 PolarHBondContact OD1-N 3.33Å; N354-V358 PolarHBondContact OD1-O 3.37Å | ||
| 355 | D | 69.3 | Low | 64.6 | Low | 134 Ų | 134 | 72.1 Ų | 72.1 | 72% | 0.717 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29.9 | 175.5 | 64 | -38 | 0 | 0 | 0 | 114.1 | G357 | D355-G357 VanDerWaalsContact C-N 3.27Å; D355-G357 PolarHBondContact O-N 3.16Å |
| 356 | Q | 66.4 | Low | 63.8 | Low | 143 Ų | 143 | 75.9 Ų | 75.9 | 67% | 0.668 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 6.7 | 176.6 | -54.6 | -56.2 | -49.3 | 0 | 0 | 113.5 | N354 V358 | N354-Q356 PolarHBondContact O-N 2.83Å; N354-Q356 PolarHBondContact OD1-N 2.98Å; Q356-V358 HydrophobicContact CB-CG2 4.22Å; Q356-V358 PolarHBondContact O-N 3.14Å |
| 357 | G | 69 | Low | 63.2 | Low | 51 Ų | 51 | 74.5 Ų | 74.5 | 53% | 0.526 | 43% | 0.426 | S | S | . | . | trans | 73.4 | 8.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N354 D355 V359 | N354-G357 PolarHBondContact O-N 3.14Å; N354-G357 PolarHBondContact OD1-N 3.2Å; D355-G357 VanDerWaalsContact C-N 3.27Å; D355-G357 PolarHBondContact O-N 3.16Å; G357-V359 PolarHBondContact O-N 3.2Å | ||
| 358 | V | 72 | Confident | 63 | Low | 70 Ų | 70 | 78.9 Ų | 78.9 | 42% | 0.424 | 44% | 0.439 | S | S | . | . | trans | -75.3 | 120.9 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | V353 N354 Q356 K360 | V353-V358 WeakPolarHBondContact CA-O 3.36Å; N354-V358 PolarHBondContact N-O 2.96Å; N354-V358 VanDerWaalsContact N-O 3.17Å; N354-V358 WeakPolarHBondContact OD1-CA 3.35Å; N354-V358 VanDerWaalsContact OD1-CB 3.25Å; N354-V358 WeakPolarHBondContact OD1-CB 3.37Å; N354-V358 PolarHBondContact OD1-N 3.33Å; N354-V358 PolarHBondContact OD1-O 3.37Å; Q356-V358 HydrophobicContact CB-CG2 4.22Å; Q356-V358 PolarHBondContact O-N 3.14Å; V358-K360 HydrophobicContact CG1-CG 4.37Å | ||
| 359 | V | 75.1 | Confident | 62.3 | Low | 94 Ų | 94 | 83.9 Ų | 83.9 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129.7 | 175.2 | -171.3 | 0 | 0 | 0 | 0 | 110 | C351 L352 V353 G357 | C351-V359 HydrophobicContact CB-CG1 4.03Å; L352-V359 CarbonylContact O-C 3.39Å; L352-V359 VanDerWaalsContact O-CA 3.32Å; L352-V359 WeakPolarHBondContact O-CA 3.43Å; V353-V359 HydrophobicContact CG2-CG2 4.13Å; G357-V359 PolarHBondContact O-N 3.2Å |
| 360 | K | 73.3 | Confident | 61 | Low | 97 Ų | 97 | 78.8 Ų | 78.8 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.5 | 174.1 | -63.9 | -174.4 | -177.8 | 172.2 | 0 | 109.8 | Y345 C351 L352 V358 | Y345-K360 HydrophobicContact CE1-CD 3.99Å; Y345-K360 PolarHBondContact OH-NZ 3.29Å; Y345-K360 VanDerWaalsContact OH-NZ 3.09Å; C351-K360 CarbonylContact C-O 3.52Å; C351-K360 WeakPolarHBondContact CA-O 3.13Å; L352-K360 PolarHBondContact N-O 2.88Å; L352-K360 PolarHBondContact O-N 3.4Å; V358-K360 HydrophobicContact CG1-CG 4.37Å |
| 361 | V | 72.6 | Confident | 59.6 | Low | 84 Ų | 84 | 79.1 Ų | 79.1 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 137.9 | 173.2 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | F364 | V361-F364 HydrophobicContact CB-CE1 3.92Å; V361-F364 HydrophobicContact CB-CZ 3.72Å; V361-F364 HydrophobicContact CG1-CD1 4.22Å; V361-F364 HydrophobicContact CG1-CE1 3.58Å; V361-F364 HydrophobicContact CG1-CZ 3.8Å; V361-F364 WeakPolarHBondContact O-CE2 3.38Å |
| 362 | S | 63.9 | Low | 57.7 | Low | 12 Ų | 12 | 82.7 Ų | 82.7 | 8% | 0.084 | 45% | 0.454 | C | S | . | . | trans | -125.7 | 169.9 | 176.2 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | N350 L352 F364 | N350-S362 VanDerWaalsContact C-OG 3.3Å; N350-S362 PolarHBondContact O-N 3.26Å; N350-S362 VanDerWaalsContact O-O 3.09Å; N350-S362 PolarHBondContact O-OG 2.99Å; L352-S362 VanDerWaalsContact CD1-CB 3.48Å; S362-F364 PolarHBondContact O-N 3.25Å | ||
| 363 | D | 58.8 | Low | 56.2 | Low | 115 Ų | 115 | 86.1 Ų | 86.1 | 62% | 0.615 | 47% | 0.472 | S | S | * | . | trans | 54.9 | 47.2 | 176 | -66.4 | -25.7 | 0 | 0 | 0 | 113.9 | G365 | D363-G365 PolarHBondContact O-N 2.99Š| ||
| 364 | F | 57.5 | Low | 54.6 | Low | 130 Ų | 130 | 88.4 Ų | 88.4 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -58.4 | 5.6 | 162.7 | -52.1 | -82.6 | 0 | 0 | 0 | 113.4 | V361 S362 L366 S367 | V361-F364 HydrophobicContact CB-CE1 3.92Å; V361-F364 HydrophobicContact CB-CZ 3.72Å; V361-F364 HydrophobicContact CG1-CD1 4.22Å; V361-F364 HydrophobicContact CG1-CE1 3.58Å; V361-F364 HydrophobicContact CG1-CZ 3.8Å; V361-F364 WeakPolarHBondContact O-CE2 3.38Å; S362-F364 PolarHBondContact O-N 3.25Å; F364-L366 VanDerWaalsContact C-N 3.29Å; F364-L366 PolarHBondContact O-N 3.37Å; F364-S367 PolarHBondContact O-N 3.4Å; F364-S367 PolarHBondContact O-OG 3.35Å |
| 365 | G | 45.9 | Very low | 53.5 | Low | 77 Ų | 77 | 88.7 Ų | 88.7 | 79% | 0.794 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -80.3 | 4.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D363 | D363-G365 PolarHBondContact O-N 2.99Š|
| 366 | L | 41.1 | Very low | 52.1 | Low | 89 Ų | 89 | 86 Ų | 86 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -105.8 | -17.9 | 168 | -73.4 | 169.4 | 0 | 0 | 0 | 112.9 | F364 R368 | F364-L366 VanDerWaalsContact C-N 3.29Å; F364-L366 PolarHBondContact O-N 3.37Å; L366-R368 PolarHBondContact O-N 3.18Å; L366-R368 VanDerWaalsContact O-N 3.13Å |
| 367 | S | 40.3 | Very low | 50.8 | Low | 41 Ų | 41 | 81.4 Ų | 81.4 | 29% | 0.287 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -79 | 91.9 | 168.2 | 23.3 | 0 | 0 | 0 | 0 | 108.6 | F364 Y369 | F364-S367 PolarHBondContact O-N 3.4Å; F364-S367 PolarHBondContact O-OG 3.35Å; S367-Y369 PolarHBondContact O-N 2.97Å |
| 368 | R | 42.9 | Very low | 49.2 | Very low | 107 Ų | 107 | 81.9 Ų | 81.9 | 40% | 0.404 | 45% | 0.446 | S | S | . | . | trans | -58.1 | 129.4 | 161.8 | -65.9 | -174.2 | -149.3 | 146.6 | 4.9 | 106.5 | L366 V370 T376 S377 | L366-R368 PolarHBondContact O-N 3.18Å; L366-R368 VanDerWaalsContact O-N 3.13Å; R368-V370 HydrophobicContact CB-CG2 3.82Å; R368-V370 PolarHBondContact O-N 3.46Å; R368-T376 PolarHBondContact NE-O 3.03Å; R368-T376 PolarHBondContact NH1-O 2.93Å; R368-T376 VanDerWaalsContact NH1-O 3.11Å; R368-T376 PolarHBondContact NH1-OG1 3.34Å; R368-T376 PolarHBondContact NH2-O 3.46Å; R368-S377 PolarHBondContact NH2-O 3.14Å | ||
| 369 | Y | 39.2 | Very low | 47.1 | Very low | 153 Ų | 153 | 86.1 Ų | 86.1 | 60% | 0.6 | 47% | 0.472 | S | S | * | . | trans | -71.1 | 88.2 | 166.7 | -72.3 | -101.9 | 0 | 0 | 0 | 106.9 | R123 S367 | R123-Y369 VanDerWaalsContact NH1-CE2 3.32Å; R123-Y369 VanDerWaalsContact NH1-CZ 3.26Å; S367-Y369 PolarHBondContact O-N 2.97Å | ||
| 370 | V | 35.4 | Very low | 45.3 | Very low | 48 Ų | 48 | 85.5 Ų | 85.5 | 29% | 0.291 | 49% | 0.485 | S | S | . | . | trans | -89.9 | 134 | 169.6 | -175.1 | 0 | 0 | 0 | 0 | 106.4 | R368 D372 E374 Y375 | R368-V370 HydrophobicContact CB-CG2 3.82Å; R368-V370 PolarHBondContact O-N 3.46Å; V370-D372 CarbonylContact C-O 3.55Å; V370-D372 HydrophobicContact CG1-CB 4.23Å; V370-D372 WeakPolarHBondContact CG1-O 3.44Å; V370-D372 PolarHBondContact O-N 2.83Å; V370-E374 WeakPolarHBondContact CG1-O 3.43Å; V370-Y375 VanDerWaalsContact CG2-CB 3.44Å | ||
| 371 | L | 38 | Very low | 43.6 | Very low | 94 Ų | 94 | 83.6 Ų | 83.6 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -71.8 | -10.8 | -180 | -76.4 | 163.5 | 0 | 0 | 0 | 112.5 | I9 | I9-L371 HydrophobicContact CG1-CD1 4.34Š|
| 372 | D | 35.6 | Very low | 42.6 | Very low | 92 Ų | 92 | 89.7 Ų | 89.7 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -102.6 | 148.4 | 165.1 | -83.5 | -38.7 | 0 | 0 | 0 | 109.6 | V370 E374 | V370-D372 CarbonylContact C-O 3.55Å; V370-D372 HydrophobicContact CG1-CB 4.23Å; V370-D372 WeakPolarHBondContact CG1-O 3.44Å; V370-D372 PolarHBondContact O-N 2.83Å; D372-E374 PolarHBondContact O-N 3.15Å |
| 373 | D | 40.1 | Very low | 42.7 | Very low | 98 Ų | 98 | 92.2 Ų | 92.2 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -60.2 | 20 | 172.2 | -90.7 | -45.9 | 0 | 0 | 0 | 113.7 | F398 S399 S400 | D373-F398 CarbonylContact C-O 3.43Å; D373-F398 CarbonylContact O-C 3.59Å; D373-S399 WeakPolarHBondContact O-CA 2.89Å; D373-S399 WeakPolarHBondContact O-CB 3.12Å; D373-S400 PolarHBondContact OD1-OG 3.32Å |
| 374 | E | 38.1 | Very low | 43.5 | Very low | 101 Ų | 101 | 89.3 Ų | 89.3 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | trans | -133.9 | 106.2 | -179.6 | -59.5 | -163 | 176.2 | 0 | 0 | 110.9 | V370 D372 K397 F398 | V370-E374 WeakPolarHBondContact CG1-O 3.43Å; D372-E374 PolarHBondContact O-N 3.15Å; E374-K397 HydrophobicContact CG-CD 4.33Å; E374-K397 HydrophobicContact CG-CG 3.89Å; E374-K397 WeakPolarHBondContact OE1-CD 3.35Å; E374-K397 WeakPolarHBondContact OE1-CE 3.49Å; E374-K397 IonicContact OE1-NZ 2.7Å; E374-K397 PolarHBondContact OE1-NZ 2.83Å; E374-F398 CarbonylContact C-O 3.53Å; E374-F398 WeakPolarHBondContact CA-O 3.4Å; E374-F398 PolarHBondContact N-O 3.32Å | ||
| 375 | Y | 48.2 | Very low | 44.6 | Very low | 33 Ų | 33 | 84 Ų | 84 | 13% | 0.129 | 48% | 0.478 | C | S | . | . | B | Isolated β-bridge | trans | -109.5 | 157.9 | 169.3 | 67.9 | -92.8 | 0 | 0 | 0 | 112.1 | V370 F398 D403 | V370-Y375 VanDerWaalsContact CG2-CB 3.44Å; Y375-F398 HydrophobicContact CD1-CB 3.4Å; Y375-F398 VanDerWaalsContact CD1-CB 3.4Å; Y375-F398 HydrophobicContact CD1-CG 4.45Å; Y375-F398 WeakPolarHBondContact CD1-O 3.43Å; Y375-F398 HydrophobicContact CD2-CB 3.6Å; Y375-F398 HydrophobicContact CD2-CD1 4.13Å; Y375-F398 HydrophobicContact CD2-CD2 4.29Å; Y375-F398 AromaticContact CD2-CG 3.8Å; Y375-F398 HydrophobicContact CD2-CG 3.8Å; Y375-F398 HydrophobicContact CE1-CB 3.3Å; Y375-F398 HydrophobicContact CE1-CD1 4.36Å; Y375-F398 HydrophobicContact CE1-CG 4.22Å; Y375-F398 HydrophobicContact CE2-CB 3.48Å; Y375-F398 VanDerWaalsContact CE2-CB 3.48Å; Y375-F398 AromaticContact CE2-CD1 3.38Å; Y375-F398 HydrophobicContact CE2-CD1 3.38Å; Y375-F398 HydrophobicContact CE2-CD2 4.33Å; Y375-F398 HydrophobicContact CE2-CE1 4.05Å; Y375-F398 AromaticContact CE2-CG 3.51Å; Y375-F398 HydrophobicContact CE2-CG 3.51Å; Y375-F398 HydrophobicContact CG-CB 3.55Å; Y375-F398 HydrophobicContact CG-CG 4.25Å; Y375-F398 AromaticContact CZ-CD1 3.51Å; Y375-F398 AromaticContact CZ-CG 3.74Å; Y375-F398 PolarHBondContact N-O 3.49Å; Y375-F398 WeakPolarHBondContact O-CB 3.48Å; Y375-F398 WeakPolarHBondContact O-CD2 3.36Å; Y375-F398 WeakPolarHBondContact OH-CD1 3.39Å; Y375-D403 PolarHBondContact OH-OD1 2.95Å |
| 376 | T | 40.6 | Very low | 46.6 | Very low | 77 Ų | 77 | 82.5 Ų | 82.5 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | trans | -111.3 | 153.1 | 173.8 | 39.6 | 0 | 0 | 0 | 0 | 110.4 | R368 | R368-T376 PolarHBondContact NE-O 3.03Å; R368-T376 PolarHBondContact NH1-O 2.93Å; R368-T376 VanDerWaalsContact NH1-O 3.11Å; R368-T376 PolarHBondContact NH1-OG1 3.34Å; R368-T376 PolarHBondContact NH2-O 3.46Å | ||
| 377 | S | 38.9 | Very low | 49 | Very low | 47 Ų | 47 | 79.7 Ų | 79.7 | 33% | 0.329 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 153.4 | 178.8 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | R368 | R368-S377 PolarHBondContact NH2-O 3.14Š|
| 378 | S | 35.5 | Very low | 51.2 | Low | 60 Ų | 60 | 78 Ų | 78 | 42% | 0.42 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 131.2 | 170.4 | 46.8 | 0 | 0 | 0 | 0 | 111.4 | G380 | S378-G380 PolarHBondContact O-N 2.67Š|
| 379 | V | 28.9 | Very low | 53.5 | Low | 159 Ų | 159 | 73.1 Ų | 73.1 | 96% | 0.964 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 119.6 | 176.1 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 380 | G | 35.5 | Very low | 55.9 | Low | 82 Ų | 82 | 66.5 Ų | 66.5 | 85% | 0.845 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.7 | -7.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | S378 | S378-G380 PolarHBondContact O-N 2.67Š|
| 381 | S | 38.1 | Very low | 58.2 | Low | 56 Ų | 56 | 65.2 Ų | 65.2 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -94.4 | 142.3 | 173.7 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | F383 | S381-F383 PolarHBondContact O-N 3.36Š|
| 382 | K | 52.9 | Low | 60.4 | Low | 212 Ų | 212 | 60.8 Ų | 60.8 | 92% | 0.922 | 35% | 0.346 | S | S | * | . | trans | -55 | 106.3 | 173 | -68.9 | -177.8 | 179.4 | -178.4 | 0 | 109.5 | ||||
| 383 | F | 65.5 | Low | 62.6 | Low | 66 Ų | 66 | 58.3 Ų | 58.3 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | trans | -65.2 | 131 | -174.5 | 176.1 | -93.4 | 0 | 0 | 0 | 111.3 | S381 V385 V392 L393 F398 | S381-F383 PolarHBondContact O-N 3.36Å; F383-V385 VanDerWaalsContact C-N 3.28Å; F383-V385 HydrophobicContact CD1-CB 4.39Å; F383-V385 HydrophobicContact CD1-CG2 3.5Å; F383-V385 VanDerWaalsContact CD1-CG2 3.5Å; F383-V385 HydrophobicContact CE1-CB 4.48Å; F383-V385 HydrophobicContact CE1-CG2 3.87Å; F383-V385 PolarHBondContact O-N 3.35Å; F383-V392 HydrophobicContact CE2-CG1 4.11Å; F383-V392 HydrophobicContact CZ-CG1 3.83Å; F383-L393 HydrophobicContact CE1-CD2 3.65Å; F383-L393 HydrophobicContact CZ-CD2 4.1Å; F383-F398 AromaticContact CE2-CZ 3.89Å; F383-F398 HydrophobicContact CE2-CZ 3.89Å | ||
| 384 | P | 76.2 | Confident | 64.3 | Low | 53 Ų | 53 | 58.4 Ų | 58.4 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | trans | -83.8 | 62.4 | -170.2 | 35.4 | -37.6 | 0 | 0 | 0 | 112.7 | R386 W387 S388 | P384-R386 VanDerWaalsContact C-N 3.28Å; P384-R386 PolarHBondContact O-N 3.21Å; P384-W387 HydrophobicContact CB-CE3 4.3Å; P384-W387 PolarHBondContact O-N 2.85Å; P384-S388 PolarHBondContact O-N 2.95Å; P384-S388 PolarHBondContact O-OG 2.92Å | ||
| 385 | V | 80.5 | Confident | 66 | Low | 19 Ų | 19 | 61.9 Ų | 61.9 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -43.1 | -48 | -173.7 | 178.2 | 0 | 0 | 0 | 0 | 114.2 | F383 W387 S388 L393 N427 A431 | F383-V385 VanDerWaalsContact C-N 3.28Å; F383-V385 HydrophobicContact CD1-CB 4.39Å; F383-V385 HydrophobicContact CD1-CG2 3.5Å; F383-V385 VanDerWaalsContact CD1-CG2 3.5Å; F383-V385 HydrophobicContact CE1-CB 4.48Å; F383-V385 HydrophobicContact CE1-CG2 3.87Å; F383-V385 PolarHBondContact O-N 3.35Å; V385-W387 PolarHBondContact O-N 3.13Å; V385-W387 VanDerWaalsContact O-N 3.16Å; V385-S388 PolarHBondContact O-N 2.66Å; V385-S388 VanDerWaalsContact O-N 3.08Å; V385-L393 HydrophobicContact CB-CD2 4.46Å; V385-L393 HydrophobicContact CG1-CD2 3.9Å; V385-N427 HydrophobicContact CB-CB 4.06Å; V385-N427 HydrophobicContact CG1-CB 4.15Å; V385-N427 VanDerWaalsContact CG1-O 3.29Å; V385-N427 WeakPolarHBondContact CG1-O 3.4Å; V385-N427 HydrophobicContact CG2-CB 3.95Å; V385-A431 HydrophobicContact CG1-CB 4.08Å |
| 386 | R | 87.3 | Confident | 67 | Low | 45 Ų | 45 | 63.1 Ų | 63.1 | 17% | 0.17 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -70.4 | -10 | -174 | -62.3 | 172.3 | 165.7 | 124.9 | 5.8 | 115 | P384 P421 Y422 F425 N427 T430 | P384-R386 VanDerWaalsContact C-N 3.28Å; P384-R386 PolarHBondContact O-N 3.21Å; R386-P421 HydrophobicContact CB-CB 4.32Å; R386-P421 WeakPolarHBondContact CD-O 3.35Å; R386-P421 PolarHBondContact NE-O 2.82Å; R386-Y422 HydrophobicContact CB-CD2 4.21Å; R386-Y422 HydrophobicContact CG-CD2 4.44Å; R386-F425 PolarHBondContact NH2-O 3.49Å; R386-N427 PolarHBondContact NH1-OD1 2.86Å; R386-T430 HydrophobicContact CG-CG2 4.1Å |
| 387 | W | 90.4 | Very high | 68.5 | Low | 30 Ų | 30 | 63.7 Ų | 63.7 | 11% | 0.114 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -108.3 | -2.7 | 175.6 | -69.5 | -100 | 0 | 0 | 0 | 112.1 | R349 P384 V385 A406 V409 E413 M420 P421 | R349-W387 VanDerWaalsContact NH1-CE3 3.3Å; P384-W387 HydrophobicContact CB-CE3 4.3Å; P384-W387 PolarHBondContact O-N 2.85Å; V385-W387 PolarHBondContact O-N 3.13Å; V385-W387 VanDerWaalsContact O-N 3.16Å; W387-A406 HydrophobicContact CB-CB 4.47Å; W387-V409 VanDerWaalsContact CD1-CG1 3.46Å; W387-V409 HydrophobicContact CD2-CG1 4.41Å; W387-V409 HydrophobicContact CG-CB 4.46Å; W387-V409 HydrophobicContact CG-CG1 4.02Å; W387-E413 WeakPolarHBondContact CZ2-OE1 3.41Å; W387-E413 PolarHBondContact NE1-OE2 3.34Å; W387-M420 HydrophobicContact CH2-SD 4.01Å; W387-P421 HydrophobicContact CH2-CG 4.22Å; W387-P421 HydrophobicContact CZ2-CG 3.79Å |
| 388 | S | 87 | Confident | 70.2 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | trans | -93.3 | 137.1 | -175 | -64.4 | 0 | 0 | 0 | 0 | 111 | P384 V385 W405 | P384-S388 PolarHBondContact O-N 2.95Å; P384-S388 PolarHBondContact O-OG 2.92Å; V385-S388 PolarHBondContact O-N 2.66Å; V385-S388 VanDerWaalsContact O-N 3.08Å; S388-W405 PolarHBondContact O-NE1 3.19Å | ||
| 389 | P | 91.1 | Very high | 72.1 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.019 | 32% | 0.322 | C | S | . | . | trans | -74 | 165.9 | 173 | 34.8 | -41.3 | 0 | 0 | 0 | 112.4 | E391 V392 L393 W405 | P389-E391 VanDerWaalsContact C-N 3.31Å; P389-E391 WeakPolarHBondContact CB-OE1 3.32Å; P389-E391 WeakPolarHBondContact CB-OE2 3.18Å; P389-E391 HydrophobicContact CG-CG 4.43Å; P389-E391 WeakPolarHBondContact CG-OE1 3.45Å; P389-E391 PolarHBondContact O-N 3.14Å; P389-V392 HydrophobicContact CG-CB 3.85Å; P389-V392 HydrophobicContact CG-CG2 3.54Å; P389-V392 PolarHBondContact O-N 2.94Å; P389-V392 VanDerWaalsContact O-N 3.07Å; P389-L393 WeakPolarHBondContact O-CG 3.47Å; P389-L393 PolarHBondContact O-N 2.92Å; P389-W405 HydrophobicContact CB-CB 3.82Å; P389-W405 HydrophobicContact CB-CD2 3.48Å; P389-W405 VanDerWaalsContact CB-CD2 3.48Å; P389-W405 HydrophobicContact CB-CE3 3.64Å; P389-W405 HydrophobicContact CB-CG 3.56Å; P389-W405 HydrophobicContact CB-CZ3 4.38Å; P389-W405 HydrophobicContact CG-CB 4.25Å; P389-W405 HydrophobicContact CG-CG 4.32Å | ||
| 390 | P | 89.8 | Confident | 74.4 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -51.1 | -44 | 180 | -23.6 | 28.7 | 0 | 0 | 0 | 114.1 | V392 L393 M394 W405 I434 | P390-V392 VanDerWaalsContact C-N 3.3Å; P390-V392 PolarHBondContact O-N 2.67Å; P390-L393 PolarHBondContact O-N 3.32Å; P390-M394 WeakPolarHBondContact O-CB 3.22Å; P390-M394 WeakPolarHBondContact O-CG 3.17Å; P390-M394 PolarHBondContact O-N 3.25Å; P390-W405 HydrophobicContact CG-CH2 4.13Å; P390-W405 HydrophobicContact CG-CZ3 4.27Å; P390-I434 HydrophobicContact CG-CG2 3.81Å |
| 391 | E | 84.8 | Confident | 76.9 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.4 | -28 | -177.8 | 71 | -78.8 | -177.5 | 0 | 0 | 113.5 | P389 Y395 S396 K397 R465 | P389-E391 VanDerWaalsContact C-N 3.31Å; P389-E391 WeakPolarHBondContact CB-OE1 3.32Å; P389-E391 WeakPolarHBondContact CB-OE2 3.18Å; P389-E391 HydrophobicContact CG-CG 4.43Å; P389-E391 WeakPolarHBondContact CG-OE1 3.45Å; P389-E391 PolarHBondContact O-N 3.14Å; E391-Y395 HydrophobicContact CB-CD2 4.45Å; E391-Y395 CarbonylContact O-C 3.54Å; E391-Y395 WeakPolarHBondContact O-CA 3.4Å; E391-Y395 WeakPolarHBondContact O-CB 3.31Å; E391-Y395 PolarHBondContact O-N 3.26Å; E391-S396 PolarHBondContact O-N 2.94Å; E391-K397 HydrophobicContact CB-CB 4.37Å; E391-K397 HydrophobicContact CG-CB 4.34Å; E391-K397 PolarHBondContact O-N 3.15Å; E391-R465 IonicContact OE1-CZ 2.72Å; E391-R465 IonicContact OE1-NH1 3.92Å; E391-R465 PolarHBondContact OE1-NH1 3.31Å; E391-R465 IonicContact OE1-NH2 3.47Å; E391-R465 PolarHBondContact OE1-NH2 3.24Å; E391-R465 IonicContact OE2-CZ 3.5Å; E391-R465 IonicContact OE2-NH1 2.99Å; E391-R465 IonicContact OE2-NH2 3.2Å; E391-R465 PolarHBondContact OE2-NH2 2.93Å |
| 392 | V | 84.4 | Confident | 79 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.6 | -40.4 | 173 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | F383 P389 P390 S396 K397 F398 | F383-V392 HydrophobicContact CE2-CG1 4.11Å; F383-V392 HydrophobicContact CZ-CG1 3.83Å; P389-V392 HydrophobicContact CG-CB 3.85Å; P389-V392 HydrophobicContact CG-CG2 3.54Å; P389-V392 PolarHBondContact O-N 2.94Å; P389-V392 VanDerWaalsContact O-N 3.07Å; P390-V392 VanDerWaalsContact C-N 3.3Å; P390-V392 PolarHBondContact O-N 2.67Å; V392-S396 VanDerWaalsContact O-CA 3.23Å; V392-S396 WeakPolarHBondContact O-CA 3.42Å; V392-S396 PolarHBondContact O-N 3.46Å; V392-K397 WeakPolarHBondContact CG2-O 3.19Å; V392-F398 HydrophobicContact CG1-CD1 3.93Å; V392-F398 HydrophobicContact CG1-CD2 4.19Å; V392-F398 HydrophobicContact CG1-CE1 3.51Å; V392-F398 HydrophobicContact CG1-CE2 3.83Å; V392-F398 HydrophobicContact CG1-CG 4.28Å; V392-F398 HydrophobicContact CG1-CZ 3.49Å; V392-F398 VanDerWaalsContact CG1-CZ 3.49Å; V392-F398 HydrophobicContact CG2-CB 4.37Å; V392-F398 HydrophobicContact CG2-CD1 3.88Å; V392-F398 HydrophobicContact CG2-CD2 4.27Å; V392-F398 HydrophobicContact CG2-CE1 4.33Å; V392-F398 HydrophobicContact CG2-CG 3.88Å |
| 393 | L | 80.8 | Confident | 80.5 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.7 | -42.1 | 179.7 | -65.5 | 175.2 | 0 | 0 | 0 | 112.5 | F383 V385 P389 P390 A431 I434 | F383-L393 HydrophobicContact CE1-CD2 3.65Å; F383-L393 HydrophobicContact CZ-CD2 4.1Å; V385-L393 HydrophobicContact CB-CD2 4.46Å; V385-L393 HydrophobicContact CG1-CD2 3.9Å; P389-L393 WeakPolarHBondContact O-CG 3.47Å; P389-L393 PolarHBondContact O-N 2.92Å; P390-L393 PolarHBondContact O-N 3.32Å; L393-A431 HydrophobicContact CD1-CB 3.94Å; L393-A431 HydrophobicContact CD2-CB 4.39Å; L393-I434 HydrophobicContact CD1-CD1 4.5Å; L393-I434 HydrophobicContact CD1-CG2 4.25Å |
| 394 | M | 75.1 | Confident | 81.6 | Confident | 100 Ų | 100 | 40.5 Ų | 40.5 | 49% | 0.493 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -87.1 | -43 | -176 | -65.1 | -175.8 | -175.5 | 0 | 0 | 113.1 | P390 A435 | P390-M394 WeakPolarHBondContact O-CB 3.22Å; P390-M394 WeakPolarHBondContact O-CG 3.17Å; P390-M394 PolarHBondContact O-N 3.25Å; M394-A435 HydrophobicContact CE-CB 3.14Å |
| 395 | Y | 74.1 | Confident | 82.4 | Confident | 175 Ų | 175 | 38 Ų | 38 | 69% | 0.686 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -120.7 | -0.3 | -166.7 | -48.2 | -64 | 0 | 0 | 0 | 113 | E391 K397 | E391-Y395 HydrophobicContact CB-CD2 4.45Å; E391-Y395 CarbonylContact O-C 3.54Å; E391-Y395 WeakPolarHBondContact O-CA 3.4Å; E391-Y395 WeakPolarHBondContact O-CB 3.31Å; E391-Y395 PolarHBondContact O-N 3.26Å; Y395-K397 PolarHBondContact O-N 2.77Å |
| 396 | S | 69.1 | Low | 82.8 | Confident | 59 Ų | 59 | 38.5 Ų | 38.5 | 41% | 0.413 | 19% | 0.194 | S | C | . | . | trans | 52.2 | 35.5 | -173.5 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | E391 V392 F398 | E391-S396 PolarHBondContact O-N 2.94Å; V392-S396 VanDerWaalsContact O-CA 3.23Å; V392-S396 WeakPolarHBondContact O-CA 3.42Å; V392-S396 PolarHBondContact O-N 3.46Å; S396-F398 WeakPolarHBondContact O-CD2 3.35Å; S396-F398 PolarHBondContact O-N 2.69Å | ||
| 397 | K | 71.7 | Confident | 83 | Confident | 89 Ų | 89 | 38.8 Ų | 38.8 | 39% | 0.387 | 20% | 0.197 | S | C | . | . | trans | -91.6 | 95.8 | 178.8 | 178.5 | 170.6 | 171.6 | 146.5 | 0 | 110.1 | E374 E391 V392 Y395 | E374-K397 HydrophobicContact CG-CD 4.33Å; E374-K397 HydrophobicContact CG-CG 3.89Å; E374-K397 WeakPolarHBondContact OE1-CD 3.35Å; E374-K397 WeakPolarHBondContact OE1-CE 3.49Å; E374-K397 IonicContact OE1-NZ 2.7Å; E374-K397 PolarHBondContact OE1-NZ 2.83Å; E391-K397 HydrophobicContact CB-CB 4.37Å; E391-K397 HydrophobicContact CG-CB 4.34Å; E391-K397 PolarHBondContact O-N 3.15Å; V392-K397 WeakPolarHBondContact CG2-O 3.19Å; Y395-K397 PolarHBondContact O-N 2.77Å | ||
| 398 | F | 75.1 | Confident | 83.1 | Confident | 21 Ų | 21 | 37.4 Ų | 37.4 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -100.1 | 128.1 | -179.5 | -63.8 | -109.1 | 0 | 0 | 0 | 111.9 | D373 E374 Y375 F383 V392 S396 | D373-F398 CarbonylContact C-O 3.43Å; D373-F398 CarbonylContact O-C 3.59Å; E374-F398 CarbonylContact C-O 3.53Å; E374-F398 WeakPolarHBondContact CA-O 3.4Å; E374-F398 PolarHBondContact N-O 3.32Å; Y375-F398 HydrophobicContact CD1-CB 3.4Å; Y375-F398 VanDerWaalsContact CD1-CB 3.4Å; Y375-F398 HydrophobicContact CD1-CG 4.45Å; Y375-F398 WeakPolarHBondContact CD1-O 3.43Å; Y375-F398 HydrophobicContact CD2-CB 3.6Å; Y375-F398 HydrophobicContact CD2-CD1 4.13Å; Y375-F398 HydrophobicContact CD2-CD2 4.29Å; Y375-F398 AromaticContact CD2-CG 3.8Å; Y375-F398 HydrophobicContact CD2-CG 3.8Å; Y375-F398 HydrophobicContact CE1-CB 3.3Å; Y375-F398 HydrophobicContact CE1-CD1 4.36Å; Y375-F398 HydrophobicContact CE1-CG 4.22Å; Y375-F398 HydrophobicContact CE2-CB 3.48Å; Y375-F398 VanDerWaalsContact CE2-CB 3.48Å; Y375-F398 AromaticContact CE2-CD1 3.38Å; Y375-F398 HydrophobicContact CE2-CD1 3.38Å; Y375-F398 HydrophobicContact CE2-CD2 4.33Å; Y375-F398 HydrophobicContact CE2-CE1 4.05Å; Y375-F398 AromaticContact CE2-CG 3.51Å; Y375-F398 HydrophobicContact CE2-CG 3.51Å; Y375-F398 HydrophobicContact CG-CB 3.55Å; Y375-F398 HydrophobicContact CG-CG 4.25Å; Y375-F398 AromaticContact CZ-CD1 3.51Å; Y375-F398 AromaticContact CZ-CG 3.74Å; Y375-F398 PolarHBondContact N-O 3.49Å; Y375-F398 WeakPolarHBondContact O-CB 3.48Å; Y375-F398 WeakPolarHBondContact O-CD2 3.36Å; Y375-F398 WeakPolarHBondContact OH-CD1 3.39Å; F383-F398 AromaticContact CE2-CZ 3.89Å; F383-F398 HydrophobicContact CE2-CZ 3.89Å; V392-F398 HydrophobicContact CG1-CD1 3.93Å; V392-F398 HydrophobicContact CG1-CD2 4.19Å; V392-F398 HydrophobicContact CG1-CE1 3.51Å; V392-F398 HydrophobicContact CG1-CE2 3.83Å; V392-F398 HydrophobicContact CG1-CG 4.28Å; V392-F398 HydrophobicContact CG1-CZ 3.49Å; V392-F398 VanDerWaalsContact CG1-CZ 3.49Å; V392-F398 HydrophobicContact CG2-CB 4.37Å; V392-F398 HydrophobicContact CG2-CD1 3.88Å; V392-F398 HydrophobicContact CG2-CD2 4.27Å; V392-F398 HydrophobicContact CG2-CE1 4.33Å; V392-F398 HydrophobicContact CG2-CG 3.88Å; S396-F398 WeakPolarHBondContact O-CD2 3.35Å; S396-F398 PolarHBondContact O-N 2.69Å |
| 399 | S | 76.1 | Confident | 83.5 | Confident | 10 Ų | 10 | 37 Ų | 37 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | trans | -138.4 | 176.7 | -177.3 | 69.8 | 0 | 0 | 0 | 0 | 111.9 | D373 K401 S402 D403 | D373-S399 WeakPolarHBondContact O-CA 2.89Å; D373-S399 WeakPolarHBondContact O-CB 3.12Å; S399-K401 PolarHBondContact O-N 2.83Å; S399-K401 VanDerWaalsContact O-N 3.14Å; S399-K401 WeakPolarHBondContact OG-CB 3.46Å; S399-K401 PolarHBondContact OG-N 2.85Å; S399-S402 PolarHBondContact N-OG 3.36Å; S399-S402 WeakPolarHBondContact O-CB 3.18Å; S399-S402 PolarHBondContact O-N 2.87Å; S399-S402 PolarHBondContact O-OG 3.23Å; S399-S402 PolarHBondContact OG-N 3.07Å; S399-D403 PolarHBondContact O-N 2.84Å | ||
| 400 | S | 77.1 | Confident | 83.4 | Confident | 56 Ų | 56 | 39.3 Ų | 39.3 | 39% | 0.392 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -50.5 | -34.1 | 165.2 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | D373 D403 I404 | D373-S400 PolarHBondContact OD1-OG 3.32Å; S400-D403 PolarHBondContact O-N 3.11Å; S400-I404 WeakPolarHBondContact O-CG1 3.44Å; S400-I404 PolarHBondContact O-N 3.48Å; S400-I404 VanDerWaalsContact O-N 3.15Å |
| 401 | K | 87.4 | Confident | 83.5 | Confident | 42 Ų | 42 | 39.3 Ų | 39.3 | 18% | 0.183 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.7 | -23.6 | 177.6 | -54.1 | -62.3 | -165.1 | 160.4 | 0 | 113.7 | S399 W405 A462 D463 R465 | S399-K401 PolarHBondContact O-N 2.83Å; S399-K401 VanDerWaalsContact O-N 3.14Å; S399-K401 WeakPolarHBondContact OG-CB 3.46Å; S399-K401 PolarHBondContact OG-N 2.85Å; K401-W405 PolarHBondContact O-N 3.05Å; K401-A462 HydrophobicContact CB-CB 3.89Å; K401-A462 WeakPolarHBondContact CB-O 3.45Å; K401-A462 WeakPolarHBondContact CD-O 3.34Å; K401-A462 HydrophobicContact CG-CB 4.32Å; K401-A462 WeakPolarHBondContact CG-O 3.5Å; K401-D463 PolarHBondContact NZ-O 2.74Å; K401-R465 HydrophobicContact CD-CB 4.37Å; K401-R465 PolarHBondContact NZ-O 3.49Å; K401-R465 PolarHBondContact O-NH1 2.86Å |
| 402 | S | 83.6 | Confident | 83.9 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73.4 | -33.6 | 170.7 | 72 | 0 | 0 | 0 | 0 | 112 | S399 I404 W405 A406 | S399-S402 PolarHBondContact N-OG 3.36Å; S399-S402 WeakPolarHBondContact O-CB 3.18Å; S399-S402 PolarHBondContact O-N 2.87Å; S399-S402 PolarHBondContact O-OG 3.23Å; S399-S402 PolarHBondContact OG-N 3.07Å; S402-I404 VanDerWaalsContact C-N 3.33Å; S402-W405 WeakPolarHBondContact O-CB 3.23Å; S402-W405 PolarHBondContact O-N 2.9Å; S402-A406 PolarHBondContact O-N 3.27Å; S402-A406 VanDerWaalsContact O-N 3.13Å |
| 403 | D | 83.4 | Confident | 84.2 | Confident | 60 Ų | 60 | 40 Ų | 40 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.3 | -35.6 | 172.9 | -63.2 | -22.1 | 0 | 0 | 0 | 111.1 | Y375 S399 S400 A406 F407 F468 | Y375-D403 PolarHBondContact OH-OD1 2.95Å; S399-D403 PolarHBondContact O-N 2.84Å; S400-D403 PolarHBondContact O-N 3.11Å; D403-A406 PolarHBondContact O-N 3.05Å; D403-F407 WeakPolarHBondContact O-CB 3.46Å; D403-F407 PolarHBondContact O-N 3.15Å; D403-F468 HydrophobicContact CB-CE2 4.15Å; D403-F468 HydrophobicContact CB-CZ 4.29Å |
| 404 | I | 88 | Confident | 84.5 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 172.5 | -65.2 | -70.9 | 0 | 0 | 0 | 111.1 | S400 S402 A406 F407 G408 C457 R465 P466 F468 L471 | S400-I404 WeakPolarHBondContact O-CG1 3.44Å; S400-I404 PolarHBondContact O-N 3.48Å; S400-I404 VanDerWaalsContact O-N 3.15Å; S402-I404 VanDerWaalsContact C-N 3.33Å; I404-A406 PolarHBondContact O-N 3.25Å; I404-F407 WeakPolarHBondContact O-CB 3.08Å; I404-F407 PolarHBondContact O-N 3.21Å; I404-G408 PolarHBondContact O-N 3.39Å; I404-C457 HydrophobicContact CG2-CB 3.89Å; I404-C457 WeakPolarHBondContact O-CB 3.44Å; I404-R465 HydrophobicContact CG2-CB 4Å; I404-P466 WeakPolarHBondContact CD1-O 3.35Å; I404-P466 WeakPolarHBondContact CG1-O 3.23Å; I404-P466 HydrophobicContact CG2-CG 4.33Å; I404-F468 HydrophobicContact CD1-CB 4.44Å; I404-F468 HydrophobicContact CD1-CD1 3.88Å; I404-F468 HydrophobicContact CD1-CD2 3.64Å; I404-F468 HydrophobicContact CD1-CE1 3.96Å; I404-F468 HydrophobicContact CD1-CE2 3.71Å; I404-F468 HydrophobicContact CD1-CG 3.71Å; I404-F468 HydrophobicContact CD1-CZ 3.87Å; I404-F468 HydrophobicContact CG1-CE2 4.28Å; I404-L471 HydrophobicContact CD1-CD1 3.64Å; I404-L471 HydrophobicContact CG2-CD1 4.24Å |
| 405 | W | 93.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.1 | -49.2 | 175.6 | -179.5 | -73 | 0 | 0 | 0 | 111.7 | S388 P389 P390 K401 S402 F407 G408 V409 I434 W458 | S388-W405 PolarHBondContact O-NE1 3.19Å; P389-W405 HydrophobicContact CB-CB 3.82Å; P389-W405 HydrophobicContact CB-CD2 3.48Å; P389-W405 VanDerWaalsContact CB-CD2 3.48Å; P389-W405 HydrophobicContact CB-CE3 3.64Å; P389-W405 HydrophobicContact CB-CG 3.56Å; P389-W405 HydrophobicContact CB-CZ3 4.38Å; P389-W405 HydrophobicContact CG-CB 4.25Å; P389-W405 HydrophobicContact CG-CG 4.32Å; P390-W405 HydrophobicContact CG-CH2 4.13Å; P390-W405 HydrophobicContact CG-CZ3 4.27Å; K401-W405 PolarHBondContact O-N 3.05Å; S402-W405 WeakPolarHBondContact O-CB 3.23Å; S402-W405 PolarHBondContact O-N 2.9Å; W405-F407 VanDerWaalsContact C-N 3.26Å; W405-F407 PolarHBondContact O-N 3.45Å; W405-G408 PolarHBondContact O-N 3.3Å; W405-G408 VanDerWaalsContact O-N 3.13Å; W405-V409 PolarHBondContact O-N 3.3Å; W405-V409 VanDerWaalsContact O-N 3.12Å; W405-I434 HydrophobicContact CH2-CG2 3.84Å; W405-I434 HydrophobicContact CZ2-CG2 3.62Å; W405-W458 HydrophobicContact CD2-CB 4.4Å; W405-W458 AromaticContact CD2-CD1 3.57Å; W405-W458 HydrophobicContact CD2-CG 4.33Å; W405-W458 AromaticContact CE2-CD1 3.7Å; W405-W458 HydrophobicContact CE3-CB 4.01Å; W405-W458 AromaticContact CE3-CD1 3.99Å; W405-W458 HydrophobicContact CE3-CG 4.41Å; W405-W458 AromaticContact CG-CD1 3.82Å; W405-W458 HydrophobicContact CH2-CB 3.99Å; W405-W458 HydrophobicContact CZ2-CB 4.38Å; W405-W458 HydrophobicContact CZ2-CG 4.45Å; W405-W458 HydrophobicContact CZ3-CB 3.8Å; W405-W458 WeakPolarHBondContact CZ3-O 3.49Å; W405-W458 AromaticContact NE1-CD1 4Å; W405-W458 PolarHBondContact O-NE1 2.83Å |
| 406 | A | 89.8 | Confident | 85.9 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W387 S402 D403 I404 V409 L410 | W387-A406 HydrophobicContact CB-CB 4.47Å; S402-A406 PolarHBondContact O-N 3.27Å; S402-A406 VanDerWaalsContact O-N 3.13Å; D403-A406 PolarHBondContact O-N 3.05Å; I404-A406 PolarHBondContact O-N 3.25Å; A406-V409 PolarHBondContact O-N 3.44Å; A406-L410 PolarHBondContact O-N 2.86Å |
| 407 | F | 89.8 | Confident | 86.7 | Confident | 51 Ų | 51 | 37.5 Ų | 37.5 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 173.5 | 178.2 | -99.8 | 0 | 0 | 0 | 112.3 | D403 I404 W405 V409 L410 M411 F468 L471 I475 | D403-F407 WeakPolarHBondContact O-CB 3.46Å; D403-F407 PolarHBondContact O-N 3.15Å; I404-F407 WeakPolarHBondContact O-CB 3.08Å; I404-F407 PolarHBondContact O-N 3.21Å; W405-F407 VanDerWaalsContact C-N 3.26Å; W405-F407 PolarHBondContact O-N 3.45Å; F407-V409 VanDerWaalsContact C-N 3.3Å; F407-V409 PolarHBondContact O-N 3.1Å; F407-L410 HydrophobicContact CD2-CD2 4.42Å; F407-L410 WeakPolarHBondContact O-CB 3.42Å; F407-L410 PolarHBondContact O-N 3.11Å; F407-L410 VanDerWaalsContact O-N 3.13Å; F407-M411 HydrophobicContact CD1-CG 4.2Å; F407-M411 HydrophobicContact CD1-SD 4.04Å; F407-M411 HydrophobicContact CE1-CG 3.77Å; F407-M411 HydrophobicContact CE1-SD 3.4Å; F407-M411 WeakPolarHBondContact CE1-SD 3.44Å; F407-M411 HydrophobicContact CE2-CG 4.49Å; F407-M411 HydrophobicContact CZ-CG 3.93Å; F407-M411 HydrophobicContact CZ-SD 3.98Å; F407-M411 WeakPolarHBondContact O-CG 3.31Å; F407-M411 PolarHBondContact O-N 3.25Å; F407-F468 HydrophobicContact CB-CE1 3.77Å; F407-F468 HydrophobicContact CB-CZ 4.1Å; F407-F468 HydrophobicContact CD1-CE1 4.21Å; F407-F468 AromaticContact CD2-CE1 3.92Å; F407-F468 HydrophobicContact CD2-CE1 3.92Å; F407-F468 AromaticContact CG-CE1 3.7Å; F407-F468 HydrophobicContact CG-CE1 3.7Å; F407-F468 HydrophobicContact CG-CZ 4.49Å; F407-L471 HydrophobicContact CD1-CD1 3.67Å; F407-L471 HydrophobicContact CE1-CB 4.49Å; F407-L471 HydrophobicContact CE1-CD1 3.89Å; F407-I475 HydrophobicContact CE1-CD1 4.28Å; F407-I475 HydrophobicContact CZ-CD1 3.98Å |
| 408 | G | 93.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.8 | -43.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | I404 W405 L410 M411 W412 W458 | I404-G408 PolarHBondContact O-N 3.39Å; W405-G408 PolarHBondContact O-N 3.3Å; W405-G408 VanDerWaalsContact O-N 3.13Å; G408-L410 VanDerWaalsContact C-N 3.34Å; G408-L410 PolarHBondContact O-N 2.87Å; G408-M411 WeakPolarHBondContact O-CB 3.49Å; G408-M411 PolarHBondContact O-N 3.36Å; G408-W412 PolarHBondContact O-N 3.46Å; G408-W458 VanDerWaalsContact O-CZ2 3.25Å; G408-W458 WeakPolarHBondContact O-CZ2 3.17Å |
| 409 | V | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | W387 W405 A406 F407 W412 E413 P421 L440 W458 | W387-V409 VanDerWaalsContact CD1-CG1 3.46Å; W387-V409 HydrophobicContact CD2-CG1 4.41Å; W387-V409 HydrophobicContact CG-CB 4.46Å; W387-V409 HydrophobicContact CG-CG1 4.02Å; W405-V409 PolarHBondContact O-N 3.3Å; W405-V409 VanDerWaalsContact O-N 3.12Å; A406-V409 PolarHBondContact O-N 3.44Å; F407-V409 VanDerWaalsContact C-N 3.3Å; F407-V409 PolarHBondContact O-N 3.1Å; V409-W412 WeakPolarHBondContact O-CB 3.41Å; V409-W412 PolarHBondContact O-N 2.73Å; V409-E413 WeakPolarHBondContact O-CG 3.48Å; V409-E413 PolarHBondContact O-N 3.35Å; V409-P421 HydrophobicContact CG1-CB 3.91Å; V409-P421 HydrophobicContact CG1-CG 3.54Å; V409-L440 HydrophobicContact CG1-CD1 4.17Å; V409-L440 HydrophobicContact CG2-CD1 4.24Å; V409-W458 HydrophobicContact CG2-CZ2 4.21Å |
| 410 | L | 91 | Very high | 88.2 | Confident | 51 Ų | 51 | 40.4 Ų | 40.4 | 27% | 0.267 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.7 | 176.7 | 65.2 | 0 | 0 | 0 | 112.1 | A406 F407 G408 W412 E413 I414 | A406-L410 PolarHBondContact O-N 2.86Å; F407-L410 HydrophobicContact CD2-CD2 4.42Å; F407-L410 WeakPolarHBondContact O-CB 3.42Å; F407-L410 PolarHBondContact O-N 3.11Å; F407-L410 VanDerWaalsContact O-N 3.13Å; G408-L410 VanDerWaalsContact C-N 3.34Å; G408-L410 PolarHBondContact O-N 2.87Å; L410-W412 VanDerWaalsContact C-N 3.28Å; L410-W412 PolarHBondContact O-N 2.81Å; L410-E413 WeakPolarHBondContact O-CB 3.4Å; L410-E413 PolarHBondContact O-N 2.79Å; L410-I414 HydrophobicContact CD1-CD1 4.49Å; L410-I414 HydrophobicContact CG-CD1 4.19Å; L410-I414 WeakPolarHBondContact O-CG1 3.34Å; L410-I414 PolarHBondContact O-N 3.38Å |
| 411 | M | 90.3 | Very high | 88.8 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 7% | 0.069 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 173.1 | -69.8 | -175.2 | 74.7 | 0 | 0 | 110.4 | F407 G408 E413 I414 Y415 I453 M454 | F407-M411 HydrophobicContact CD1-CG 4.2Å; F407-M411 HydrophobicContact CD1-SD 4.04Å; F407-M411 HydrophobicContact CE1-CG 3.77Å; F407-M411 HydrophobicContact CE1-SD 3.4Å; F407-M411 WeakPolarHBondContact CE1-SD 3.44Å; F407-M411 HydrophobicContact CE2-CG 4.49Å; F407-M411 HydrophobicContact CZ-CG 3.93Å; F407-M411 HydrophobicContact CZ-SD 3.98Å; F407-M411 WeakPolarHBondContact O-CG 3.31Å; F407-M411 PolarHBondContact O-N 3.25Å; G408-M411 WeakPolarHBondContact O-CB 3.49Å; G408-M411 PolarHBondContact O-N 3.36Å; M411-E413 VanDerWaalsContact C-N 3.31Å; M411-E413 PolarHBondContact O-N 3.27Å; M411-I414 PolarHBondContact O-N 2.91Å; M411-Y415 WeakPolarHBondContact O-CD2 3.31Å; M411-Y415 PolarHBondContact O-N 2.67Å; M411-I453 HydrophobicContact CE-CB 4.28Å; M411-I453 HydrophobicContact CE-CG2 3.86Å; M411-I453 HydrophobicContact SD-CG2 4Å; M411-M454 HydrophobicContact CB-CB 3.88Å; M411-M454 HydrophobicContact CB-CE 4.44Å; M411-M454 HydrophobicContact CE-CB 4.46Å; M411-M454 HydrophobicContact SD-CB 4.02Å |
| 412 | W | 94.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 176.3 | -175.9 | 94.3 | 0 | 0 | 0 | 112.3 | G408 V409 L410 Y415 S416 K419 P421 L440 Y441 P443 M454 W458 | G408-W412 PolarHBondContact O-N 3.46Å; V409-W412 WeakPolarHBondContact O-CB 3.41Å; V409-W412 PolarHBondContact O-N 2.73Å; L410-W412 VanDerWaalsContact C-N 3.28Å; L410-W412 PolarHBondContact O-N 2.81Å; W412-Y415 PolarHBondContact O-N 2.84Å; W412-S416 VanDerWaalsContact CE2-OG 3.31Å; W412-S416 WeakPolarHBondContact CZ2-OG 3.24Å; W412-S416 WeakPolarHBondContact O-CB 3.33Å; W412-S416 PolarHBondContact O-N 2.96Å; W412-S416 PolarHBondContact O-OG 3.34Å; W412-K419 HydrophobicContact CH2-CB 3.91Å; W412-K419 HydrophobicContact CZ3-CB 4.07Å; W412-P421 HydrophobicContact CE3-CB 4.41Å; W412-P421 HydrophobicContact CE3-CG 4.19Å; W412-P421 HydrophobicContact CZ3-CB 4.27Å; W412-P421 HydrophobicContact CZ3-CG 4.14Å; W412-L440 HydrophobicContact CB-CD1 4.01Å; W412-L440 HydrophobicContact CD2-CB 4.36Å; W412-L440 HydrophobicContact CD2-CD1 3.83Å; W412-L440 HydrophobicContact CD2-CD2 4.31Å; W412-L440 HydrophobicContact CD2-CG 4.39Å; W412-L440 HydrophobicContact CE3-CD1 4.21Å; W412-L440 HydrophobicContact CG-CB 4.07Å; W412-L440 HydrophobicContact CG-CD1 3.71Å; W412-L440 HydrophobicContact CG-CG 4.39Å; W412-L440 HydrophobicContact CZ2-CD2 4.26Å; W412-Y441 VanDerWaalsContact CD1-O 3.28Å; W412-Y441 HydrophobicContact CZ2-CD1 4.45Å; W412-Y441 AromaticContact CZ2-CE1 3.75Å; W412-Y441 HydrophobicContact CZ2-CE1 3.75Å; W412-Y441 HydrophobicContact CZ2-CE2 4.38Å; W412-Y441 AromaticContact CZ2-CZ 3.7Å; W412-Y441 PolarHBondContact NE1-O 3.28Å; W412-P443 VanDerWaalsContact CD1-CG 3.48Å; W412-P443 HydrophobicContact CG-CG 4.1Å; W412-M454 HydrophobicContact CB-SD 4.05Å; W412-W458 HydrophobicContact CB-CH2 4Å; W412-W458 HydrophobicContact CB-CZ2 4.13Å; W412-W458 HydrophobicContact CG-CH2 4.35Å |
| 413 | E | 89.9 | Confident | 89.1 | Confident | 36 Ų | 36 | 41.3 Ų | 41.3 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.1 | -74 | -178 | 97.9 | 0 | 0 | 111.7 | W387 V409 L410 M411 S416 L417 G418 P421 | W387-E413 WeakPolarHBondContact CZ2-OE1 3.41Å; W387-E413 PolarHBondContact NE1-OE2 3.34Å; V409-E413 WeakPolarHBondContact O-CG 3.48Å; V409-E413 PolarHBondContact O-N 3.35Å; L410-E413 WeakPolarHBondContact O-CB 3.4Å; L410-E413 PolarHBondContact O-N 2.79Å; M411-E413 VanDerWaalsContact C-N 3.31Å; M411-E413 PolarHBondContact O-N 3.27Å; E413-S416 CarbonylContact O-C 3.58Å; E413-S416 PolarHBondContact O-N 2.87Å; E413-L417 PolarHBondContact O-N 3.09Å; E413-L417 VanDerWaalsContact O-N 3.1Å; E413-G418 WeakPolarHBondContact O-CA 3.08Å; E413-G418 PolarHBondContact O-N 3.5Å; E413-P421 HydrophobicContact CG-CG 3.89Å |
| 414 | I | 86.8 | Confident | 89.5 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 54% | 0.544 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.4 | -53.3 | 177.7 | -68.8 | 164.9 | 0 | 0 | 0 | 109.9 | L410 M411 S416 L417 | L410-I414 HydrophobicContact CD1-CD1 4.49Å; L410-I414 HydrophobicContact CG-CD1 4.19Å; L410-I414 WeakPolarHBondContact O-CG1 3.34Å; L410-I414 PolarHBondContact O-N 3.38Å; M411-I414 PolarHBondContact O-N 2.91Å; I414-S416 PolarHBondContact O-N 2.84Å; I414-L417 PolarHBondContact O-N 3.29Å; I414-L417 VanDerWaalsContact O-N 3.1Å |
| 415 | Y | 89.8 | Confident | 89.4 | Confident | 77 Ų | 77 | 51.7 Ų | 51.7 | 30% | 0.302 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.6 | -11.2 | -179 | -79.9 | -83.6 | 0 | 0 | 0 | 114.1 | M411 W412 P443 L445 A446 V450 M454 | M411-Y415 WeakPolarHBondContact O-CD2 3.31Å; M411-Y415 PolarHBondContact O-N 2.67Å; W412-Y415 PolarHBondContact O-N 2.84Å; Y415-P443 WeakPolarHBondContact O-CB 3.26Å; Y415-L445 HydrophobicContact CD1-CB 4.26Å; Y415-L445 WeakPolarHBondContact CD1-O 3.33Å; Y415-A446 HydrophobicContact CD1-CB 3.81Å; Y415-A446 HydrophobicContact CE1-CB 4.48Å; Y415-A446 HydrophobicContact CG-CB 3.93Å; Y415-V450 HydrophobicContact CD1-CG1 4.29Å; Y415-V450 HydrophobicContact CD2-CG1 3.84Å; Y415-V450 HydrophobicContact CE1-CG1 3.83Å; Y415-V450 HydrophobicContact CE2-CG1 3.35Å; Y415-V450 HydrophobicContact CG-CG1 4.29Å; Y415-M454 HydrophobicContact CD2-CE 4.04Å; Y415-M454 HydrophobicContact CG-CE 4.37Å |
| 416 | S | 88.3 | Confident | 88.8 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 11.4 | 173 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | W412 E413 I414 G418 K419 P443 | W412-S416 VanDerWaalsContact CE2-OG 3.31Å; W412-S416 WeakPolarHBondContact CZ2-OG 3.24Å; W412-S416 WeakPolarHBondContact O-CB 3.33Å; W412-S416 PolarHBondContact O-N 2.96Å; W412-S416 PolarHBondContact O-OG 3.34Å; E413-S416 CarbonylContact O-C 3.58Å; E413-S416 PolarHBondContact O-N 2.87Å; I414-S416 PolarHBondContact O-N 2.84Å; S416-G418 PolarHBondContact O-N 2.71Å; S416-K419 WeakPolarHBondContact O-CG 3.41Å; S416-K419 PolarHBondContact O-N 3.42Å; S416-P443 WeakPolarHBondContact OG-CB 3.27Å; S416-P443 VanDerWaalsContact OG-CG 3.3Å; S416-P443 WeakPolarHBondContact OG-CG 3.35Å |
| 417 | L | 87.3 | Confident | 88.2 | Confident | 125 Ų | 125 | 57 Ų | 57 | 65% | 0.654 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 40 | -179.1 | -51.8 | 179.5 | 0 | 0 | 0 | 112.8 | R332 E413 I414 L445 | R332-L417 PolarHBondContact NH2-O 3.26Å; E413-L417 PolarHBondContact O-N 3.09Å; E413-L417 VanDerWaalsContact O-N 3.1Å; I414-L417 PolarHBondContact O-N 3.29Å; I414-L417 VanDerWaalsContact O-N 3.1Å; L417-L445 HydrophobicContact CD1-CD1 4.07Å; L417-L445 HydrophobicContact CD2-CD1 3.87Å; L417-L445 HydrophobicContact CG-CD1 3.9Å |
| 418 | G | 82 | Confident | 87.6 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 24% | 0.237 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 27.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R332 E413 S416 | R332-G418 VanDerWaalsContact CZ-O 3.31Å; R332-G418 PolarHBondContact NH1-O 3.2Å; R332-G418 PolarHBondContact NH2-O 3.32Å; E413-G418 WeakPolarHBondContact O-CA 3.08Å; E413-G418 PolarHBondContact O-N 3.5Å; S416-G418 PolarHBondContact O-N 2.71Å |
| 419 | K | 84.9 | Confident | 87.2 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 154.4 | 167.9 | -79.3 | -177.8 | -177.1 | -170.6 | 0 | 111.1 | W412 S416 P421 | W412-K419 HydrophobicContact CH2-CB 3.91Å; W412-K419 HydrophobicContact CZ3-CB 4.07Å; S416-K419 WeakPolarHBondContact O-CG 3.41Å; S416-K419 PolarHBondContact O-N 3.42Å; K419-P421 WeakPolarHBondContact O-CD 3.35Å |
| 420 | M | 86 | Confident | 86.8 | Confident | 88 Ų | 88 | 63.3 Ų | 63.3 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 124.7 | 174.5 | -175.5 | 69.8 | 61.2 | 0 | 0 | 109.4 | W387 Y422 E423 | W387-M420 HydrophobicContact CH2-SD 4.01Å; M420-Y422 PolarHBondContact O-N 2.9Å; M420-E423 HydrophobicContact CB-CB 4.16Å; M420-E423 PolarHBondContact O-N 2.9Å |
| 421 | P | 89.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 138.6 | 172.7 | -23.1 | 33.7 | 0 | 0 | 0 | 110.4 | R386 W387 V409 W412 E413 K419 E423 L440 | R386-P421 HydrophobicContact CB-CB 4.32Å; R386-P421 WeakPolarHBondContact CD-O 3.35Å; R386-P421 PolarHBondContact NE-O 2.82Å; W387-P421 HydrophobicContact CH2-CG 4.22Å; W387-P421 HydrophobicContact CZ2-CG 3.79Å; V409-P421 HydrophobicContact CG1-CB 3.91Å; V409-P421 HydrophobicContact CG1-CG 3.54Å; W412-P421 HydrophobicContact CE3-CB 4.41Å; W412-P421 HydrophobicContact CE3-CG 4.19Å; W412-P421 HydrophobicContact CZ3-CB 4.27Å; W412-P421 HydrophobicContact CZ3-CG 4.14Å; E413-P421 HydrophobicContact CG-CG 3.89Å; K419-P421 WeakPolarHBondContact O-CD 3.35Å; P421-E423 VanDerWaalsContact C-N 3.26Å; P421-E423 PolarHBondContact O-N 3.42Å; P421-L440 HydrophobicContact CB-CD1 4.16Å; P421-L440 HydrophobicContact CB-CD2 4.1Å |
| 422 | Y | 90.8 | Very high | 86.1 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 38.9 | 179.2 | -48.8 | -80.4 | 0 | 0 | 0 | 113.6 | R386 M420 R424 F425 T430 I434 L438 L440 | R386-Y422 HydrophobicContact CB-CD2 4.21Å; R386-Y422 HydrophobicContact CG-CD2 4.44Å; M420-Y422 PolarHBondContact O-N 2.9Å; Y422-R424 PolarHBondContact O-N 3.27Å; Y422-F425 PolarHBondContact O-N 2.66Å; Y422-T430 HydrophobicContact CD1-CG2 4.33Å; Y422-T430 HydrophobicContact CD2-CG2 3.58Å; Y422-T430 HydrophobicContact CE2-CG2 4.13Å; Y422-T430 HydrophobicContact CG-CG2 3.68Å; Y422-I434 HydrophobicContact CD2-CD1 4.44Å; Y422-I434 HydrophobicContact CE1-CD1 4.46Å; Y422-I434 HydrophobicContact CE1-CG1 4.16Å; Y422-I434 HydrophobicContact CE2-CD1 3.75Å; Y422-I434 HydrophobicContact CE2-CG1 4.33Å; Y422-L438 HydrophobicContact CD1-CD2 4.11Å; Y422-L438 HydrophobicContact CE1-CD2 4.25Å; Y422-L438 HydrophobicContact CE1-CG 4.41Å; Y422-L440 HydrophobicContact CD1-CD2 3.75Å; Y422-L440 HydrophobicContact CD1-CG 4.41Å; Y422-L440 HydrophobicContact CD2-CD2 3.88Å; Y422-L440 HydrophobicContact CD2-CG 4.46Å; Y422-L440 HydrophobicContact CE1-CD2 3.69Å; Y422-L440 HydrophobicContact CE1-CG 3.84Å; Y422-L440 HydrophobicContact CE2-CD1 4.13Å; Y422-L440 HydrophobicContact CE2-CD2 3.81Å; Y422-L440 HydrophobicContact CE2-CG 3.88Å; Y422-L440 HydrophobicContact CG-CD2 3.86Å |
| 423 | E | 87.8 | Confident | 86 | Confident | 107 Ų | 107 | 69.4 Ų | 69.4 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -24 | -172.9 | 68.1 | -171.2 | 154 | 0 | 0 | 115.5 | M420 P421 F425 | M420-E423 HydrophobicContact CB-CB 4.16Å; M420-E423 PolarHBondContact O-N 2.9Å; P421-E423 VanDerWaalsContact C-N 3.26Å; P421-E423 PolarHBondContact O-N 3.42Å; E423-F425 VanDerWaalsContact C-N 3.3Å |
| 424 | R | 90.4 | Very high | 86 | Confident | 219 Ų | 219 | 67.7 Ų | 67.7 | 83% | 0.826 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -13.4 | 178.4 | -61.1 | -174.7 | -177.7 | -175.9 | 0.2 | 114.1 | Y422 | Y422-R424 PolarHBondContact O-N 3.27Š|
| 425 | F | 86.9 | Confident | 86 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -119.1 | 143 | -171.7 | -57.5 | -64.8 | 0 | 0 | 0 | 111 | R386 Y422 E423 E429 T430 H433 L438 | R386-F425 PolarHBondContact NH2-O 3.49Å; Y422-F425 PolarHBondContact O-N 2.66Å; E423-F425 VanDerWaalsContact C-N 3.3Å; F425-E429 HydrophobicContact CB-CB 4.04Å; F425-E429 HydrophobicContact CD1-CB 4.3Å; F425-T430 WeakPolarHBondContact CB-OG1 3.42Å; F425-H433 AromaticContact CD1-CD2 3.71Å; F425-H433 AromaticContact CD1-NE2 3.96Å; F425-H433 AromaticContact CE1-CD2 3.59Å; F425-H433 AromaticContact CE1-NE2 3.67Å; F425-H433 AromaticContact CZ-CD2 3.95Å; F425-L438 HydrophobicContact CD2-CD2 4.19Å; F425-L438 HydrophobicContact CE2-CD2 3.63Å; F425-L438 HydrophobicContact CZ-CD2 4.27Å |
| 426 | T | 81.8 | Confident | 86.1 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | trans | -65.8 | 168.3 | 165.2 | 64.9 | 0 | 0 | 0 | 0 | 110.5 | S428 E429 T430 | T426-S428 VanDerWaalsContact C-N 3.3Å; T426-S428 PolarHBondContact O-N 3.26Å; T426-E429 VanDerWaalsContact CB-OE2 3.31Å; T426-E429 WeakPolarHBondContact CB-OE2 3.26Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.39Å; T426-E429 PolarHBondContact N-OE2 2.91Å; T426-E429 PolarHBondContact O-N 3.34Å; T426-E429 VanDerWaalsContact OG1-CD 3.26Å; T426-E429 WeakPolarHBondContact OG1-CG 3.36Å; T426-E429 PolarHBondContact OG1-N 2.78Å; T426-E429 PolarHBondContact OG1-OE2 3.3Å; T426-T430 VanDerWaalsContact O-CB 3.3Å; T426-T430 WeakPolarHBondContact O-CB 3.38Å; T426-T430 PolarHBondContact O-N 3.07Å; T426-T430 PolarHBondContact O-OG1 2.87Å | ||
| 427 | N | 76.5 | Confident | 86.3 | Confident | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 177 | -82.7 | 5.3 | 0 | 0 | 0 | 112.1 | V385 R386 T430 A431 | V385-N427 HydrophobicContact CB-CB 4.06Å; V385-N427 HydrophobicContact CG1-CB 4.15Å; V385-N427 VanDerWaalsContact CG1-O 3.29Å; V385-N427 WeakPolarHBondContact CG1-O 3.4Å; V385-N427 HydrophobicContact CG2-CB 3.95Å; R386-N427 PolarHBondContact NH1-OD1 2.86Å; N427-T430 PolarHBondContact O-N 2.82Å; N427-A431 PolarHBondContact O-N 3.14Å |
| 428 | S | 76.9 | Confident | 86.7 | Confident | 99 Ų | 99 | 65.1 Ų | 65.1 | 69% | 0.692 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.8 | -47.7 | -179.6 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | T426 T430 A431 E432 | T426-S428 VanDerWaalsContact C-N 3.3Å; T426-S428 PolarHBondContact O-N 3.26Å; S428-T430 VanDerWaalsContact C-N 3.33Å; S428-T430 PolarHBondContact O-N 3.35Å; S428-A431 PolarHBondContact O-N 3.34Å; S428-E432 PolarHBondContact O-N 2.87Å; S428-E432 VanDerWaalsContact O-N 3.17Å |
| 429 | E | 85.8 | Confident | 87.4 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.5 | -67.3 | 161.6 | 147.3 | 0 | 0 | 111.7 | F425 T426 A431 E432 H433 | F425-E429 HydrophobicContact CB-CB 4.04Å; F425-E429 HydrophobicContact CD1-CB 4.3Å; T426-E429 VanDerWaalsContact CB-OE2 3.31Å; T426-E429 WeakPolarHBondContact CB-OE2 3.26Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.39Å; T426-E429 PolarHBondContact N-OE2 2.91Å; T426-E429 PolarHBondContact O-N 3.34Å; T426-E429 VanDerWaalsContact OG1-CD 3.26Å; T426-E429 WeakPolarHBondContact OG1-CG 3.36Å; T426-E429 PolarHBondContact OG1-N 2.78Å; T426-E429 PolarHBondContact OG1-OE2 3.3Å; E429-A431 VanDerWaalsContact C-N 3.3Å; E429-A431 PolarHBondContact O-N 3.11Å; E429-E432 PolarHBondContact O-N 2.81Å; E429-H433 WeakPolarHBondContact O-CB 3.46Å; E429-H433 PolarHBondContact O-CD2 2.89Å; E429-H433 VanDerWaalsContact O-CD2 3.31Å; E429-H433 PolarHBondContact O-N 2.96Å |
| 430 | T | 84.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.2 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | R386 Y422 F425 T426 N427 S428 E432 H433 I434 | R386-T430 HydrophobicContact CG-CG2 4.1Å; Y422-T430 HydrophobicContact CD1-CG2 4.33Å; Y422-T430 HydrophobicContact CD2-CG2 3.58Å; Y422-T430 HydrophobicContact CE2-CG2 4.13Å; Y422-T430 HydrophobicContact CG-CG2 3.68Å; F425-T430 WeakPolarHBondContact CB-OG1 3.42Å; T426-T430 VanDerWaalsContact O-CB 3.3Å; T426-T430 WeakPolarHBondContact O-CB 3.38Å; T426-T430 PolarHBondContact O-N 3.07Å; T426-T430 PolarHBondContact O-OG1 2.87Å; N427-T430 PolarHBondContact O-N 2.82Å; S428-T430 VanDerWaalsContact C-N 3.33Å; S428-T430 PolarHBondContact O-N 3.35Å; T430-E432 PolarHBondContact O-N 2.74Å; T430-H433 PolarHBondContact O-N 3.46Å; T430-I434 HydrophobicContact CG2-CD1 3.55Å; T430-I434 HydrophobicContact CG2-CG1 4.16Å; T430-I434 WeakPolarHBondContact O-CB 3.48Å; T430-I434 VanDerWaalsContact O-CG1 3.23Å; T430-I434 WeakPolarHBondContact O-CG1 3.32Å; T430-I434 PolarHBondContact O-N 3.04Å |
| 431 | A | 82 | Confident | 88.5 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 22% | 0.223 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V385 L393 N427 S428 E429 A435 | V385-A431 HydrophobicContact CG1-CB 4.08Å; L393-A431 HydrophobicContact CD1-CB 3.94Å; L393-A431 HydrophobicContact CD2-CB 4.39Å; N427-A431 PolarHBondContact O-N 3.14Å; S428-A431 PolarHBondContact O-N 3.34Å; E429-A431 VanDerWaalsContact C-N 3.3Å; E429-A431 PolarHBondContact O-N 3.11Å; A431-A435 WeakPolarHBondContact O-CB 3.37Å; A431-A435 PolarHBondContact O-N 2.97Å |
| 432 | E | 85.8 | Confident | 88.8 | Confident | 113 Ų | 113 | 68.6 Ų | 68.6 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 176.5 | -176.3 | 178 | 178.1 | 0 | 0 | 112.1 | S428 E429 T430 A435 Q436 | S428-E432 PolarHBondContact O-N 2.87Å; S428-E432 VanDerWaalsContact O-N 3.17Å; E429-E432 PolarHBondContact O-N 2.81Å; T430-E432 PolarHBondContact O-N 2.74Å; E432-A435 WeakPolarHBondContact O-CB 3.16Å; E432-A435 PolarHBondContact O-N 3.24Å; E432-Q436 WeakPolarHBondContact O-CG 3.26Å; E432-Q436 PolarHBondContact O-N 2.93Å; E432-Q436 VanDerWaalsContact O-N 3.11Å; E432-Q436 PolarHBondContact OE1-NE2 3.01Å |
| 433 | H | 91.3 | Very high | 89 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 25% | 0.25 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.5 | -36.5 | -178.2 | -68.6 | -36.3 | 0 | 0 | 0 | 113.1 | F425 E429 T430 A435 Q436 G437 L438 | F425-H433 AromaticContact CD1-CD2 3.71Å; F425-H433 AromaticContact CD1-NE2 3.96Å; F425-H433 AromaticContact CE1-CD2 3.59Å; F425-H433 AromaticContact CE1-NE2 3.67Å; F425-H433 AromaticContact CZ-CD2 3.95Å; E429-H433 WeakPolarHBondContact O-CB 3.46Å; E429-H433 PolarHBondContact O-CD2 2.89Å; E429-H433 VanDerWaalsContact O-CD2 3.31Å; E429-H433 PolarHBondContact O-N 2.96Å; T430-H433 PolarHBondContact O-N 3.46Å; H433-A435 VanDerWaalsContact C-N 3.25Å; H433-A435 PolarHBondContact O-N 3.23Å; H433-Q436 PolarHBondContact ND1-OE1 2.79Å; H433-Q436 VanDerWaalsContact ND1-OE1 3.12Å; H433-Q436 CarbonylContact O-C 3.51Å; H433-Q436 PolarHBondContact O-N 3.21Å; H433-Q436 VanDerWaalsContact O-N 3.1Å; H433-G437 PolarHBondContact O-N 3.02Å; H433-L438 HydrophobicContact CB-CB 3.78Å; H433-L438 HydrophobicContact CB-CD2 3.55Å; H433-L438 HydrophobicContact CB-CG 4.29Å; H433-L438 WeakPolarHBondContact O-CB 3.47Å; H433-L438 PolarHBondContact O-N 2.79Å |
| 434 | I | 90.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 173.8 | -76.6 | 173.6 | 0 | 0 | 0 | 110.5 | P390 L393 W405 Y422 T430 Q436 G437 R439 | P390-I434 HydrophobicContact CG-CG2 3.81Å; L393-I434 HydrophobicContact CD1-CD1 4.5Å; L393-I434 HydrophobicContact CD1-CG2 4.25Å; W405-I434 HydrophobicContact CH2-CG2 3.84Å; W405-I434 HydrophobicContact CZ2-CG2 3.62Å; Y422-I434 HydrophobicContact CD2-CD1 4.44Å; Y422-I434 HydrophobicContact CE1-CD1 4.46Å; Y422-I434 HydrophobicContact CE1-CG1 4.16Å; Y422-I434 HydrophobicContact CE2-CD1 3.75Å; Y422-I434 HydrophobicContact CE2-CG1 4.33Å; T430-I434 HydrophobicContact CG2-CD1 3.55Å; T430-I434 HydrophobicContact CG2-CG1 4.16Å; T430-I434 WeakPolarHBondContact O-CB 3.48Å; T430-I434 VanDerWaalsContact O-CG1 3.23Å; T430-I434 WeakPolarHBondContact O-CG1 3.32Å; T430-I434 PolarHBondContact O-N 3.04Å; I434-Q436 VanDerWaalsContact C-N 3.3Å; I434-Q436 PolarHBondContact O-N 3.21Å; I434-G437 PolarHBondContact O-N 2.84Å; I434-G437 VanDerWaalsContact O-N 3.15Å; I434-R439 PolarHBondContact O-NH1 3.18Å |
| 435 | A | 86.1 | Confident | 89.3 | Confident | 32 Ų | 32 | 66.1 Ų | 66.1 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -33 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M394 A431 E432 H433 G437 | M394-A435 HydrophobicContact CE-CB 3.14Å; A431-A435 WeakPolarHBondContact O-CB 3.37Å; A431-A435 PolarHBondContact O-N 2.97Å; E432-A435 WeakPolarHBondContact O-CB 3.16Å; E432-A435 PolarHBondContact O-N 3.24Å; H433-A435 VanDerWaalsContact C-N 3.25Å; H433-A435 PolarHBondContact O-N 3.23Å; A435-G437 PolarHBondContact O-N 3.39Å |
| 436 | Q | 92.3 | Very high | 89.6 | Confident | 128 Ų | 128 | 63.3 Ų | 63.3 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.3 | 176.2 | -68.3 | 166 | -5.5 | 0 | 0 | 113.6 | E432 H433 I434 | E432-Q436 WeakPolarHBondContact O-CG 3.26Å; E432-Q436 PolarHBondContact O-N 2.93Å; E432-Q436 VanDerWaalsContact O-N 3.11Å; E432-Q436 PolarHBondContact OE1-NE2 3.01Å; H433-Q436 PolarHBondContact ND1-OE1 2.79Å; H433-Q436 VanDerWaalsContact ND1-OE1 3.12Å; H433-Q436 CarbonylContact O-C 3.51Å; H433-Q436 PolarHBondContact O-N 3.21Å; H433-Q436 VanDerWaalsContact O-N 3.1Å; I434-Q436 VanDerWaalsContact C-N 3.3Å; I434-Q436 PolarHBondContact O-N 3.21Å |
| 437 | G | 92.6 | Very high | 90.2 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.3 | 4.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | H433 I434 A435 R439 | H433-G437 PolarHBondContact O-N 3.02Å; I434-G437 PolarHBondContact O-N 2.84Å; I434-G437 VanDerWaalsContact O-N 3.15Å; A435-G437 PolarHBondContact O-N 3.39Å; G437-R439 VanDerWaalsContact C-NH1 3.31Å; G437-R439 PolarHBondContact O-N 3.03Å; G437-R439 PolarHBondContact O-NH1 2.93Å |
| 438 | L | 95.8 | Very high | 91.1 | Very high | 64 Ų | 64 | 65.4 Ų | 65.4 | 34% | 0.335 | 34% | 0.337 | S | S | . | . | trans | -61.3 | 133.2 | 173.2 | -176.3 | 69.5 | 0 | 0 | 0 | 110.2 | Y422 F425 H433 | Y422-L438 HydrophobicContact CD1-CD2 4.11Å; Y422-L438 HydrophobicContact CE1-CD2 4.25Å; Y422-L438 HydrophobicContact CE1-CG 4.41Å; F425-L438 HydrophobicContact CD2-CD2 4.19Å; F425-L438 HydrophobicContact CE2-CD2 3.63Å; F425-L438 HydrophobicContact CZ-CD2 4.27Å; H433-L438 HydrophobicContact CB-CB 3.78Å; H433-L438 HydrophobicContact CB-CD2 3.55Å; H433-L438 HydrophobicContact CB-CG 4.29Å; H433-L438 WeakPolarHBondContact O-CB 3.47Å; H433-L438 PolarHBondContact O-N 2.79Å | ||
| 439 | R | 97.2 | Very high | 91.9 | Very high | 36 Ų | 36 | 65.8 Ų | 65.8 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | trans | -125.8 | 157.7 | 174.2 | -60.8 | -59.3 | 179 | -95.3 | 0.1 | 110.3 | I434 G437 Y455 W458 | I434-R439 PolarHBondContact O-NH1 3.18Å; G437-R439 VanDerWaalsContact C-NH1 3.31Å; G437-R439 PolarHBondContact O-N 3.03Å; G437-R439 PolarHBondContact O-NH1 2.93Å; R439-Y455 HydrophobicContact CB-CD2 4.46Å; R439-Y455 HydrophobicContact CB-CE2 3.73Å; R439-Y455 HydrophobicContact CG-CE2 3.95Å; R439-W458 HydrophobicContact CB-CE3 4.31Å; R439-W458 PolarHBondContact NE-O 3.2Å; R439-W458 PolarHBondContact NH2-O 2.82Å; R439-W458 VanDerWaalsContact NH2-O 3.15Å | ||
| 440 | L | 96.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 141.4 | 175.8 | -69.1 | 165.2 | 0 | 0 | 0 | 109.5 | V409 W412 P421 Y422 Y451 W458 | V409-L440 HydrophobicContact CG1-CD1 4.17Å; V409-L440 HydrophobicContact CG2-CD1 4.24Å; W412-L440 HydrophobicContact CB-CD1 4.01Å; W412-L440 HydrophobicContact CD2-CB 4.36Å; W412-L440 HydrophobicContact CD2-CD1 3.83Å; W412-L440 HydrophobicContact CD2-CD2 4.31Å; W412-L440 HydrophobicContact CD2-CG 4.39Å; W412-L440 HydrophobicContact CE3-CD1 4.21Å; W412-L440 HydrophobicContact CG-CB 4.07Å; W412-L440 HydrophobicContact CG-CD1 3.71Å; W412-L440 HydrophobicContact CG-CG 4.39Å; W412-L440 HydrophobicContact CZ2-CD2 4.26Å; P421-L440 HydrophobicContact CB-CD1 4.16Å; P421-L440 HydrophobicContact CB-CD2 4.1Å; Y422-L440 HydrophobicContact CD1-CD2 3.75Å; Y422-L440 HydrophobicContact CD1-CG 4.41Å; Y422-L440 HydrophobicContact CD2-CD2 3.88Å; Y422-L440 HydrophobicContact CD2-CG 4.46Å; Y422-L440 HydrophobicContact CE1-CD2 3.69Å; Y422-L440 HydrophobicContact CE1-CG 3.84Å; Y422-L440 HydrophobicContact CE2-CD1 4.13Å; Y422-L440 HydrophobicContact CE2-CD2 3.81Å; Y422-L440 HydrophobicContact CE2-CG 3.88Å; Y422-L440 HydrophobicContact CG-CD2 3.86Å; L440-Y451 PolarHBondContact O-OH 2.87Å; L440-W458 HydrophobicContact CB-CH2 3.68Å; L440-W458 HydrophobicContact CB-CZ2 4.37Å; L440-W458 HydrophobicContact CB-CZ3 3.9Å; L440-W458 HydrophobicContact CD1-CH2 3.88Å; L440-W458 HydrophobicContact CD1-CZ2 3.75Å; L440-W458 HydrophobicContact CG-CH2 4.29Å |
| 441 | Y | 96.8 | Very high | 92.9 | Very high | 109 Ų | 109 | 64.3 Ų | 64.3 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 161.2 | 177.7 | 64.7 | -91.1 | 0 | 0 | 0 | 111.6 | W412 P443 | W412-Y441 VanDerWaalsContact CD1-O 3.28Å; W412-Y441 HydrophobicContact CZ2-CD1 4.45Å; W412-Y441 AromaticContact CZ2-CE1 3.75Å; W412-Y441 HydrophobicContact CZ2-CE1 3.75Å; W412-Y441 HydrophobicContact CZ2-CE2 4.38Å; W412-Y441 AromaticContact CZ2-CZ 3.7Å; W412-Y441 PolarHBondContact NE1-O 3.28Å; Y441-P443 VanDerWaalsContact O-CD 3.27Å; Y441-P443 WeakPolarHBondContact O-CD 3.37Å |
| 442 | R | 97.4 | Very high | 93.6 | Very high | 104 Ų | 104 | 67.4 Ų | 67.4 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 118.1 | 175 | -176.4 | 172.9 | 74 | 79 | -2.4 | 111.9 | A446 Y451 | R442-A446 HydrophobicContact CG-CB 4.39Å; R442-A446 PolarHBondContact NH1-O 3.1Å; R442-Y451 VanDerWaalsContact CA-CD2 3.48Å; R442-Y451 HydrophobicContact CB-CD1 3.97Å; R442-Y451 HydrophobicContact CB-CD2 3.6Å; R442-Y451 HydrophobicContact CB-CE1 4.1Å; R442-Y451 HydrophobicContact CB-CE2 3.75Å; R442-Y451 HydrophobicContact CB-CG 3.71Å; R442-Y451 HydrophobicContact CG-CD1 4.19Å; R442-Y451 HydrophobicContact CG-CD2 3.74Å; R442-Y451 HydrophobicContact CG-CE2 4.4Å; R442-Y451 HydrophobicContact CG-CG 3.6Å |
| 443 | P | 93.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.019 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 147.8 | 172.3 | -21.2 | 33.3 | 0 | 0 | 0 | 111.6 | W412 Y415 S416 Y441 L445 A446 | W412-P443 VanDerWaalsContact CD1-CG 3.48Å; W412-P443 HydrophobicContact CG-CG 4.1Å; Y415-P443 WeakPolarHBondContact O-CB 3.26Å; S416-P443 WeakPolarHBondContact OG-CB 3.27Å; S416-P443 VanDerWaalsContact OG-CG 3.3Å; S416-P443 WeakPolarHBondContact OG-CG 3.35Å; Y441-P443 VanDerWaalsContact O-CD 3.27Å; Y441-P443 WeakPolarHBondContact O-CD 3.37Å; P443-L445 PolarHBondContact O-N 2.95Å; P443-A446 HydrophobicContact CB-CB 4.23Å; P443-A446 HydrophobicContact CG-CB 4.33Å; P443-A446 PolarHBondContact O-N 2.89Å |
| 444 | H | 92.6 | Very high | 94.3 | Very high | 173 Ų | 173 | 60 Ų | 60 | 80% | 0.801 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -32.8 | -179.1 | -67.5 | -61 | 0 | 0 | 0 | 113.6 | A446 | H444-A446 VanDerWaalsContact C-N 3.34Š|
| 445 | L | 92.1 | Very high | 94.6 | Very high | 112 Ų | 112 | 65.3 Ų | 65.3 | 59% | 0.586 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -11.4 | 179.2 | -61.2 | 176.9 | 0 | 0 | 0 | 113.6 | Y415 L417 P443 | Y415-L445 HydrophobicContact CD1-CB 4.26Å; Y415-L445 WeakPolarHBondContact CD1-O 3.33Å; L417-L445 HydrophobicContact CD1-CD1 4.07Å; L417-L445 HydrophobicContact CD2-CD1 3.87Å; L417-L445 HydrophobicContact CG-CD1 3.9Å; P443-L445 PolarHBondContact O-N 2.95Å |
| 446 | A | 93.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -89.7 | 122.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y415 R442 P443 H444 V450 M454 | Y415-A446 HydrophobicContact CD1-CB 3.81Å; Y415-A446 HydrophobicContact CE1-CB 4.48Å; Y415-A446 HydrophobicContact CG-CB 3.93Å; R442-A446 HydrophobicContact CG-CB 4.39Å; R442-A446 PolarHBondContact NH1-O 3.1Å; P443-A446 HydrophobicContact CB-CB 4.23Å; P443-A446 HydrophobicContact CG-CB 4.33Å; P443-A446 PolarHBondContact O-N 2.89Å; H444-A446 VanDerWaalsContact C-N 3.34Å; A446-V450 HydrophobicContact CB-CB 4.44Å; A446-V450 HydrophobicContact CB-CG1 4Å; A446-M454 HydrophobicContact CB-CE 3.88Å |
| 447 | S | 94.5 | Very high | 95.4 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | trans | -62.8 | 165.4 | 169.4 | 72.5 | 0 | 0 | 0 | 0 | 111.3 | K449 V450 Y451 | S447-K449 VanDerWaalsContact C-N 3.25Å; S447-K449 PolarHBondContact O-N 2.83Å; S447-V450 PolarHBondContact O-N 2.86Å; S447-V450 WeakPolarHBondContact OG-CG2 3.34Å; S447-V450 PolarHBondContact OG-N 3.08Å; S447-Y451 WeakPolarHBondContact O-CB 3.45Å; S447-Y451 PolarHBondContact O-N 2.79Å | ||
| 448 | E | 94.6 | Very high | 95.6 | Very high | 149 Ų | 149 | 57.7 Ų | 57.7 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.7 | -34.7 | 177.1 | -70.5 | -165.5 | 162.6 | 0 | 0 | 112.7 | Y451 T452 | E448-Y451 PolarHBondContact O-N 2.82Å; E448-T452 WeakPolarHBondContact O-CB 3.41Å; E448-T452 PolarHBondContact O-N 2.9Å; E448-T452 PolarHBondContact O-OG1 3.17Å |
| 449 | K | 94.2 | Very high | 95.7 | Very high | 106 Ų | 106 | 58.6 Ų | 58.6 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.1 | -49.1 | 175.9 | -65.8 | -170.9 | -179.5 | -177.1 | 0 | 111.2 | S447 Y451 T452 I453 V478 E481 | S447-K449 VanDerWaalsContact C-N 3.25Å; S447-K449 PolarHBondContact O-N 2.83Å; K449-Y451 VanDerWaalsContact C-N 3.28Å; K449-Y451 PolarHBondContact O-N 3.28Å; K449-T452 WeakPolarHBondContact O-CB 3.46Å; K449-T452 PolarHBondContact O-N 3.05Å; K449-I453 WeakPolarHBondContact O-CG1 3.17Å; K449-I453 PolarHBondContact O-N 2.81Å; K449-I453 VanDerWaalsContact O-N 3.14Å; K449-V478 HydrophobicContact CB-CG2 3.91Å; K449-V478 HydrophobicContact CD-CG2 4.47Å; K449-E481 VanDerWaalsContact CD-OE2 3.27Å; K449-E481 WeakPolarHBondContact CD-OE2 3.36Å; K449-E481 WeakPolarHBondContact CE-OE2 3.47Å; K449-E481 IonicContact NZ-OE1 2.97Å; K449-E481 PolarHBondContact NZ-OE1 3.09Å; K449-E481 IonicContact NZ-OE2 3.38Å; K449-E481 PolarHBondContact NZ-OE2 2.92Å |
| 450 | V | 94.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | Y415 A446 S447 I453 M454 V478 | Y415-V450 HydrophobicContact CD1-CG1 4.29Å; Y415-V450 HydrophobicContact CD2-CG1 3.84Å; Y415-V450 HydrophobicContact CE1-CG1 3.83Å; Y415-V450 HydrophobicContact CE2-CG1 3.35Å; Y415-V450 HydrophobicContact CG-CG1 4.29Å; A446-V450 HydrophobicContact CB-CB 4.44Å; A446-V450 HydrophobicContact CB-CG1 4Å; S447-V450 PolarHBondContact O-N 2.86Å; S447-V450 WeakPolarHBondContact OG-CG2 3.34Å; S447-V450 PolarHBondContact OG-N 3.08Å; V450-I453 WeakPolarHBondContact O-CB 3.4Å; V450-I453 PolarHBondContact O-N 2.91Å; V450-M454 HydrophobicContact CG1-CE 3.75Å; V450-M454 PolarHBondContact O-N 2.92Å; V450-M454 VanDerWaalsContact O-N 3.16Å; V450-V478 HydrophobicContact CG2-CG1 3.92Å |
| 451 | Y | 97.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 69 Ų | 69 | 18% | 0.18 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | 178.2 | -175.1 | -112.7 | 0 | 0 | 0 | 112.2 | L440 R442 S447 E448 K449 I453 M454 Y455 W458 | L440-Y451 PolarHBondContact O-OH 2.87Å; R442-Y451 VanDerWaalsContact CA-CD2 3.48Å; R442-Y451 HydrophobicContact CB-CD1 3.97Å; R442-Y451 HydrophobicContact CB-CD2 3.6Å; R442-Y451 HydrophobicContact CB-CE1 4.1Å; R442-Y451 HydrophobicContact CB-CE2 3.75Å; R442-Y451 HydrophobicContact CB-CG 3.71Å; R442-Y451 HydrophobicContact CG-CD1 4.19Å; R442-Y451 HydrophobicContact CG-CD2 3.74Å; R442-Y451 HydrophobicContact CG-CE2 4.4Å; R442-Y451 HydrophobicContact CG-CG 3.6Å; S447-Y451 WeakPolarHBondContact O-CB 3.45Å; S447-Y451 PolarHBondContact O-N 2.79Å; E448-Y451 PolarHBondContact O-N 2.82Å; K449-Y451 VanDerWaalsContact C-N 3.28Å; K449-Y451 PolarHBondContact O-N 3.28Å; Y451-I453 VanDerWaalsContact C-N 3.26Å; Y451-I453 PolarHBondContact O-N 2.85Å; Y451-M454 HydrophobicContact CD2-CG 3.87Å; Y451-M454 HydrophobicContact CD2-SD 3.72Å; Y451-M454 HydrophobicContact CE2-CG 4.41Å; Y451-M454 HydrophobicContact CE2-SD 4.27Å; Y451-M454 VanDerWaalsContact O-CG 3.25Å; Y451-M454 WeakPolarHBondContact O-CG 2.9Å; Y451-M454 PolarHBondContact O-N 2.64Å; Y451-Y455 AromaticContact CE1-CD2 3.91Å; Y451-Y455 HydrophobicContact CE1-CD2 3.91Å; Y451-Y455 HydrophobicContact CE1-CG 4.39Å; Y451-Y455 HydrophobicContact CE2-CD2 4.4Å; Y451-Y455 AromaticContact CZ-CD2 3.65Å; Y451-Y455 WeakPolarHBondContact O-CB 3.4Å; Y451-Y455 PolarHBondContact O-N 3.3Å; Y451-Y455 WeakPolarHBondContact OH-CD2 3.18Å; Y451-W458 HydrophobicContact CE2-CZ3 4.45Å |
| 452 | T | 97.3 | Very high | 95 | Very high | 93 Ų | 93 | 65 Ų | 65 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.4 | -40.7 | 174.2 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | E448 K449 Y455 S456 | E448-T452 WeakPolarHBondContact O-CB 3.41Å; E448-T452 PolarHBondContact O-N 2.9Å; E448-T452 PolarHBondContact O-OG1 3.17Å; K449-T452 WeakPolarHBondContact O-CB 3.46Å; K449-T452 PolarHBondContact O-N 3.05Å; T452-Y455 PolarHBondContact O-N 3.23Å; T452-S456 WeakPolarHBondContact O-CB 3.37Å; T452-S456 PolarHBondContact O-N 3.14Å |
| 453 | I | 95.6 | Very high | 94.8 | Very high | 11 Ų | 11 | 65.5 Ų | 65.5 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -54.6 | 176.6 | -61.9 | 169.7 | 0 | 0 | 0 | 110.8 | M411 K449 V450 Y451 Y455 S456 C457 L471 N474 I475 V478 | M411-I453 HydrophobicContact CE-CB 4.28Å; M411-I453 HydrophobicContact CE-CG2 3.86Å; M411-I453 HydrophobicContact SD-CG2 4Å; K449-I453 WeakPolarHBondContact O-CG1 3.17Å; K449-I453 PolarHBondContact O-N 2.81Å; K449-I453 VanDerWaalsContact O-N 3.14Å; V450-I453 WeakPolarHBondContact O-CB 3.4Å; V450-I453 PolarHBondContact O-N 2.91Å; Y451-I453 VanDerWaalsContact C-N 3.26Å; Y451-I453 PolarHBondContact O-N 2.85Å; I453-Y455 VanDerWaalsContact C-N 3.29Å; I453-Y455 PolarHBondContact O-N 3.11Å; I453-S456 PolarHBondContact O-N 3.01Å; I453-S456 PolarHBondContact O-OG 3.03Å; I453-C457 PolarHBondContact O-SG 2.96Å; I453-L471 HydrophobicContact CG2-CD2 3.74Å; I453-N474 HydrophobicContact CD1-CB 3.88Å; I453-N474 WeakPolarHBondContact CD1-O 3.22Å; I453-N474 HydrophobicContact CG1-CB 3.96Å; I453-I475 HydrophobicContact CD1-CG1 4.33Å; I453-I475 HydrophobicContact CG2-CG1 4.29Å; I453-V478 HydrophobicContact CD1-CG2 3.82Å |
| 454 | M | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.7 | -34.8 | -179.9 | 70.3 | -178.9 | 76.3 | 0 | 0 | 112.1 | M411 W412 Y415 A446 V450 Y451 C457 W458 | M411-M454 HydrophobicContact CB-CB 3.88Å; M411-M454 HydrophobicContact CB-CE 4.44Å; M411-M454 HydrophobicContact CE-CB 4.46Å; M411-M454 HydrophobicContact SD-CB 4.02Å; W412-M454 HydrophobicContact CB-SD 4.05Å; Y415-M454 HydrophobicContact CD2-CE 4.04Å; Y415-M454 HydrophobicContact CG-CE 4.37Å; A446-M454 HydrophobicContact CB-CE 3.88Å; V450-M454 HydrophobicContact CG1-CE 3.75Å; V450-M454 PolarHBondContact O-N 2.92Å; V450-M454 VanDerWaalsContact O-N 3.16Å; Y451-M454 HydrophobicContact CD2-CG 3.87Å; Y451-M454 HydrophobicContact CD2-SD 3.72Å; Y451-M454 HydrophobicContact CE2-CG 4.41Å; Y451-M454 HydrophobicContact CE2-SD 4.27Å; Y451-M454 VanDerWaalsContact O-CG 3.25Å; Y451-M454 WeakPolarHBondContact O-CG 2.9Å; Y451-M454 PolarHBondContact O-N 2.64Å; M454-C457 VanDerWaalsContact O-CB 3.23Å; M454-C457 WeakPolarHBondContact O-CB 3.38Å; M454-C457 PolarHBondContact O-N 3.44Å; M454-W458 HydrophobicContact CB-CH2 4.43Å; M454-W458 HydrophobicContact CG-CH2 4.09Å; M454-W458 HydrophobicContact CG-CZ3 4.38Å; M454-W458 HydrophobicContact SD-CH2 4.18Å |
| 455 | Y | 97.6 | Very high | 95.1 | Very high | 112 Ų | 112 | 62.9 Ų | 62.9 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.1 | -36.5 | -180 | -165.6 | -89.9 | 0 | 0 | 0 | 112.3 | R439 Y451 T452 I453 C457 W458 | R439-Y455 HydrophobicContact CB-CD2 4.46Å; R439-Y455 HydrophobicContact CB-CE2 3.73Å; R439-Y455 HydrophobicContact CG-CE2 3.95Å; Y451-Y455 AromaticContact CE1-CD2 3.91Å; Y451-Y455 HydrophobicContact CE1-CD2 3.91Å; Y451-Y455 HydrophobicContact CE1-CG 4.39Å; Y451-Y455 HydrophobicContact CE2-CD2 4.4Å; Y451-Y455 AromaticContact CZ-CD2 3.65Å; Y451-Y455 WeakPolarHBondContact O-CB 3.4Å; Y451-Y455 PolarHBondContact O-N 3.3Å; Y451-Y455 WeakPolarHBondContact OH-CD2 3.18Å; T452-Y455 PolarHBondContact O-N 3.23Å; I453-Y455 VanDerWaalsContact C-N 3.29Å; I453-Y455 PolarHBondContact O-N 3.11Å; Y455-C457 PolarHBondContact O-N 3Å; Y455-C457 VanDerWaalsContact O-N 3.14Å; Y455-W458 HydrophobicContact CD2-CE3 4.05Å; Y455-W458 HydrophobicContact CD2-CZ3 4.27Å; Y455-W458 PolarHBondContact O-N 3.34Å |
| 456 | S | 97 | Very high | 95.1 | Very high | 40 Ų | 40 | 58.3 Ų | 58.3 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.7 | -25.6 | 174.9 | 74.4 | 0 | 0 | 0 | 0 | 113 | T452 I453 W458 P466 | T452-S456 WeakPolarHBondContact O-CB 3.37Å; T452-S456 PolarHBondContact O-N 3.14Å; I453-S456 PolarHBondContact O-N 3.01Å; I453-S456 PolarHBondContact O-OG 3.03Å; S456-W458 PolarHBondContact O-N 3.09Å; S456-P466 VanDerWaalsContact O-CD 3.27Å; S456-P466 WeakPolarHBondContact O-CD 3.42Å |
| 457 | C | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.5 | 175.7 | -59 | 0 | 0 | 0 | 0 | 113.3 | I404 I453 M454 Y455 R465 | I404-C457 HydrophobicContact CG2-CB 3.89Å; I404-C457 WeakPolarHBondContact O-CB 3.44Å; I453-C457 PolarHBondContact O-SG 2.96Å; M454-C457 VanDerWaalsContact O-CB 3.23Å; M454-C457 WeakPolarHBondContact O-CB 3.38Å; M454-C457 PolarHBondContact O-N 3.44Å; Y455-C457 PolarHBondContact O-N 3Å; Y455-C457 VanDerWaalsContact O-N 3.14Å; C457-R465 VanDerWaalsContact O-CD 3.31Å; C457-R465 WeakPolarHBondContact O-CD 3.43Å |
| 458 | W | 97.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 1% | 0.011 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 24.9 | -174.8 | -50.8 | -42 | 0 | 0 | 0 | 113.9 | W405 G408 V409 W412 R439 L440 Y451 M454 Y455 S456 E460 | W405-W458 HydrophobicContact CD2-CB 4.4Å; W405-W458 AromaticContact CD2-CD1 3.57Å; W405-W458 HydrophobicContact CD2-CG 4.33Å; W405-W458 AromaticContact CE2-CD1 3.7Å; W405-W458 HydrophobicContact CE3-CB 4.01Å; W405-W458 AromaticContact CE3-CD1 3.99Å; W405-W458 HydrophobicContact CE3-CG 4.41Å; W405-W458 AromaticContact CG-CD1 3.82Å; W405-W458 HydrophobicContact CH2-CB 3.99Å; W405-W458 HydrophobicContact CZ2-CB 4.38Å; W405-W458 HydrophobicContact CZ2-CG 4.45Å; W405-W458 HydrophobicContact CZ3-CB 3.8Å; W405-W458 WeakPolarHBondContact CZ3-O 3.49Å; W405-W458 AromaticContact NE1-CD1 4Å; W405-W458 PolarHBondContact O-NE1 2.83Å; G408-W458 VanDerWaalsContact O-CZ2 3.25Å; G408-W458 WeakPolarHBondContact O-CZ2 3.17Å; V409-W458 HydrophobicContact CG2-CZ2 4.21Å; W412-W458 HydrophobicContact CB-CH2 4Å; W412-W458 HydrophobicContact CB-CZ2 4.13Å; W412-W458 HydrophobicContact CG-CH2 4.35Å; R439-W458 HydrophobicContact CB-CE3 4.31Å; R439-W458 PolarHBondContact NE-O 3.2Å; R439-W458 PolarHBondContact NH2-O 2.82Å; R439-W458 VanDerWaalsContact NH2-O 3.15Å; L440-W458 HydrophobicContact CB-CH2 3.68Å; L440-W458 HydrophobicContact CB-CZ2 4.37Å; L440-W458 HydrophobicContact CB-CZ3 3.9Å; L440-W458 HydrophobicContact CD1-CH2 3.88Å; L440-W458 HydrophobicContact CD1-CZ2 3.75Å; L440-W458 HydrophobicContact CG-CH2 4.29Å; Y451-W458 HydrophobicContact CE2-CZ3 4.45Å; M454-W458 HydrophobicContact CB-CH2 4.43Å; M454-W458 HydrophobicContact CG-CH2 4.09Å; M454-W458 HydrophobicContact CG-CZ3 4.38Å; M454-W458 HydrophobicContact SD-CH2 4.18Å; Y455-W458 HydrophobicContact CD2-CE3 4.05Å; Y455-W458 HydrophobicContact CD2-CZ3 4.27Å; Y455-W458 PolarHBondContact O-N 3.34Å; S456-W458 PolarHBondContact O-N 3.09Å; W458-E460 PolarHBondContact O-N 2.8Å |
| 459 | H | 97.3 | Very high | 93.5 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | trans | -58.1 | 138.8 | 169.8 | -165.6 | -83.2 | 0 | 0 | 0 | 110.3 | K461 E464 R465 | H459-K461 PolarHBondContact ND1-N 3.28Å; H459-K461 VanDerWaalsContact ND1-N 3.11Å; H459-K461 PolarHBondContact ND1-O 3.11Å; H459-K461 VanDerWaalsContact ND1-O 3.14Å; H459-E464 HydrophobicContact CB-CB 4.38Å; H459-E464 VanDerWaalsContact ND1-CB 3.34Å; H459-E464 WeakPolarHBondContact ND1-CB 3.45Å; H459-R465 HydrophobicContact CB-CG 3.95Å; H459-R465 PolarHBondContact O-NE 3.44Å; H459-R465 PolarHBondContact O-NH2 3.32Å | ||
| 460 | E | 93.2 | Very high | 93.2 | Very high | 136 Ų | 136 | 64.5 Ų | 64.5 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -59.4 | -52.1 | -177.6 | -176.8 | -177.7 | -174.9 | 0 | 0 | 110.9 | W458 R465 | W458-E460 PolarHBondContact O-N 2.8Å; E460-R465 PolarHBondContact O-NH2 3.46Å |
| 461 | K | 92.8 | Very high | 92.9 | Very high | 123 Ų | 123 | 64.2 Ų | 64.2 | 54% | 0.535 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -72.5 | 129.8 | 172.6 | -50.3 | -176.4 | 179.9 | 175.1 | 0 | 110.7 | H459 D463 E464 | H459-K461 PolarHBondContact ND1-N 3.28Å; H459-K461 VanDerWaalsContact ND1-N 3.11Å; H459-K461 PolarHBondContact ND1-O 3.11Å; H459-K461 VanDerWaalsContact ND1-O 3.14Å; K461-D463 WeakPolarHBondContact CB-OD1 3.47Å; K461-E464 HydrophobicContact CB-CB 4.38Å; K461-E464 HydrophobicContact CB-CG 3.94Å; K461-E464 HydrophobicContact CD-CG 4.16Å |
| 462 | A | 90.7 | Very high | 92.3 | Very high | 26 Ų | 26 | 67 Ų | 67 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -71.4 | -36 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K401 E464 R465 | K401-A462 HydrophobicContact CB-CB 3.89Å; K401-A462 WeakPolarHBondContact CB-O 3.45Å; K401-A462 WeakPolarHBondContact CD-O 3.34Å; K401-A462 HydrophobicContact CG-CB 4.32Å; K401-A462 WeakPolarHBondContact CG-O 3.5Å; A462-E464 VanDerWaalsContact C-N 3.35Å; A462-R465 WeakPolarHBondContact O-CB 3.35Å; A462-R465 PolarHBondContact O-N 3.39Å |
| 463 | D | 91.9 | Very high | 91.8 | Very high | 115 Ų | 115 | 65.4 Ų | 65.4 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -38.8 | 177 | 52.2 | -20.9 | 0 | 0 | 0 | 112.9 | K401 K461 R465 | K401-D463 PolarHBondContact NZ-O 2.74Å; K461-D463 WeakPolarHBondContact CB-OD1 3.47Å; D463-R465 PolarHBondContact O-N 2.75Å |
| 464 | E | 96.3 | Very high | 91.4 | Very high | 117 Ų | 117 | 67.4 Ų | 67.4 | 55% | 0.547 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -11.7 | 177.3 | -61.4 | -67.1 | 173.5 | 0 | 0 | 114.1 | H459 K461 A462 | H459-E464 HydrophobicContact CB-CB 4.38Å; H459-E464 VanDerWaalsContact ND1-CB 3.34Å; H459-E464 WeakPolarHBondContact ND1-CB 3.45Å; K461-E464 HydrophobicContact CB-CB 4.38Å; K461-E464 HydrophobicContact CB-CG 3.94Å; K461-E464 HydrophobicContact CD-CG 4.16Å; A462-E464 VanDerWaalsContact C-N 3.35Å |
| 465 | R | 96.6 | Very high | 91 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 1% | 0.011 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -71.4 | 145.2 | 174.9 | -58.9 | 173.3 | -164.6 | 152.7 | 11.6 | 109.5 | E391 K401 I404 C457 H459 E460 A462 D463 | E391-R465 IonicContact OE1-CZ 2.72Å; E391-R465 IonicContact OE1-NH1 3.92Å; E391-R465 PolarHBondContact OE1-NH1 3.31Å; E391-R465 IonicContact OE1-NH2 3.47Å; E391-R465 PolarHBondContact OE1-NH2 3.24Å; E391-R465 IonicContact OE2-CZ 3.5Å; E391-R465 IonicContact OE2-NH1 2.99Å; E391-R465 IonicContact OE2-NH2 3.2Å; E391-R465 PolarHBondContact OE2-NH2 2.93Å; K401-R465 HydrophobicContact CD-CB 4.37Å; K401-R465 PolarHBondContact NZ-O 3.49Å; K401-R465 PolarHBondContact O-NH1 2.86Å; I404-R465 HydrophobicContact CG2-CB 4Å; C457-R465 VanDerWaalsContact O-CD 3.31Å; C457-R465 WeakPolarHBondContact O-CD 3.43Å; H459-R465 HydrophobicContact CB-CG 3.95Å; H459-R465 PolarHBondContact O-NE 3.44Å; H459-R465 PolarHBondContact O-NH2 3.32Å; E460-R465 PolarHBondContact O-NH2 3.46Å; A462-R465 WeakPolarHBondContact O-CB 3.35Å; A462-R465 PolarHBondContact O-N 3.39Å; D463-R465 PolarHBondContact O-N 2.75Å |
| 466 | P | 92.5 | Very high | 90.5 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 10% | 0.104 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 168.2 | 179.2 | 29 | -36.6 | 0 | 0 | 0 | 112.1 | I404 S456 I470 L471 | I404-P466 WeakPolarHBondContact CD1-O 3.35Å; I404-P466 WeakPolarHBondContact CG1-O 3.23Å; I404-P466 HydrophobicContact CG2-CG 4.33Å; S456-P466 VanDerWaalsContact O-CD 3.27Å; S456-P466 WeakPolarHBondContact O-CD 3.42Å; P466-I470 HydrophobicContact CB-CB 4.09Å; P466-I470 HydrophobicContact CB-CG2 3.92Å; P466-L471 HydrophobicContact CB-CD2 4.2Å; P466-L471 HydrophobicContact CB-CG 4.13Å; P466-L471 HydrophobicContact CG-CD1 4.27Å; P466-L471 HydrophobicContact CG-CD2 3.54Å; P466-L471 HydrophobicContact CG-CG 3.79Å |
| 467 | T | 86.1 | Confident | 90.2 | Very high | 64 Ų | 64 | 70.4 Ų | 70.4 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 161 | 167.1 | 65 | 0 | 0 | 0 | 0 | 110 | K469 I470 L471 | T467-K469 PolarHBondContact O-N 3.24Å; T467-I470 PolarHBondContact O-N 3.36Å; T467-I470 WeakPolarHBondContact OG1-CG1 3.44Å; T467-I470 PolarHBondContact OG1-N 3.37Å; T467-L471 PolarHBondContact O-N 2.78Å |
| 468 | F | 84.4 | Confident | 89.9 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.7 | -30.3 | 173.3 | -79.6 | -67.3 | 0 | 0 | 0 | 112.8 | D403 I404 F407 L471 L472 | D403-F468 HydrophobicContact CB-CE2 4.15Å; D403-F468 HydrophobicContact CB-CZ 4.29Å; I404-F468 HydrophobicContact CD1-CB 4.44Å; I404-F468 HydrophobicContact CD1-CD1 3.88Å; I404-F468 HydrophobicContact CD1-CD2 3.64Å; I404-F468 HydrophobicContact CD1-CE1 3.96Å; I404-F468 HydrophobicContact CD1-CE2 3.71Å; I404-F468 HydrophobicContact CD1-CG 3.71Å; I404-F468 HydrophobicContact CD1-CZ 3.87Å; I404-F468 HydrophobicContact CG1-CE2 4.28Å; F407-F468 HydrophobicContact CB-CE1 3.77Å; F407-F468 HydrophobicContact CB-CZ 4.1Å; F407-F468 HydrophobicContact CD1-CE1 4.21Å; F407-F468 AromaticContact CD2-CE1 3.92Å; F407-F468 HydrophobicContact CD2-CE1 3.92Å; F407-F468 AromaticContact CG-CE1 3.7Å; F407-F468 HydrophobicContact CG-CE1 3.7Å; F407-F468 HydrophobicContact CG-CZ 4.49Å; F468-L471 HydrophobicContact CD1-CD1 4.26Å; F468-L471 PolarHBondContact O-N 2.87Å; F468-L472 VanDerWaalsContact O-CB 3.32Å; F468-L472 WeakPolarHBondContact O-CB 3.44Å; F468-L472 PolarHBondContact O-N 2.99Å |
| 469 | K | 79.1 | Confident | 89.2 | Confident | 180 Ų | 180 | 76.2 Ų | 76.2 | 78% | 0.783 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 174.3 | -175.2 | 178.4 | 179.6 | -179.3 | 0 | 111.6 | T467 S473 | T467-K469 PolarHBondContact O-N 3.24Å; K469-S473 PolarHBondContact O-N 2.79Å; K469-S473 VanDerWaalsContact O-N 3.14Å |
| 470 | I | 87.4 | Confident | 88.6 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 176.5 | -65.8 | 167.6 | 0 | 0 | 0 | 110 | P466 T467 L472 S473 N474 | P466-I470 HydrophobicContact CB-CB 4.09Å; P466-I470 HydrophobicContact CB-CG2 3.92Å; T467-I470 PolarHBondContact O-N 3.36Å; T467-I470 WeakPolarHBondContact OG1-CG1 3.44Å; T467-I470 PolarHBondContact OG1-N 3.37Å; I470-L472 VanDerWaalsContact C-N 3.32Å; I470-L472 PolarHBondContact O-N 3.18Å; I470-S473 WeakPolarHBondContact O-CB 3.48Å; I470-S473 PolarHBondContact O-N 2.98Å; I470-N474 VanDerWaalsContact O-CG 3.26Å; I470-N474 PolarHBondContact O-N 3.49Å; I470-N474 PolarHBondContact O-OD1 3.29Å |
| 471 | L | 87.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.4 | -43 | 177.7 | -70.4 | 174.6 | 0 | 0 | 0 | 112.3 | I404 F407 I453 P466 T467 F468 N474 I475 | I404-L471 HydrophobicContact CD1-CD1 3.64Å; I404-L471 HydrophobicContact CG2-CD1 4.24Å; F407-L471 HydrophobicContact CD1-CD1 3.67Å; F407-L471 HydrophobicContact CE1-CB 4.49Å; F407-L471 HydrophobicContact CE1-CD1 3.89Å; I453-L471 HydrophobicContact CG2-CD2 3.74Å; P466-L471 HydrophobicContact CB-CD2 4.2Å; P466-L471 HydrophobicContact CB-CG 4.13Å; P466-L471 HydrophobicContact CG-CD1 4.27Å; P466-L471 HydrophobicContact CG-CD2 3.54Å; P466-L471 HydrophobicContact CG-CG 3.79Å; T467-L471 PolarHBondContact O-N 2.78Å; F468-L471 HydrophobicContact CD1-CD1 4.26Å; F468-L471 PolarHBondContact O-N 2.87Å; L471-N474 PolarHBondContact O-N 2.95Å; L471-I475 WeakPolarHBondContact O-CB 3.29Å; L471-I475 WeakPolarHBondContact O-CD1 3.36Å; L471-I475 WeakPolarHBondContact O-CG1 3.21Å; L471-I475 PolarHBondContact O-N 3.08Å |
| 472 | L | 84.4 | Confident | 86.2 | Confident | 104 Ų | 104 | 77.7 Ų | 77.7 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.6 | 180 | 62 | 0 | 0 | 0 | 111.4 | F468 I470 N474 I475 L476 | F468-L472 VanDerWaalsContact O-CB 3.32Å; F468-L472 WeakPolarHBondContact O-CB 3.44Å; F468-L472 PolarHBondContact O-N 2.99Å; I470-L472 VanDerWaalsContact C-N 3.32Å; I470-L472 PolarHBondContact O-N 3.18Å; L472-N474 PolarHBondContact O-N 3.19Å; L472-I475 PolarHBondContact O-N 2.99Å; L472-L476 HydrophobicContact CD1-CD1 4.33Å; L472-L476 HydrophobicContact CD1-CG 4.32Å; L472-L476 HydrophobicContact CG-CD1 4.18Å; L472-L476 VanDerWaalsContact O-CG 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.48Å |
| 473 | S | 87.3 | Confident | 84.2 | Confident | 59 Ų | 59 | 83.6 Ų | 83.6 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.8 | -51.6 | 174.8 | -163.6 | 0 | 0 | 0 | 0 | 111 | K469 I470 I475 L476 D477 | K469-S473 PolarHBondContact O-N 2.79Å; K469-S473 VanDerWaalsContact O-N 3.14Å; I470-S473 WeakPolarHBondContact O-CB 3.48Å; I470-S473 PolarHBondContact O-N 2.98Å; S473-I475 VanDerWaalsContact C-N 3.29Å; S473-I475 PolarHBondContact O-N 3.1Å; S473-L476 PolarHBondContact O-N 3.33Å; S473-L476 VanDerWaalsContact O-N 3.16Å; S473-D477 VanDerWaalsContact O-CG 3.26Å; S473-D477 PolarHBondContact O-N 2.84Å |
| 474 | N | 87.8 | Confident | 83.8 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 29% | 0.289 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -35.3 | -178.4 | -62.4 | -5.9 | 0 | 0 | 0 | 112.6 | I453 I470 L471 L472 V478 | I453-N474 HydrophobicContact CD1-CB 3.88Å; I453-N474 WeakPolarHBondContact CD1-O 3.22Å; I453-N474 HydrophobicContact CG1-CB 3.96Å; I470-N474 VanDerWaalsContact O-CG 3.26Å; I470-N474 PolarHBondContact O-N 3.49Å; I470-N474 PolarHBondContact O-OD1 3.29Å; L471-N474 PolarHBondContact O-N 2.95Å; L472-N474 PolarHBondContact O-N 3.19Å; N474-V478 WeakPolarHBondContact O-CG2 3.15Å; N474-V478 PolarHBondContact O-N 2.78Å |
| 475 | I | 87.4 | Confident | 83.2 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 177 | -70.8 | 164.8 | 0 | 0 | 0 | 110.2 | F407 I453 L471 L472 S473 V478 M479 | F407-I475 HydrophobicContact CE1-CD1 4.28Å; F407-I475 HydrophobicContact CZ-CD1 3.98Å; I453-I475 HydrophobicContact CD1-CG1 4.33Å; I453-I475 HydrophobicContact CG2-CG1 4.29Å; L471-I475 WeakPolarHBondContact O-CB 3.29Å; L471-I475 WeakPolarHBondContact O-CD1 3.36Å; L471-I475 WeakPolarHBondContact O-CG1 3.21Å; L471-I475 PolarHBondContact O-N 3.08Å; L472-I475 PolarHBondContact O-N 2.99Å; S473-I475 VanDerWaalsContact C-N 3.29Å; S473-I475 PolarHBondContact O-N 3.1Å; I475-V478 PolarHBondContact O-N 3.24Å; I475-M479 HydrophobicContact CG2-SD 4.04Å; I475-M479 VanDerWaalsContact O-CG 3.29Å; I475-M479 WeakPolarHBondContact O-CG 3.5Å; I475-M479 PolarHBondContact O-N 3.48Å |
| 476 | L | 87 | Confident | 82.4 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 177.2 | -67.3 | 172.5 | 0 | 0 | 0 | 111.3 | L472 S473 V478 M479 D480 | L472-L476 HydrophobicContact CD1-CD1 4.33Å; L472-L476 HydrophobicContact CD1-CG 4.32Å; L472-L476 HydrophobicContact CG-CD1 4.18Å; L472-L476 VanDerWaalsContact O-CG 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.34Å; L472-L476 PolarHBondContact O-N 3.48Å; S473-L476 PolarHBondContact O-N 3.33Å; S473-L476 VanDerWaalsContact O-N 3.16Å; L476-V478 VanDerWaalsContact C-N 3.31Å; L476-V478 PolarHBondContact O-N 2.92Å; L476-M479 WeakPolarHBondContact O-CB 3.4Å; L476-M479 PolarHBondContact O-N 2.88Å; L476-M479 VanDerWaalsContact O-N 3.09Å; L476-D480 PolarHBondContact O-N 2.84Å |
| 477 | D | 90 | Very high | 81.8 | Confident | 85 Ų | 85 | 88.5 Ų | 88.5 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 177.6 | -65.9 | -25.7 | 0 | 0 | 0 | 111.7 | S473 D480 E481 | S473-D477 VanDerWaalsContact O-CG 3.26Å; S473-D477 PolarHBondContact O-N 2.84Å; D477-D480 PolarHBondContact O-N 3.08Å; D477-E481 WeakPolarHBondContact O-CG 2.76Å; D477-E481 PolarHBondContact O-N 2.9Å |
| 478 | V | 90.6 | Very high | 81.5 | Confident | 17 Ų | 17 | 90.1 Ų | 90.1 | 10% | 0.103 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.4 | -33.5 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 112 | K449 V450 I453 N474 I475 L476 E482 | K449-V478 HydrophobicContact CB-CG2 3.91Å; K449-V478 HydrophobicContact CD-CG2 4.47Å; V450-V478 HydrophobicContact CG2-CG1 3.92Å; I453-V478 HydrophobicContact CD1-CG2 3.82Å; N474-V478 WeakPolarHBondContact O-CG2 3.15Å; N474-V478 PolarHBondContact O-N 2.78Å; I475-V478 PolarHBondContact O-N 3.24Å; L476-V478 VanDerWaalsContact C-N 3.31Å; L476-V478 PolarHBondContact O-N 2.92Å; V478-E482 PolarHBondContact O-N 3.15Å |
| 479 | M | 84.3 | Confident | 81.4 | Confident | 108 Ų | 108 | 89.5 Ų | 89.5 | 53% | 0.532 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 176.1 | -71.9 | 175.8 | 64 | 0 | 0 | 112 | I475 L476 E481 E482 S483 | I475-M479 HydrophobicContact CG2-SD 4.04Å; I475-M479 VanDerWaalsContact O-CG 3.29Å; I475-M479 WeakPolarHBondContact O-CG 3.5Å; I475-M479 PolarHBondContact O-N 3.48Å; L476-M479 WeakPolarHBondContact O-CB 3.4Å; L476-M479 PolarHBondContact O-N 2.88Å; L476-M479 VanDerWaalsContact O-N 3.09Å; M479-E481 VanDerWaalsContact C-N 3.33Å; M479-E482 PolarHBondContact O-N 3.27Å; M479-S483 PolarHBondContact O-N 3.3Å; M479-S483 PolarHBondContact O-OG 3.24Å |
| 480 | D | 83.7 | Confident | 81.5 | Confident | 115 Ų | 115 | 83.1 Ų | 83.1 | 62% | 0.615 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.7 | -27.6 | -180 | -73.6 | -11.7 | 0 | 0 | 0 | 112.3 | L476 D477 | L476-D480 PolarHBondContact O-N 2.84Å; D477-D480 PolarHBondContact O-N 3.08Å |
| 481 | E | 75.7 | Confident | 81.1 | Confident | 116 Ų | 116 | 83.1 Ų | 83.1 | 54% | 0.542 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -77.7 | -22.9 | 176.2 | -73.1 | 177.6 | 149.8 | 0 | 0 | 114.2 | K449 D477 M479 | K449-E481 VanDerWaalsContact CD-OE2 3.27Å; K449-E481 WeakPolarHBondContact CD-OE2 3.36Å; K449-E481 WeakPolarHBondContact CE-OE2 3.47Å; K449-E481 IonicContact NZ-OE1 2.97Å; K449-E481 PolarHBondContact NZ-OE1 3.09Å; K449-E481 IonicContact NZ-OE2 3.38Å; K449-E481 PolarHBondContact NZ-OE2 2.92Å; D477-E481 WeakPolarHBondContact O-CG 2.76Å; D477-E481 PolarHBondContact O-N 2.9Å; M479-E481 VanDerWaalsContact C-N 3.33Å |
| 482 | E | 59.3 | Low | 80.6 | Confident | 142 Ų | 142 | 89.9 Ų | 89.9 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | trans | -95.8 | -3.7 | 177.3 | -68.1 | -172.4 | 174.3 | 0 | 0 | 113 | V478 M479 | V478-E482 PolarHBondContact O-N 3.15Å; M479-E482 PolarHBondContact O-N 3.27Å | ||
| 483 | S | 49.3 | Very low | 80.2 | Confident | 150 Ų | 150 | 88.6 Ų | 88.6 | 100% | 1.049 | 49% | 0.485 | S | S | * | . | trans | -90.7 | 0 | 175.5 | -59 | 0 | 0 | 0 | 0 | 111.8 | M479 | M479-S483 PolarHBondContact O-N 3.3Å; M479-S483 PolarHBondContact O-OG 3.24Å |
Retrieved 483 of 483 residues in 81.8 ms
(Link to these results)