| 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 | 40.8 | Very low | 82 | Confident | 230 Ų | 230 | 74.4 Ų | 74.4 | 100% | 1.133 | 39% | 0.391 | S | S | * | . | 0 | 131.4 | 0 | -69.4 | -176.9 | -122.9 | 0 | 0 | 106.1 | D3 | M1-D3 PolarHBondContact O-N 2.84Š| |||
| 2 | S | 52.8 | Low | 83 | Confident | 100 Ų | 100 | 70.9 Ų | 70.9 | 70% | 0.699 | 37% | 0.37 | S | S | * | . | trans | -72.3 | 108.8 | -173 | 47.2 | 0 | 0 | 0 | 0 | 110.8 | N4 | S2-N4 PolarHBondContact O-N 2.69Š| ||
| 3 | D | 70.5 | Confident | 83.6 | Confident | 113 Ų | 113 | 65.6 Ų | 65.6 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | trans | -72.8 | 47.6 | 176.3 | -69.9 | -39.2 | 0 | 0 | 0 | 112.8 | M1 T33 | M1-D3 PolarHBondContact O-N 2.84Å; D3-T33 WeakPolarHBondContact O-CA 3.48Å; D3-T33 WeakPolarHBondContact O-CB 3.48Å | ||
| 4 | N | 84.1 | Confident | 83.5 | Confident | 66 Ų | 66 | 63.1 Ų | 63.1 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.5 | 175.4 | -65.7 | -5.7 | 0 | 0 | 0 | 108.6 | S2 I31 | S2-N4 PolarHBondContact O-N 2.69Å; N4-I31 HydrophobicContact CB-CG2 4.15Å; N4-I31 WeakPolarHBondContact OD1-CG2 3.47Å |
| 5 | L | 88.8 | Confident | 82.6 | Confident | 62 Ų | 62 | 60.5 Ų | 60.5 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -41.1 | 177.1 | -65.2 | 177 | 0 | 0 | 0 | 112 | L32 Q34 L110 | L5-L32 HydrophobicContact CB-CG 4.39Å; L5-L32 WeakPolarHBondContact CB-O 3.37Å; L5-L32 PolarHBondContact N-O 3.23Å; L5-Q34 HydrophobicContact CD1-CG 4.04Å; L5-Q34 HydrophobicContact CD2-CG 4.31Å; L5-Q34 HydrophobicContact CG-CG 4.35Å; L5-L110 HydrophobicContact CD1-CD1 3.75Å; L5-L110 HydrophobicContact CD1-CD2 4.05Å |
| 6 | M | 93.6 | Very high | 81.4 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 20% | 0.202 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 147.9 | 177.8 | -60.9 | -177.9 | 76.3 | 0 | 0 | 109.5 | L32 W103 K106 | M6-L32 HydrophobicContact CB-CB 4.19Å; M6-L32 HydrophobicContact CB-CD2 4.44Å; M6-L32 HydrophobicContact CG-CD2 4.44Å; M6-L32 PolarHBondContact N-O 3.12Å; M6-L32 PolarHBondContact O-N 2.88Å; M6-L32 HydrophobicContact SD-CD2 4.31Å; M6-W103 HydrophobicContact CB-CH2 4.05Å; M6-W103 HydrophobicContact CB-CZ2 3.68Å; M6-W103 VanDerWaalsContact CE-CD1 3.43Å; M6-W103 HydrophobicContact CE-CD2 4.22Å; M6-W103 HydrophobicContact CE-CG 3.94Å; M6-W103 HydrophobicContact SD-CD2 4.4Å; M6-W103 HydrophobicContact SD-CG 4.45Å; M6-K106 HydrophobicContact CG-CG 4.37Å; M6-K106 HydrophobicContact SD-CB 3.51Å; M6-K106 VanDerWaalsContact SD-CB 3.51Å; M6-K106 HydrophobicContact SD-CG 3.59Å; M6-K106 VanDerWaalsContact SD-CG 3.59Å |
| 7 | E | 93.9 | Very high | 80.2 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142.8 | 168.8 | 63 | -180 | -165.9 | 0 | 0 | 110.5 | W29 F30 I31 | E7-W29 PolarHBondContact OE2-NE1 2.8Å; E7-F30 WeakPolarHBondContact CA-O 3.16Å; E7-F30 WeakPolarHBondContact CB-O 3.49Å; E7-I31 HydrophobicContact CB-CG1 4.12Å |
| 8 | E | 94.9 | Very high | 79 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 153.1 | -176.8 | -173.9 | 55.7 | -89 | 0 | 0 | 110.3 | F10 F30 I99 W103 | E8-F10 HydrophobicContact CB-CD2 4.37Å; E8-F10 HydrophobicContact CB-CE1 4.27Å; E8-F10 HydrophobicContact CB-CE2 3.77Å; E8-F10 HydrophobicContact CB-CZ 3.73Å; E8-F10 HydrophobicContact CG-CD1 4.1Å; E8-F10 HydrophobicContact CG-CE1 3.58Å; E8-F10 HydrophobicContact CG-CE2 4.03Å; E8-F10 HydrophobicContact CG-CZ 3.54Å; E8-F30 PolarHBondContact N-O 3.45Å; E8-F30 PolarHBondContact O-N 2.96Å; E8-I99 HydrophobicContact CG-CG2 3.81Å; E8-W103 HydrophobicContact CB-CZ2 3.5Å |
| 9 | I | 93.4 | Very high | 77.4 | Confident | 27 Ų | 27 | 72 Ų | 72 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.5 | 173.2 | -60.9 | 159.5 | 0 | 0 | 0 | 108.9 | E27 R28 W29 F42 | I9-E27 HydrophobicContact CG2-CB 4.3Å; I9-R28 WeakPolarHBondContact CA-O 2.86Å; I9-W29 HydrophobicContact CG1-CE3 4.39Å; I9-F42 HydrophobicContact CD1-CD1 4.3Å; I9-F42 HydrophobicContact CD1-CD2 4.15Å; I9-F42 HydrophobicContact CD1-CE1 3.78Å; I9-F42 HydrophobicContact CD1-CE2 3.6Å; I9-F42 HydrophobicContact CD1-CG 4.47Å; I9-F42 HydrophobicContact CD1-CZ 3.4Å; I9-F42 HydrophobicContact CG1-CD2 4.4Å; I9-F42 HydrophobicContact CG1-CE1 4.49Å; I9-F42 HydrophobicContact CG1-CE2 4.32Å; I9-F42 HydrophobicContact CG1-CG 4.5Å; I9-F42 HydrophobicContact CG1-CZ 4.37Å; I9-F42 HydrophobicContact CG2-CD1 3.94Å; I9-F42 HydrophobicContact CG2-CE1 4.18Å; I9-F42 HydrophobicContact CG2-CG 4.42Å |
| 10 | F | 95.2 | Very high | 76 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.009 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 154.7 | 177.4 | -64.7 | -55.8 | 0 | 0 | 0 | 112.1 | E8 E27 R28 F30 F81 I92 F93 A94 I99 W103 | E8-F10 HydrophobicContact CB-CD2 4.37Å; E8-F10 HydrophobicContact CB-CE1 4.27Å; E8-F10 HydrophobicContact CB-CE2 3.77Å; E8-F10 HydrophobicContact CB-CZ 3.73Å; E8-F10 HydrophobicContact CG-CD1 4.1Å; E8-F10 HydrophobicContact CG-CE1 3.58Å; E8-F10 HydrophobicContact CG-CE2 4.03Å; E8-F10 HydrophobicContact CG-CZ 3.54Å; F10-E27 CarbonylContact O-C 3.58Å; F10-E27 WeakPolarHBondContact O-CA 3.43Å; F10-R28 PolarHBondContact N-O 3.38Å; F10-R28 PolarHBondContact O-N 2.82Å; F10-F30 HydrophobicContact CB-CD2 3.72Å; F10-F30 HydrophobicContact CB-CE2 3.75Å; F10-F30 HydrophobicContact CD2-CB 3.86Å; F10-F30 AromaticContact CD2-CD2 3.64Å; F10-F30 HydrophobicContact CD2-CD2 3.64Å; F10-F30 HydrophobicContact CD2-CE2 4.29Å; F10-F30 AromaticContact CD2-CG 3.8Å; F10-F30 HydrophobicContact CD2-CG 3.8Å; F10-F30 HydrophobicContact CE2-CB 4.32Å; F10-F30 HydrophobicContact CG-CD2 4.15Å; F10-F81 HydrophobicContact CE2-CZ 4.44Å; F10-F81 HydrophobicContact CZ-CE1 4.44Å; F10-I92 HydrophobicContact CB-CG2 3.37Å; F10-I92 HydrophobicContact CD1-CG2 4.14Å; F10-I92 HydrophobicContact CD2-CG2 3.67Å; F10-I92 HydrophobicContact CE2-CG2 4.46Å; F10-I92 HydrophobicContact CG-CG2 3.47Å; F10-I92 VanDerWaalsContact CG-CG2 3.47Å; F10-F93 WeakPolarHBondContact CD1-O 3.41Å; F10-A94 HydrophobicContact CD1-CB 4.1Å; F10-A94 HydrophobicContact CE1-CB 3.67Å; F10-I99 HydrophobicContact CE1-CG2 3.56Å; F10-I99 HydrophobicContact CZ-CG2 3.78Å; F10-W103 AromaticContact CE2-CD2 3.56Å; F10-W103 HydrophobicContact CE2-CD2 3.56Å; F10-W103 AromaticContact CE2-CE2 3.53Å; F10-W103 AromaticContact CE2-CE3 3.84Å; F10-W103 HydrophobicContact CE2-CE3 3.84Å; F10-W103 HydrophobicContact CE2-CG 4.05Å; F10-W103 HydrophobicContact CE2-CH2 4.09Å; F10-W103 AromaticContact CE2-CZ2 3.82Å; F10-W103 HydrophobicContact CE2-CZ2 3.82Å; F10-W103 HydrophobicContact CE2-CZ3 4.1Å; F10-W103 AromaticContact CE2-NE1 3.95Å; F10-W103 HydrophobicContact CZ-CB 4.44Å; F10-W103 AromaticContact CZ-CD1 3.61Å; F10-W103 AromaticContact CZ-CD2 3.69Å; F10-W103 HydrophobicContact CZ-CD2 3.69Å; F10-W103 AromaticContact CZ-CE2 3.64Å; F10-W103 HydrophobicContact CZ-CE3 4.4Å; F10-W103 AromaticContact CZ-CG 3.68Å; F10-W103 HydrophobicContact CZ-CG 3.68Å; F10-W103 HydrophobicContact CZ-CZ2 4.32Å; F10-W103 AromaticContact CZ-NE1 3.56Å |
| 11 | I | 93.9 | Very high | 74.9 | Confident | 22 Ų | 22 | 72 Ų | 72 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 127.5 | 164.9 | -58.4 | 168.6 | 0 | 0 | 0 | 107.7 | Y25 E27 E76 I92 F93 | I11-Y25 HydrophobicContact CG2-CD1 4.13Å; I11-Y25 HydrophobicContact CG2-CG 4.44Å; I11-E27 HydrophobicContact CG1-CG 4.01Å; I11-E76 HydrophobicContact CD1-CB 4.09Å; I11-I92 CarbonylContact O-C 3.56Å; I11-I92 WeakPolarHBondContact O-CA 3.15Å; I11-F93 HydrophobicContact CB-CB 4.16Å; I11-F93 HydrophobicContact CB-CD2 4.24Å; I11-F93 HydrophobicContact CG2-CD2 4.14Å; I11-F93 PolarHBondContact N-O 2.86Å; I11-F93 WeakPolarHBondContact O-CD2 3.39Å; I11-F93 PolarHBondContact O-N 2.85Å |
| 12 | K | 93.8 | Very high | 75.5 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 14% | 0.143 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128 | 174.9 | 177.6 | 176.5 | -179.8 | -100.1 | 0 | 109.9 | Y25 K26 R28 F30 Y39 L90 | K12-Y25 WeakPolarHBondContact O-CA 3.23Å; K12-K26 PolarHBondContact N-O 3.06Å; K12-K26 PolarHBondContact O-N 2.95Å; K12-K26 VanDerWaalsContact O-N 3.08Å; K12-R28 HydrophobicContact CB-CG 4.01Å; K12-R28 HydrophobicContact CD-CG 4.49Å; K12-F30 HydrophobicContact CB-CE2 4.31Å; K12-F30 HydrophobicContact CB-CZ 4.16Å; K12-F30 HydrophobicContact CD-CZ 4.25Å; K12-F30 HydrophobicContact CG-CZ 4.45Å; K12-Y39 HydrophobicContact CD-CD2 3.87Å; K12-Y39 HydrophobicContact CD-CE1 4.38Å; K12-Y39 HydrophobicContact CD-CE2 3.63Å; K12-Y39 HydrophobicContact CD-CG 4.35Å; K12-Y39 WeakPolarHBondContact CE-OH 3.21Å; K12-Y39 PolarHBondContact NZ-OH 3.25Å; K12-L90 HydrophobicContact CD-CD1 3.88Å; K12-L90 HydrophobicContact CG-CD1 3.91Å |
| 13 | R | 90.6 | Very high | 76.6 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 138.5 | 167.3 | -153.7 | 170.4 | 176.4 | -125.9 | -6.1 | 109.7 | Q15 L23 N24 Y25 Y91 F93 W126 | R13-Q15 PolarHBondContact O-N 3.44Å; R13-L23 HydrophobicContact CG-CD2 3.91Å; R13-L23 VanDerWaalsContact NH2-CD1 3.33Å; R13-N24 CarbonylContact C-O 3.56Å; R13-N24 WeakPolarHBondContact CA-O 3.26Å; R13-Y25 HydrophobicContact CB-CD1 4.46Å; R13-Y25 HydrophobicContact CB-CE1 4.26Å; R13-Y25 HydrophobicContact CG-CD1 4.25Å; R13-Y25 HydrophobicContact CG-CE1 3.72Å; R13-Y25 PolarHBondContact NE-OH 3.44Å; R13-Y25 VanDerWaalsContact NE-OH 3.17Å; R13-Y91 HydrophobicContact CB-CD2 4.37Å; R13-Y91 PolarHBondContact N-O 3.09Å; R13-F93 HydrophobicContact CB-CE2 4.02Å; R13-W126 PolarHBondContact NH1-O 2.84Å |
| 14 | S | 83.3 | Confident | 77.2 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | trans | -59.9 | 136.6 | 166.6 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | Q16 P22 N24 | S14-Q16 PolarHBondContact O-N 3.43Å; S14-Q16 VanDerWaalsContact O-N 3.13Å; S14-P22 PolarHBondContact OG-O 3.16Å; S14-N24 PolarHBondContact N-O 2.9Å; S14-N24 PolarHBondContact OG-N 3.39Å; S14-N24 PolarHBondContact OG-O 3.17Å | ||
| 15 | Q | 69.1 | Low | 77.4 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 11% | 0.112 | 31% | 0.314 | C | S | . | . | trans | -73.9 | 1 | -175.9 | -75.6 | 173.9 | -19.3 | 0 | 0 | 114.4 | R13 Y85 K139 | R13-Q15 PolarHBondContact O-N 3.44Å; Q15-Y85 PolarHBondContact NE2-OH 3.29Å; Q15-Y85 PolarHBondContact OE1-OH 2.81Å; Q15-K139 PolarHBondContact O-NZ 3.26Å | ||
| 16 | Q | 63.5 | Low | 77.4 | Confident | 16 Ų | 16 | 64.3 Ų | 64.3 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | trans | 41.6 | 81.9 | -174.8 | -68.2 | -173.4 | -58.3 | 0 | 0 | 112.2 | S14 K18 S21 L23 K139 | S14-Q16 PolarHBondContact O-N 3.43Å; S14-Q16 VanDerWaalsContact O-N 3.13Å; Q16-K18 PolarHBondContact O-N 3.17Å; Q16-S21 PolarHBondContact NE2-O 3.19Å; Q16-L23 HydrophobicContact CG-CD2 3.85Å; Q16-L23 HydrophobicContact CG-CG 4.09Å; Q16-L23 VanDerWaalsContact NE2-CG 3.35Å; Q16-K139 PolarHBondContact O-NZ 3.36Å; Q16-K139 VanDerWaalsContact O-NZ 3.07Å | ||
| 17 | K | 61.6 | Low | 77.4 | Confident | 176 Ų | 176 | 65.9 Ų | 65.9 | 77% | 0.765 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -70.1 | -21.5 | 179.3 | -66.6 | -169.5 | 177 | -168.8 | 0 | 112.3 | ||
| 18 | K | 58.2 | Low | 77.4 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -129.7 | 155.4 | 171.7 | -60.5 | -179.2 | 179.3 | -178.8 | 0 | 109.7 | Q16 T20 S21 T530 | Q16-K18 PolarHBondContact O-N 3.17Å; K18-T20 PolarHBondContact O-N 2.69Å; K18-S21 PolarHBondContact N-OG 3.29Å; K18-S21 WeakPolarHBondContact O-CB 3.37Å; K18-S21 PolarHBondContact O-N 2.87Å; K18-S21 VanDerWaalsContact O-N 3.11Å; K18-S21 PolarHBondContact O-OG 2.95Å; K18-T530 PolarHBondContact NZ-OG1 3.07Å |
| 19 | K | 48.6 | Very low | 77.3 | Confident | 151 Ų | 151 | 62.5 Ų | 62.5 | 66% | 0.657 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.9 | -178.5 | -161.4 | 179.2 | -174.3 | 179.8 | 0 | 113 | D128 | K19-D128 WeakPolarHBondContact CE-O 3.34Š|
| 20 | T | 48.9 | Very low | 77.5 | Confident | 106 Ų | 106 | 61.2 Ų | 61.2 | 65% | 0.65 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -5 | -178.7 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | K18 | K18-T20 PolarHBondContact O-N 2.69Š|
| 21 | S | 53.7 | Low | 77.5 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 27% | 0.266 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -65.4 | 128.5 | -179.7 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | Q16 K18 | Q16-S21 PolarHBondContact NE2-O 3.19Å; K18-S21 PolarHBondContact N-OG 3.29Å; K18-S21 WeakPolarHBondContact O-CB 3.37Å; K18-S21 PolarHBondContact O-N 2.87Å; K18-S21 VanDerWaalsContact O-N 3.11Å; K18-S21 PolarHBondContact O-OG 2.95Å |
| 22 | P | 53.8 | Low | 77.5 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 71% | 0.708 | 30% | 0.296 | S | S | * | . | trans | -63.1 | 143.3 | -179.4 | 24.4 | -33.2 | 0 | 0 | 0 | 110.9 | S14 N24 | S14-P22 PolarHBondContact OG-O 3.16Å; P22-N24 PolarHBondContact O-N 2.86Å | ||
| 23 | L | 74.8 | Confident | 77.5 | Confident | 60 Ų | 60 | 60 Ų | 60 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | trans | -76.8 | 103.8 | 176.5 | -86.1 | 159.2 | 0 | 0 | 0 | 110.3 | R13 Q16 Y25 V127 | R13-L23 HydrophobicContact CG-CD2 3.91Å; R13-L23 VanDerWaalsContact NH2-CD1 3.33Å; Q16-L23 HydrophobicContact CG-CD2 3.85Å; Q16-L23 HydrophobicContact CG-CG 4.09Å; Q16-L23 VanDerWaalsContact NE2-CG 3.35Å; L23-Y25 HydrophobicContact CB-CE2 4.26Å; L23-V127 HydrophobicContact CD1-CG1 4.27Å | ||
| 24 | N | 82.6 | Confident | 77.5 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | trans | -104.8 | 141.2 | 178.1 | -158.9 | -27.3 | 0 | 0 | 0 | 110.8 | R13 S14 P22 K26 | R13-N24 CarbonylContact C-O 3.56Å; R13-N24 WeakPolarHBondContact CA-O 3.26Å; S14-N24 PolarHBondContact N-O 2.9Å; S14-N24 PolarHBondContact OG-N 3.39Å; S14-N24 PolarHBondContact OG-O 3.17Å; P22-N24 PolarHBondContact O-N 2.86Å; N24-K26 WeakPolarHBondContact ND2-CE 3.33Å; N24-K26 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 25 | Y | 88.9 | Confident | 78 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.8 | 177.2 | -64.7 | -98.9 | 0 | 0 | 0 | 107.2 | I11 K12 R13 L23 F93 | I11-Y25 HydrophobicContact CG2-CD1 4.13Å; I11-Y25 HydrophobicContact CG2-CG 4.44Å; K12-Y25 WeakPolarHBondContact O-CA 3.23Å; R13-Y25 HydrophobicContact CB-CD1 4.46Å; R13-Y25 HydrophobicContact CB-CE1 4.26Å; R13-Y25 HydrophobicContact CG-CD1 4.25Å; R13-Y25 HydrophobicContact CG-CE1 3.72Å; R13-Y25 PolarHBondContact NE-OH 3.44Å; R13-Y25 VanDerWaalsContact NE-OH 3.17Å; L23-Y25 HydrophobicContact CB-CE2 4.26Å; Y25-F93 HydrophobicContact CD1-CD2 4.31Å; Y25-F93 AromaticContact CD1-CE2 3.7Å; Y25-F93 HydrophobicContact CD1-CE2 3.7Å; Y25-F93 HydrophobicContact CD1-CZ 4.21Å; Y25-F93 HydrophobicContact CE1-CD2 4.5Å; Y25-F93 AromaticContact CE1-CE2 3.53Å; Y25-F93 HydrophobicContact CE1-CE2 3.53Å; Y25-F93 AromaticContact CE1-CZ 3.59Å; Y25-F93 HydrophobicContact CE1-CZ 3.59Å |
| 26 | K | 89.4 | Confident | 79.2 | Confident | 103 Ų | 103 | 74.8 Ų | 74.8 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.3 | 179.7 | -63.6 | -166.3 | 173.1 | -169.7 | 0 | 111.4 | K12 N24 R28 | K12-K26 PolarHBondContact N-O 3.06Å; K12-K26 PolarHBondContact O-N 2.95Å; K12-K26 VanDerWaalsContact O-N 3.08Å; N24-K26 WeakPolarHBondContact ND2-CE 3.33Å; N24-K26 WeakPolarHBondContact OD1-CG 3.48Å; K26-R28 VanDerWaalsContact CD-NH2 3.3Å |
| 27 | E | 92.7 | Very high | 80.7 | Confident | 73 Ų | 73 | 74 Ų | 74 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135.6 | 169.4 | -69.1 | -167.2 | 125.9 | 0 | 0 | 110.8 | I9 F10 I11 F42 | I9-E27 HydrophobicContact CG2-CB 4.3Å; F10-E27 CarbonylContact O-C 3.58Å; F10-E27 WeakPolarHBondContact O-CA 3.43Å; I11-E27 HydrophobicContact CG1-CG 4.01Å; E27-F42 HydrophobicContact CB-CD1 4.26Å |
| 28 | R | 94.1 | Very high | 82.3 | Confident | 32 Ų | 32 | 65.9 Ų | 65.9 | 12% | 0.121 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 142.4 | -178.6 | -63.8 | -66.3 | 177.7 | -114.7 | 21.1 | 109.3 | I9 F10 K12 K26 F30 Y39 Y40 D41 | I9-R28 WeakPolarHBondContact CA-O 2.86Å; F10-R28 PolarHBondContact N-O 3.38Å; F10-R28 PolarHBondContact O-N 2.82Å; K12-R28 HydrophobicContact CB-CG 4.01Å; K12-R28 HydrophobicContact CD-CG 4.49Å; K26-R28 VanDerWaalsContact CD-NH2 3.3Å; R28-F30 HydrophobicContact CB-CD2 4.03Å; R28-F30 HydrophobicContact CB-CE2 3.65Å; R28-F30 WeakPolarHBondContact O-CD2 3.27Å; R28-F30 PolarHBondContact O-N 2.91Å; R28-Y39 HydrophobicContact CG-CD2 4.37Å; R28-Y40 WeakPolarHBondContact CA-O 3.4Å; R28-Y40 WeakPolarHBondContact CB-O 3.17Å; R28-Y40 WeakPolarHBondContact CD-O 3.26Å; R28-D41 IonicContact CZ-OD1 2.75Å; R28-D41 IonicContact NE-OD1 2.73Å; R28-D41 PolarHBondContact NE-OD1 3.26Å; R28-D41 IonicContact NH1-OD1 3.59Å; R28-D41 PolarHBondContact NH1-OD1 2.73Å; R28-D41 IonicContact NH2-OD1 2.69Å; R28-D41 PolarHBondContact NH2-OD1 3.45Å |
| 29 | W | 94 | Very high | 84 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 20% | 0.201 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 111.7 | 171.6 | -167.7 | -49.6 | 0 | 0 | 0 | 108.2 | E7 I9 Y39 Y40 F42 R49 | E7-W29 PolarHBondContact OE2-NE1 2.8Å; I9-W29 HydrophobicContact CG1-CE3 4.39Å; W29-Y39 CarbonylContact O-C 3.55Å; W29-Y39 VanDerWaalsContact O-CA 3.29Å; W29-Y39 WeakPolarHBondContact O-CA 3.37Å; W29-Y40 PolarHBondContact N-O 3.4Å; W29-Y40 WeakPolarHBondContact O-CD2 3.19Å; W29-Y40 PolarHBondContact O-N 3.14Å; W29-F42 AromaticContact CE3-CD2 3.71Å; W29-F42 HydrophobicContact CE3-CD2 3.71Å; W29-F42 AromaticContact CE3-CE2 3.92Å; W29-F42 HydrophobicContact CE3-CE2 3.92Å; W29-F42 HydrophobicContact CZ3-CD2 4.27Å; W29-F42 HydrophobicContact CZ3-CE2 4.04Å; W29-R49 HydrophobicContact CB-CG 4.49Å; W29-R49 HydrophobicContact CD2-CB 4.39Å; W29-R49 HydrophobicContact CE3-CB 4.22Å; W29-R49 HydrophobicContact CG-CG 4.47Å |
| 30 | F | 96.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 139.5 | 176.8 | -78.2 | -103 | 0 | 0 | 0 | 110.7 | E7 E8 F10 K12 R28 I37 A38 Y39 I92 W103 | E7-F30 WeakPolarHBondContact CA-O 3.16Å; E7-F30 WeakPolarHBondContact CB-O 3.49Å; E8-F30 PolarHBondContact N-O 3.45Å; E8-F30 PolarHBondContact O-N 2.96Å; F10-F30 HydrophobicContact CB-CD2 3.72Å; F10-F30 HydrophobicContact CB-CE2 3.75Å; F10-F30 HydrophobicContact CD2-CB 3.86Å; F10-F30 AromaticContact CD2-CD2 3.64Å; F10-F30 HydrophobicContact CD2-CD2 3.64Å; F10-F30 HydrophobicContact CD2-CE2 4.29Å; F10-F30 AromaticContact CD2-CG 3.8Å; F10-F30 HydrophobicContact CD2-CG 3.8Å; F10-F30 HydrophobicContact CE2-CB 4.32Å; F10-F30 HydrophobicContact CG-CD2 4.15Å; K12-F30 HydrophobicContact CB-CE2 4.31Å; K12-F30 HydrophobicContact CB-CZ 4.16Å; K12-F30 HydrophobicContact CD-CZ 4.25Å; K12-F30 HydrophobicContact CG-CZ 4.45Å; R28-F30 HydrophobicContact CB-CD2 4.03Å; R28-F30 HydrophobicContact CB-CE2 3.65Å; R28-F30 WeakPolarHBondContact O-CD2 3.27Å; R28-F30 PolarHBondContact O-N 2.91Å; F30-I37 HydrophobicContact CD1-CD1 3.87Å; F30-I37 HydrophobicContact CD1-CG1 4.02Å; F30-I37 HydrophobicContact CE1-CD1 4.49Å; F30-A38 CarbonylContact C-O 3.45Å; F30-A38 WeakPolarHBondContact CA-O 3.38Å; F30-Y39 HydrophobicContact CD1-CD1 4.39Å; F30-Y39 HydrophobicContact CD1-CG 4.43Å; F30-Y39 AromaticContact CE1-CD1 3.76Å; F30-Y39 HydrophobicContact CE1-CD1 3.76Å; F30-Y39 AromaticContact CE1-CG 3.91Å; F30-Y39 HydrophobicContact CE1-CG 3.91Å; F30-Y39 HydrophobicContact CZ-CD1 4.22Å; F30-Y39 HydrophobicContact CZ-CG 4.04Å; F30-I92 HydrophobicContact CD1-CD1 4.29Å; F30-I92 HydrophobicContact CE1-CD1 3.62Å; F30-I92 HydrophobicContact CE1-CG1 4.26Å; F30-I92 HydrophobicContact CE2-CG2 4.37Å; F30-I92 HydrophobicContact CZ-CD1 3.93Å; F30-I92 HydrophobicContact CZ-CG1 4.06Å; F30-I92 HydrophobicContact CZ-CG2 4.34Å; F30-W103 HydrophobicContact CB-CH2 3.96Å; F30-W103 HydrophobicContact CB-CZ3 4.33Å |
| 31 | I | 95.1 | Very high | 88 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 120.2 | 176.5 | -58.9 | -178.5 | 0 | 0 | 0 | 107.7 | N4 E7 T33 I37 A38 Y40 | N4-I31 HydrophobicContact CB-CG2 4.15Å; N4-I31 WeakPolarHBondContact OD1-CG2 3.47Å; E7-I31 HydrophobicContact CB-CG1 4.12Å; I31-T33 HydrophobicContact CG2-CG2 4.28Å; I31-I37 WeakPolarHBondContact O-CA 3.35Å; I31-A38 PolarHBondContact N-O 3.01Å; I31-A38 PolarHBondContact O-N 3.4Å; I31-Y40 HydrophobicContact CB-CE2 4.31Å; I31-Y40 HydrophobicContact CD1-CD2 4.14Å; I31-Y40 HydrophobicContact CD1-CE2 3.71Å; I31-Y40 HydrophobicContact CG1-CD2 4.37Å; I31-Y40 HydrophobicContact CG1-CE2 4.08Å |
| 32 | L | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.7 | 174.2 | 179.5 | 60.5 | 0 | 0 | 0 | 109.3 | L5 M6 I37 L58 W103 K106 L107 L110 | L5-L32 HydrophobicContact CB-CG 4.39Å; L5-L32 WeakPolarHBondContact CB-O 3.37Å; L5-L32 PolarHBondContact N-O 3.23Å; M6-L32 HydrophobicContact CB-CB 4.19Å; M6-L32 HydrophobicContact CB-CD2 4.44Å; M6-L32 HydrophobicContact CG-CD2 4.44Å; M6-L32 PolarHBondContact N-O 3.12Å; M6-L32 PolarHBondContact O-N 2.88Å; M6-L32 HydrophobicContact SD-CD2 4.31Å; L32-I37 HydrophobicContact CD1-CB 4.03Å; L32-L58 HydrophobicContact CD1-CD1 4.28Å; L32-L58 HydrophobicContact CD1-CD2 3.95Å; L32-W103 HydrophobicContact CB-CH2 4.04Å; L32-W103 HydrophobicContact CB-CZ3 3.86Å; L32-K106 HydrophobicContact CD2-CB 4.43Å; L32-K106 HydrophobicContact CD2-CG 3.83Å; L32-L107 HydrophobicContact CD1-CD2 3.67Å; L32-L107 HydrophobicContact CD2-CD2 4.15Å; L32-L107 HydrophobicContact CD2-CG 4.33Å; L32-L110 HydrophobicContact CD1-CD1 3.97Å; L32-L110 HydrophobicContact CD2-CD1 3.87Å; L32-L110 HydrophobicContact CG-CD1 4.06Å |
| 33 | T | 93.9 | Very high | 90.7 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 16% | 0.16 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | -179.9 | 174.3 | 64.2 | 0 | 0 | 0 | 0 | 109.6 | D3 I31 E35 K36 | D3-T33 WeakPolarHBondContact O-CA 3.48Å; D3-T33 WeakPolarHBondContact O-CB 3.48Å; I31-T33 HydrophobicContact CG2-CG2 4.28Å; T33-E35 PolarHBondContact O-N 3.4Å; T33-E35 PolarHBondContact OG1-N 2.96Å; T33-K36 PolarHBondContact N-O 3.01Å; T33-K36 PolarHBondContact OG1-N 3.07Å; T33-K36 VanDerWaalsContact OG1-N 3.07Å; T33-K36 PolarHBondContact OG1-O 3.36Å |
| 34 | Q | 90.6 | Very high | 90.6 | Very high | 138 Ų | 138 | 49.8 Ų | 49.8 | 65% | 0.645 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -67.5 | -20.3 | 174.2 | -67.9 | -170.1 | 4.4 | 0 | 0 | 113.6 | L5 L58 | L5-Q34 HydrophobicContact CD1-CG 4.04Å; L5-Q34 HydrophobicContact CD2-CG 4.31Å; L5-Q34 HydrophobicContact CG-CG 4.35Å; Q34-L58 WeakPolarHBondContact O-CD1 3.49Å |
| 35 | E | 92.2 | Very high | 90.1 | Very high | 150 Ų | 150 | 54.4 Ų | 54.4 | 70% | 0.701 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -107.3 | -34.1 | -174 | -63 | 178.7 | 174 | 0 | 0 | 113.1 | T33 L58 | T33-E35 PolarHBondContact O-N 3.4Å; T33-E35 PolarHBondContact OG1-N 2.96Å; E35-L58 WeakPolarHBondContact O-CB 3.3Å; E35-L58 PolarHBondContact O-N 3.4Å |
| 36 | K | 94.6 | Very high | 89.3 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 35% | 0.348 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 160.2 | -172.8 | 65.4 | -170.7 | 175.6 | -166 | 0 | 113.6 | T33 A55 V56 | T33-K36 PolarHBondContact N-O 3.01Å; T33-K36 PolarHBondContact OG1-N 3.07Å; T33-K36 VanDerWaalsContact OG1-N 3.07Å; T33-K36 PolarHBondContact OG1-O 3.36Å; K36-A55 HydrophobicContact CD-CB 4.17Å; K36-V56 WeakPolarHBondContact CA-O 3.29Å; K36-V56 WeakPolarHBondContact CB-O 3.41Å |
| 37 | I | 95.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.6 | 163.2 | -174.6 | 174.5 | 0 | 0 | 0 | 109.3 | F30 I31 L32 A55 V56 I61 I83 W103 L107 | F30-I37 HydrophobicContact CD1-CD1 3.87Å; F30-I37 HydrophobicContact CD1-CG1 4.02Å; F30-I37 HydrophobicContact CE1-CD1 4.49Å; I31-I37 WeakPolarHBondContact O-CA 3.35Å; L32-I37 HydrophobicContact CD1-CB 4.03Å; I37-A55 CarbonylContact O-C 3.6Å; I37-A55 VanDerWaalsContact O-CA 3.26Å; I37-A55 WeakPolarHBondContact O-CA 3.39Å; I37-V56 HydrophobicContact CG2-CB 3.81Å; I37-V56 PolarHBondContact N-O 3.5Å; I37-V56 PolarHBondContact O-N 3.38Å; I37-I61 HydrophobicContact CG2-CD1 4.46Å; I37-I83 HydrophobicContact CD1-CD1 3.81Å; I37-I83 HydrophobicContact CG2-CD1 4.27Å; I37-W103 HydrophobicContact CD1-CE3 4.3Å; I37-W103 HydrophobicContact CD1-CZ3 3.74Å; I37-W103 HydrophobicContact CG1-CZ3 4.37Å; I37-L107 HydrophobicContact CD1-CD1 4.4Å; I37-L107 HydrophobicContact CD1-CD2 4.37Å |
| 38 | A | 94.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 148.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F30 I31 Y40 L52 G54 A55 | F30-A38 CarbonylContact C-O 3.45Å; F30-A38 WeakPolarHBondContact CA-O 3.38Å; I31-A38 PolarHBondContact N-O 3.01Å; I31-A38 PolarHBondContact O-N 3.4Å; A38-Y40 HydrophobicContact CB-CE2 3.88Å; A38-L52 HydrophobicContact CB-CD1 3.89Å; A38-G54 WeakPolarHBondContact CA-O 3.47Å; A38-A55 HydrophobicContact CB-CB 4.03Å |
| 39 | Y | 94.5 | Very high | 87.4 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 9% | 0.086 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 137.6 | 175.5 | 58.1 | -90.7 | 0 | 0 | 0 | 112.2 | K12 R28 W29 F30 K53 G54 L90 | K12-Y39 HydrophobicContact CD-CD2 3.87Å; K12-Y39 HydrophobicContact CD-CE1 4.38Å; K12-Y39 HydrophobicContact CD-CE2 3.63Å; K12-Y39 HydrophobicContact CD-CG 4.35Å; K12-Y39 WeakPolarHBondContact CE-OH 3.21Å; K12-Y39 PolarHBondContact NZ-OH 3.25Å; R28-Y39 HydrophobicContact CG-CD2 4.37Å; W29-Y39 CarbonylContact O-C 3.55Å; W29-Y39 VanDerWaalsContact O-CA 3.29Å; W29-Y39 WeakPolarHBondContact O-CA 3.37Å; F30-Y39 HydrophobicContact CD1-CD1 4.39Å; F30-Y39 HydrophobicContact CD1-CG 4.43Å; F30-Y39 AromaticContact CE1-CD1 3.76Å; F30-Y39 HydrophobicContact CE1-CD1 3.76Å; F30-Y39 AromaticContact CE1-CG 3.91Å; F30-Y39 HydrophobicContact CE1-CG 3.91Å; F30-Y39 HydrophobicContact CZ-CD1 4.22Å; F30-Y39 HydrophobicContact CZ-CG 4.04Å; Y39-K53 HydrophobicContact CD2-CB 3.77Å; Y39-K53 HydrophobicContact CE2-CB 3.72Å; Y39-K53 PolarHBondContact O-N 2.92Å; Y39-G54 WeakPolarHBondContact CD1-O 3.06Å; Y39-G54 PolarHBondContact N-O 3.18Å; Y39-G54 PolarHBondContact O-N 2.87Å; Y39-L90 HydrophobicContact CE1-CD2 4.48Å |
| 40 | Y | 92.9 | Very high | 86.9 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 19% | 0.188 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 156 | -172.7 | -58.5 | -102.1 | 0 | 0 | 0 | 110 | R28 W29 I31 A38 F42 R49 G51 L52 | R28-Y40 WeakPolarHBondContact CA-O 3.4Å; R28-Y40 WeakPolarHBondContact CB-O 3.17Å; R28-Y40 WeakPolarHBondContact CD-O 3.26Å; W29-Y40 PolarHBondContact N-O 3.4Å; W29-Y40 WeakPolarHBondContact O-CD2 3.19Å; W29-Y40 PolarHBondContact O-N 3.14Å; I31-Y40 HydrophobicContact CB-CE2 4.31Å; I31-Y40 HydrophobicContact CD1-CD2 4.14Å; I31-Y40 HydrophobicContact CD1-CE2 3.71Å; I31-Y40 HydrophobicContact CG1-CD2 4.37Å; I31-Y40 HydrophobicContact CG1-CE2 4.08Å; A38-Y40 HydrophobicContact CB-CE2 3.88Å; Y40-F42 PolarHBondContact O-N 2.84Å; Y40-R49 HydrophobicContact CD1-CG 4.02Å; Y40-R49 HydrophobicContact CD2-CG 4.33Å; Y40-R49 HydrophobicContact CG-CG 3.72Å; Y40-G51 WeakPolarHBondContact CA-O 3.42Å; Y40-L52 HydrophobicContact CD1-CB 3.93Å; Y40-L52 HydrophobicContact CD1-CD1 4.08Å; Y40-L52 HydrophobicContact CD2-CD1 4.45Å; Y40-L52 HydrophobicContact CE1-CB 3.78Å; Y40-L52 HydrophobicContact CE1-CD1 3.67Å; Y40-L52 HydrophobicContact CE1-CG 4.3Å; Y40-L52 HydrophobicContact CE2-CD1 4.06Å; Y40-L52 HydrophobicContact CG-CD1 4.44Å |
| 41 | D | 87.9 | Confident | 86.4 | Confident | 28 Ų | 28 | 69.3 Ų | 69.3 | 15% | 0.15 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 137.6 | 165.9 | -82 | -27.5 | 0 | 0 | 0 | 110 | R28 K50 G51 K53 | R28-D41 IonicContact CZ-OD1 2.75Å; R28-D41 IonicContact NE-OD1 2.73Å; R28-D41 PolarHBondContact NE-OD1 3.26Å; R28-D41 IonicContact NH1-OD1 3.59Å; R28-D41 PolarHBondContact NH1-OD1 2.73Å; R28-D41 IonicContact NH2-OD1 2.69Å; R28-D41 PolarHBondContact NH2-OD1 3.45Å; D41-K50 HydrophobicContact CB-CB 3.72Å; D41-K50 PolarHBondContact O-N 2.77Å; D41-G51 PolarHBondContact N-O 3.42Å; D41-K53 HydrophobicContact CB-CG 4.46Å; D41-K53 VanDerWaalsContact OD1-CE 3.22Å; D41-K53 WeakPolarHBondContact OD1-CE 3.39Å; D41-K53 VanDerWaalsContact OD1-CG 3.27Å; D41-K53 WeakPolarHBondContact OD1-CG 3.37Å; D41-K53 IonicContact OD1-NZ 2.71Å; D41-K53 WeakPolarHBondContact OD2-CE 3.32Å; D41-K53 IonicContact OD2-NZ 2.66Å; D41-K53 PolarHBondContact OD2-NZ 3.36Å |
| 42 | F | 84.8 | Confident | 86.2 | Confident | 41 Ų | 41 | 73.8 Ų | 73.8 | 18% | 0.18 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130 | 176.3 | 178.6 | -119.3 | 0 | 0 | 0 | 109.1 | I9 E27 W29 Y40 | I9-F42 HydrophobicContact CD1-CD1 4.3Å; I9-F42 HydrophobicContact CD1-CD2 4.15Å; I9-F42 HydrophobicContact CD1-CE1 3.78Å; I9-F42 HydrophobicContact CD1-CE2 3.6Å; I9-F42 HydrophobicContact CD1-CG 4.47Å; I9-F42 HydrophobicContact CD1-CZ 3.4Å; I9-F42 HydrophobicContact CG1-CD2 4.4Å; I9-F42 HydrophobicContact CG1-CE1 4.49Å; I9-F42 HydrophobicContact CG1-CE2 4.32Å; I9-F42 HydrophobicContact CG1-CG 4.5Å; I9-F42 HydrophobicContact CG1-CZ 4.37Å; I9-F42 HydrophobicContact CG2-CD1 3.94Å; I9-F42 HydrophobicContact CG2-CE1 4.18Å; I9-F42 HydrophobicContact CG2-CG 4.42Å; E27-F42 HydrophobicContact CB-CD1 4.26Å; W29-F42 AromaticContact CE3-CD2 3.71Å; W29-F42 HydrophobicContact CE3-CD2 3.71Å; W29-F42 AromaticContact CE3-CE2 3.92Å; W29-F42 HydrophobicContact CE3-CE2 3.92Å; W29-F42 HydrophobicContact CZ3-CD2 4.27Å; W29-F42 HydrophobicContact CZ3-CE2 4.04Å; Y40-F42 PolarHBondContact O-N 2.84Å |
| 43 | D | 78.9 | Confident | 86 | Confident | 19 Ų | 19 | 79.1 Ų | 79.1 | 10% | 0.102 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 105.9 | 171.7 | -170.6 | -38.3 | 0 | 0 | 0 | 108.4 | E45 K46 G47 K48 K50 | D43-E45 VanDerWaalsContact C-N 3.31Å; D43-E45 PolarHBondContact OD1-N 3.33Å; D43-E45 VanDerWaalsContact OD1-N 3.11Å; D43-K46 HydrophobicContact CB-CB 4.35Å; D43-K46 PolarHBondContact OD1-N 3.04Å; D43-G47 WeakPolarHBondContact O-CA 3.42Å; D43-G47 PolarHBondContact O-N 3.25Å; D43-K48 PolarHBondContact N-O 2.85Å; D43-K48 VanDerWaalsContact N-O 3.16Å; D43-K48 PolarHBondContact O-N 2.95Å; D43-K50 HydrophobicContact CB-CD 4.23Å; D43-K50 WeakPolarHBondContact OD2-CE 3.39Å; D43-K50 IonicContact OD2-NZ 2.65Å; D43-K50 PolarHBondContact OD2-NZ 2.81Å |
| 44 | S | 73.1 | Confident | 85.8 | Confident | 86 Ų | 86 | 78.7 Ų | 78.7 | 60% | 0.601 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -27.8 | -177.9 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 45 | E | 72.3 | Confident | 86 | Confident | 176 Ų | 176 | 74.2 Ų | 74.2 | 82% | 0.822 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -37 | 178.8 | -63 | -172.9 | 165.1 | 0 | 0 | 111.9 | D43 | D43-E45 VanDerWaalsContact C-N 3.31Å; D43-E45 PolarHBondContact OD1-N 3.33Å; D43-E45 VanDerWaalsContact OD1-N 3.11Å |
| 46 | K | 72.5 | Confident | 86.1 | Confident | 151 Ų | 151 | 67.2 Ų | 67.2 | 66% | 0.657 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -8 | -176.9 | -63.1 | -178.2 | -178.7 | 175.1 | 0 | 114.1 | D43 K48 | D43-K46 HydrophobicContact CB-CB 4.35Å; D43-K46 PolarHBondContact OD1-N 3.04Å; K46-K48 PolarHBondContact O-N 2.83Å |
| 47 | G | 73.9 | Confident | 86 | Confident | 46 Ų | 46 | 66 Ų | 66 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 26.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | D43 | D43-G47 WeakPolarHBondContact O-CA 3.42Å; D43-G47 PolarHBondContact O-N 3.25Å |
| 48 | K | 79.6 | Confident | 85.9 | Confident | 147 Ų | 147 | 66.3 Ų | 66.3 | 64% | 0.639 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.5 | -171.6 | -75.9 | -178.9 | -176.4 | -176.9 | 0 | 113 | D43 K46 | D43-K48 PolarHBondContact N-O 2.85Å; D43-K48 VanDerWaalsContact N-O 3.16Å; D43-K48 PolarHBondContact O-N 2.95Å; K46-K48 PolarHBondContact O-N 2.83Å |
| 49 | R | 81.9 | Confident | 85.8 | Confident | 127 Ų | 127 | 72.9 Ų | 72.9 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 128.6 | 169.8 | -171 | -179.6 | 71.1 | -171.6 | 0.7 | 110.2 | W29 Y40 | W29-R49 HydrophobicContact CB-CG 4.49Å; W29-R49 HydrophobicContact CD2-CB 4.39Å; W29-R49 HydrophobicContact CE3-CB 4.22Å; W29-R49 HydrophobicContact CG-CG 4.47Å; Y40-R49 HydrophobicContact CD1-CG 4.02Å; Y40-R49 HydrophobicContact CD2-CG 4.33Å; Y40-R49 HydrophobicContact CG-CG 3.72Å |
| 50 | K | 83.7 | Confident | 85.7 | Confident | 117 Ų | 117 | 75.8 Ų | 75.8 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -149.2 | 175.7 | -73 | -178.7 | 173.3 | 166.4 | 0 | 110.6 | D41 D43 | D41-K50 HydrophobicContact CB-CB 3.72Å; D41-K50 PolarHBondContact O-N 2.77Å; D43-K50 HydrophobicContact CB-CD 4.23Å; D43-K50 WeakPolarHBondContact OD2-CE 3.39Å; D43-K50 IonicContact OD2-NZ 2.65Å; D43-K50 PolarHBondContact OD2-NZ 2.81Å |
| 51 | G | 86.3 | Confident | 85.7 | Confident | 45 Ų | 45 | 73.6 Ų | 73.6 | 46% | 0.464 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 150 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y40 D41 K53 | Y40-G51 WeakPolarHBondContact CA-O 3.42Å; D41-G51 PolarHBondContact N-O 3.42Å; G51-K53 PolarHBondContact O-N 2.9Å |
| 52 | L | 91 | Very high | 85.9 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 51% | 0.508 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126.6 | 173.2 | 179 | 67.5 | 0 | 0 | 0 | 109.6 | A38 Y40 | A38-L52 HydrophobicContact CB-CD1 3.89Å; Y40-L52 HydrophobicContact CD1-CB 3.93Å; Y40-L52 HydrophobicContact CD1-CD1 4.08Å; Y40-L52 HydrophobicContact CD2-CD1 4.45Å; Y40-L52 HydrophobicContact CE1-CB 3.78Å; Y40-L52 HydrophobicContact CE1-CD1 3.67Å; Y40-L52 HydrophobicContact CE1-CG 4.3Å; Y40-L52 HydrophobicContact CE2-CD1 4.06Å; Y40-L52 HydrophobicContact CG-CD1 4.44Å |
| 53 | K | 90.3 | Very high | 86.3 | Confident | 113 Ų | 113 | 73 Ų | 73 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -25.7 | 178.6 | -75.2 | -48.8 | -147.1 | -130.7 | 0 | 113.8 | Y39 D41 G51 | Y39-K53 HydrophobicContact CD2-CB 3.77Å; Y39-K53 HydrophobicContact CE2-CB 3.72Å; Y39-K53 PolarHBondContact O-N 2.92Å; D41-K53 HydrophobicContact CB-CG 4.46Å; D41-K53 VanDerWaalsContact OD1-CE 3.22Å; D41-K53 WeakPolarHBondContact OD1-CE 3.39Å; D41-K53 VanDerWaalsContact OD1-CG 3.27Å; D41-K53 WeakPolarHBondContact OD1-CG 3.37Å; D41-K53 IonicContact OD1-NZ 2.71Å; D41-K53 WeakPolarHBondContact OD2-CE 3.32Å; D41-K53 IonicContact OD2-NZ 2.66Å; D41-K53 PolarHBondContact OD2-NZ 3.36Å; G51-K53 PolarHBondContact O-N 2.9Å |
| 54 | G | 90.8 | Very high | 87.1 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | 167.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A38 Y39 | A38-G54 WeakPolarHBondContact CA-O 3.47Å; Y39-G54 WeakPolarHBondContact CD1-O 3.06Å; Y39-G54 PolarHBondContact N-O 3.18Å; Y39-G54 PolarHBondContact O-N 2.87Å |
| 55 | A | 93.7 | Very high | 88.1 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | K36 I37 A38 | K36-A55 HydrophobicContact CD-CB 4.17Å; I37-A55 CarbonylContact O-C 3.6Å; I37-A55 VanDerWaalsContact O-CA 3.26Å; I37-A55 WeakPolarHBondContact O-CA 3.39Å; A38-A55 HydrophobicContact CB-CB 4.03Å |
| 56 | V | 93.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 117.9 | 172.6 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | K36 I37 I61 Y85 L90 | K36-V56 WeakPolarHBondContact CA-O 3.29Å; K36-V56 WeakPolarHBondContact CB-O 3.41Å; I37-V56 HydrophobicContact CG2-CB 3.81Å; I37-V56 PolarHBondContact N-O 3.5Å; I37-V56 PolarHBondContact O-N 3.38Å; V56-I61 HydrophobicContact CG1-CD1 4.25Å; V56-I61 HydrophobicContact CG1-CG1 3.73Å; V56-Y85 HydrophobicContact CG1-CD1 4.01Å; V56-Y85 HydrophobicContact CG1-CD2 4.03Å; V56-Y85 HydrophobicContact CG1-CG 3.71Å; V56-Y85 HydrophobicContact CG2-CD1 4.09Å; V56-Y85 HydrophobicContact CG2-CE1 3.87Å; V56-Y85 HydrophobicContact CG2-CE2 4.3Å; V56-Y85 HydrophobicContact CG2-CG 4.42Å; V56-L90 HydrophobicContact CG2-CD2 4.15Å |
| 57 | D | 94.3 | Very high | 90.2 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 133.5 | 175 | -54 | -38.7 | 0 | 0 | 0 | 109 | E59 K60 | D57-E59 HydrophobicContact CB-CG 4.11Å; D57-E59 PolarHBondContact O-N 3.33Å; D57-K60 HydrophobicContact CB-CD 4.23Å; D57-K60 HydrophobicContact CB-CG 4.31Å; D57-K60 PolarHBondContact O-N 3.24Å; D57-K60 IonicContact OD2-NZ 2.71Å; D57-K60 PolarHBondContact OD2-NZ 3.33Å |
| 58 | L | 92.6 | Very high | 91 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -62.6 | -31.8 | -173.7 | -67.3 | -175.5 | 0 | 0 | 0 | 111.8 | L32 Q34 E35 K60 I61 L107 L110 V111 N114 | L32-L58 HydrophobicContact CD1-CD1 4.28Å; L32-L58 HydrophobicContact CD1-CD2 3.95Å; Q34-L58 WeakPolarHBondContact O-CD1 3.49Å; E35-L58 WeakPolarHBondContact O-CB 3.3Å; E35-L58 PolarHBondContact O-N 3.4Å; L58-K60 PolarHBondContact O-N 3.15Å; L58-I61 HydrophobicContact CD2-CD1 3.55Å; L58-I61 WeakPolarHBondContact O-CB 3.29Å; L58-I61 PolarHBondContact O-N 2.9Å; L58-L107 HydrophobicContact CD2-CD2 4.06Å; L58-L110 HydrophobicContact CD1-CB 3.9Å; L58-L110 HydrophobicContact CD1-CD1 3.75Å; L58-L110 HydrophobicContact CD1-CG 4.33Å; L58-V111 HydrophobicContact CB-CG1 4.38Å; L58-V111 HydrophobicContact CD2-CG1 4.42Å; L58-N114 PolarHBondContact O-ND2 2.76Å |
| 59 | E | 92.1 | Very high | 91.2 | Very high | 141 Ų | 141 | 55.5 Ų | 55.5 | 66% | 0.659 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -62.1 | -27.3 | 176.2 | 66.6 | 180 | -175 | 0 | 0 | 113.5 | D57 N114 | D57-E59 HydrophobicContact CB-CG 4.11Å; D57-E59 PolarHBondContact O-N 3.33Å; E59-N114 PolarHBondContact O-ND2 2.84Å |
| 60 | K | 92.4 | Very high | 91 | Very high | 83 Ų | 83 | 52 Ų | 52 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -87.3 | -8.2 | -178.8 | -63.4 | 178.8 | -177.5 | 150.9 | 0 | 113 | D57 L58 K62 Y85 | D57-K60 HydrophobicContact CB-CD 4.23Å; D57-K60 HydrophobicContact CB-CG 4.31Å; D57-K60 PolarHBondContact O-N 3.24Å; D57-K60 IonicContact OD2-NZ 2.71Å; D57-K60 PolarHBondContact OD2-NZ 3.33Å; L58-K60 PolarHBondContact O-N 3.15Å; K60-K62 PolarHBondContact O-N 2.87Å; K60-Y85 WeakPolarHBondContact O-CA 3.31Å; K60-Y85 WeakPolarHBondContact O-CB 3.31Å |
| 61 | I | 94.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | trans | -74.5 | 123.3 | -179.8 | -62.9 | 178.4 | 0 | 0 | 0 | 109.3 | I37 V56 L58 V64 I83 V111 N114 | I37-I61 HydrophobicContact CG2-CD1 4.46Å; V56-I61 HydrophobicContact CG1-CD1 4.25Å; V56-I61 HydrophobicContact CG1-CG1 3.73Å; L58-I61 HydrophobicContact CD2-CD1 3.55Å; L58-I61 WeakPolarHBondContact O-CB 3.29Å; L58-I61 PolarHBondContact O-N 2.9Å; I61-V64 HydrophobicContact CG2-CG2 3.57Å; I61-I83 HydrophobicContact CB-CG2 4.44Å; I61-I83 HydrophobicContact CD1-CG2 3.72Å; I61-I83 HydrophobicContact CG1-CG2 3.78Å; I61-I83 HydrophobicContact CG2-CG2 3.89Å; I61-V111 HydrophobicContact CB-CG1 3.83Å; I61-V111 HydrophobicContact CD1-CG1 4.01Å; I61-V111 HydrophobicContact CG1-CG1 4.44Å; I61-V111 HydrophobicContact CG2-CB 4.45Å; I61-V111 HydrophobicContact CG2-CG1 3.99Å; I61-V111 HydrophobicContact CG2-CG2 4.34Å; I61-N114 PolarHBondContact O-ND2 2.94Å | ||
| 62 | K | 92.6 | Very high | 89.9 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 24% | 0.243 | 31% | 0.311 | C | S | . | . | trans | -101.8 | -23.4 | -178.6 | -52.7 | -173.1 | 179 | 171.8 | 0 | 113 | K60 I84 D86 D116 L117 M118 | K60-K62 PolarHBondContact O-N 2.87Å; K62-I84 PolarHBondContact N-O 2.84Å; K62-D86 WeakPolarHBondContact CE-OD1 3.5Å; K62-D86 IonicContact NZ-OD1 2.63Å; K62-D86 PolarHBondContact NZ-OD1 2.75Å; K62-D116 WeakPolarHBondContact CB-O 2.93Å; K62-D116 WeakPolarHBondContact CG-O 3.42Å; K62-L117 WeakPolarHBondContact O-CA 3.48Å; K62-M118 HydrophobicContact CB-CG 3.76Å; K62-M118 HydrophobicContact CB-SD 4.39Å; K62-M118 PolarHBondContact O-N 2.83Å | ||
| 63 | C | 92.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 143.9 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | I84 M118 | C63-I84 HydrophobicContact CB-CB 4.11Å; C63-I84 HydrophobicContact CB-CD1 4.12Å; C63-I84 HydrophobicContact CB-CG1 4.34Å; C63-I84 PolarHBondContact N-O 2.72Å; C63-I84 PolarHBondContact O-N 3.14Å; C63-M118 HydrophobicContact CB-CE 3.41Å; C63-M118 VanDerWaalsContact CB-CE 3.41Å |
| 64 | V | 94.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 115.6 | 168.2 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | I61 F81 Q82 I83 I104 L107 K108 V111 | I61-V64 HydrophobicContact CG2-CG2 3.57Å; V64-F81 HydrophobicContact CG1-CD2 4.48Å; V64-Q82 WeakPolarHBondContact CA-O 3.41Å; V64-I83 HydrophobicContact CG1-CG1 4.42Å; V64-I83 HydrophobicContact CG2-CG1 4.33Å; V64-I83 HydrophobicContact CG2-CG2 4.39Å; V64-I104 HydrophobicContact CG1-CG1 4.37Å; V64-I104 HydrophobicContact CG1-CG2 4.37Å; V64-L107 HydrophobicContact CB-CB 4.48Å; V64-L107 HydrophobicContact CG1-CB 4.04Å; V64-L107 HydrophobicContact CG1-CD1 4.08Å; V64-L107 HydrophobicContact CG2-CB 4.14Å; V64-K108 HydrophobicContact CB-CG 4.32Å; V64-K108 WeakPolarHBondContact O-CE 3.49Å; V64-V111 HydrophobicContact CG2-CG2 4.48Å |
| 65 | E | 95 | Very high | 88.3 | Confident | 25 Ų | 25 | 58.4 Ų | 58.4 | 12% | 0.117 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 163.5 | -177.4 | -95.8 | -59.6 | 172.7 | 0 | 0 | 113.5 | F81 Q82 K108 Y121 L147 | E65-F81 CarbonylContact O-C 3.45Å; E65-F81 WeakPolarHBondContact O-CA 3.34Å; E65-F81 WeakPolarHBondContact O-CB 3.44Å; E65-Q82 PolarHBondContact N-O 3Å; E65-Q82 VanDerWaalsContact N-O 3.13Å; E65-Q82 PolarHBondContact O-N 2.86Å; E65-K108 VanDerWaalsContact CD-NZ 3.27Å; E65-K108 IonicContact OE1-NZ 3.7Å; E65-K108 PolarHBondContact OE1-NZ 3.49Å; E65-K108 IonicContact OE2-NZ 2.95Å; E65-Y121 HydrophobicContact CB-CD2 3.9Å; E65-Y121 HydrophobicContact CB-CE2 3.65Å; E65-Y121 HydrophobicContact CB-CG 4.49Å; E65-Y121 HydrophobicContact CG-CD1 4.27Å; E65-Y121 HydrophobicContact CG-CD2 4.17Å; E65-Y121 HydrophobicContact CG-CE1 3.92Å; E65-Y121 HydrophobicContact CG-CE2 3.81Å; E65-Y121 HydrophobicContact CG-CG 4.38Å; E65-L147 HydrophobicContact CG-CD1 3.82Å |
| 66 | T | 94.4 | Very high | 87.8 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 32% | 0.319 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 149.6 | 169.9 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | I104 | T66-I104 HydrophobicContact CG2-CD1 3.54Å |
| 67 | V | 93.5 | Very high | 87.5 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | trans | -115.1 | 135.7 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | A80 Q82 Y91 P123 F125 | V67-A80 HydrophobicContact CB-CB 4.01Å; V67-A80 PolarHBondContact N-O 3.07Å; V67-Q82 HydrophobicContact CG2-CB 3.61Å; V67-Q82 HydrophobicContact CG2-CG 3.7Å; V67-Y91 HydrophobicContact CG1-CE1 4.46Å; V67-Y91 HydrophobicContact CG2-CD1 3.98Å; V67-Y91 HydrophobicContact CG2-CE1 4.08Å; V67-P123 CarbonylContact C-O 3.58Å; V67-P123 WeakPolarHBondContact CA-O 3.4Å; V67-F125 HydrophobicContact CB-CE1 4.45Å; V67-F125 HydrophobicContact CB-CZ 4.33Å; V67-F125 HydrophobicContact CG1-CD1 3.93Å; V67-F125 HydrophobicContact CG1-CD2 4.03Å; V67-F125 HydrophobicContact CG1-CE1 3.7Å; V67-F125 HydrophobicContact CG1-CE2 3.77Å; V67-F125 HydrophobicContact CG1-CG 4.1Å; V67-F125 HydrophobicContact CG1-CZ 3.61Å | ||
| 68 | Q | 90.4 | Very high | 87.2 | Confident | 107 Ų | 107 | 65.8 Ų | 65.8 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 131.4 | 176.8 | -68.3 | -177.1 | -2.8 | 0 | 0 | 109.8 | P123 C124 F125 | Q68-P123 HydrophobicContact CG-CB 4.37Å; Q68-P123 PolarHBondContact N-O 3.41Å; Q68-C124 PolarHBondContact OE1-SG 2.88Å; Q68-F125 WeakPolarHBondContact O-CE2 3.32Å |
| 69 | P | 83.7 | Confident | 87.2 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 150.8 | 179.5 | 27.8 | -33.4 | 0 | 0 | 0 | 110.9 | M78 | P69-M78 HydrophobicContact CB-SD 4.47Š|
| 70 | E | 79.4 | Confident | 87.3 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 147.3 | 173.8 | -58.9 | 175.1 | 108.1 | 0 | 0 | 109.8 | N72 A73 R77 F125 | E70-N72 PolarHBondContact O-N 2.74Å; E70-A73 HydrophobicContact CB-CB 4.25Å; E70-A73 PolarHBondContact O-N 3.05Å; E70-A73 VanDerWaalsContact O-N 3.11Å; E70-R77 IonicContact OE2-NH1 3.18Å; E70-F125 HydrophobicContact CG-CD2 3.79Å; E70-F125 HydrophobicContact CG-CE2 3.75Å |
| 71 | P | 70.5 | Confident | 87.5 | Confident | 132 Ų | 132 | 58.4 Ų | 58.4 | 86% | 0.857 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -17.1 | -173.4 | -25.8 | 33.6 | 0 | 0 | 0 | 115.8 | ||
| 72 | N | 75.4 | Confident | 87.5 | Confident | 159 Ų | 159 | 58.3 Ų | 58.3 | 85% | 0.85 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.5 | 32.7 | 179.8 | -66.3 | -37.4 | 0 | 0 | 0 | 112.4 | E70 | E70-N72 PolarHBondContact O-N 2.74Š|
| 73 | A | 77.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | -65 | 136.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E70 R77 M78 | E70-A73 HydrophobicContact CB-CB 4.25Å; E70-A73 PolarHBondContact O-N 3.05Å; E70-A73 VanDerWaalsContact O-N 3.11Å; A73-R77 HydrophobicContact CB-CB 4.19Å; A73-M78 HydrophobicContact CB-SD 4.12Å | ||
| 74 | P | 82.5 | Confident | 87.6 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | trans | -62.1 | 157.5 | 170.3 | 27.7 | -34 | 0 | 0 | 0 | 110.4 | E76 R77 | P74-E76 HydrophobicContact CB-CG 4.11Å; P74-E76 HydrophobicContact CG-CG 4.11Å; P74-E76 PolarHBondContact O-N 3.08Å; P74-E76 VanDerWaalsContact O-N 3.09Å; P74-R77 VanDerWaalsContact CD-CZ 3.43Å; P74-R77 VanDerWaalsContact CD-NH2 3.27Å; P74-R77 HydrophobicContact CG-CB 4.26Å; P74-R77 HydrophobicContact CG-CG 4.26Å; P74-R77 VanDerWaalsContact CG-NH2 3.31Å; P74-R77 WeakPolarHBondContact O-CA 3.21Å; P74-R77 PolarHBondContact O-N 2.9Å | ||
| 75 | Q | 79.6 | Confident | 87.4 | Confident | 169 Ų | 169 | 57 Ų | 57 | 79% | 0.79 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -53.7 | -37 | -171.5 | -170.2 | 171.1 | -0.2 | 0 | 0 | 113.5 | R77 M78 | Q75-R77 PolarHBondContact O-N 2.86Å; Q75-M78 WeakPolarHBondContact O-CB 3.38Å; Q75-M78 WeakPolarHBondContact O-CG 3.27Å; Q75-M78 PolarHBondContact O-N 3.11Å |
| 76 | E | 82.1 | Confident | 86.8 | Confident | 120 Ų | 120 | 59.3 Ų | 59.3 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -65.1 | -15 | 175.5 | 53.4 | 175.7 | -161.7 | 0 | 0 | 115.1 | I11 P74 | I11-E76 HydrophobicContact CD1-CB 4.09Å; P74-E76 HydrophobicContact CB-CG 4.11Å; P74-E76 HydrophobicContact CG-CG 4.11Å; P74-E76 PolarHBondContact O-N 3.08Å; P74-E76 VanDerWaalsContact O-N 3.09Å |
| 77 | R | 87.9 | Confident | 86.2 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 23% | 0.226 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -111.3 | 9.9 | 179.9 | -71.5 | -169.6 | -82 | 153.6 | -9.8 | 113.6 | E70 A73 P74 Q75 F93 | E70-R77 IonicContact OE2-NH1 3.18Å; A73-R77 HydrophobicContact CB-CB 4.19Å; P74-R77 VanDerWaalsContact CD-CZ 3.43Å; P74-R77 VanDerWaalsContact CD-NH2 3.27Å; P74-R77 HydrophobicContact CG-CB 4.26Å; P74-R77 HydrophobicContact CG-CG 4.26Å; P74-R77 VanDerWaalsContact CG-NH2 3.31Å; P74-R77 WeakPolarHBondContact O-CA 3.21Å; P74-R77 PolarHBondContact O-N 2.9Å; Q75-R77 PolarHBondContact O-N 2.86Å; R77-F93 HydrophobicContact CB-CD1 3.85Å; R77-F93 HydrophobicContact CB-CE1 3.98Å; R77-F93 HydrophobicContact CG-CD1 4.05Å; R77-F93 HydrophobicContact CG-CE1 4.19Å; R77-F93 HydrophobicContact CG-CG 4.36Å; R77-F93 WeakPolarHBondContact O-CD1 3.3Å |
| 78 | M | 87.2 | Confident | 85.9 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -73 | -31.3 | -177.8 | -69.4 | -62.2 | -67.5 | 0 | 0 | 113.5 | P69 A73 Q75 A80 | P69-M78 HydrophobicContact CB-SD 4.47Å; A73-M78 HydrophobicContact CB-SD 4.12Å; Q75-M78 WeakPolarHBondContact O-CB 3.38Å; Q75-M78 WeakPolarHBondContact O-CG 3.27Å; Q75-M78 PolarHBondContact O-N 3.11Å; M78-A80 PolarHBondContact O-N 3.15Å |
| 79 | Y | 92.7 | Very high | 85.9 | Confident | 79 Ų | 79 | 57.7 Ų | 57.7 | 31% | 0.31 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 65.4 | -174 | -49.2 | -68.6 | 0 | 0 | 0 | 111.7 | F93 A94 K95 D97 | Y79-F93 WeakPolarHBondContact O-CA 3.33Å; Y79-A94 PolarHBondContact O-N 2.75Å; Y79-K95 WeakPolarHBondContact CD2-O 3.44Å; Y79-D97 HydrophobicContact CD1-CB 3.69Å; Y79-D97 HydrophobicContact CE1-CB 3.66Å |
| 80 | A | 94.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 144 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | V67 M78 I92 F93 R100 F125 | V67-A80 HydrophobicContact CB-CB 4.01Å; V67-A80 PolarHBondContact N-O 3.07Å; M78-A80 PolarHBondContact O-N 3.15Å; A80-I92 CarbonylContact C-O 3.53Å; A80-I92 WeakPolarHBondContact CA-O 3.27Å; A80-F93 HydrophobicContact CB-CD1 3.57Å; A80-F93 HydrophobicContact CB-CE1 3.54Å; A80-F93 HydrophobicContact CB-CG 4.49Å; A80-F93 HydrophobicContact CB-CZ 4.43Å; A80-R100 WeakPolarHBondContact O-CD 3.42Å; A80-R100 PolarHBondContact O-NH1 2.57Å; A80-R100 VanDerWaalsContact O-NH1 3.16Å; A80-F125 HydrophobicContact CB-CE1 4.47Å; A80-F125 HydrophobicContact CB-CZ 3.85Å |
| 81 | F | 96.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 163.7 | 165.4 | 72.8 | -81.8 | 0 | 0 | 0 | 110.5 | F10 V64 E65 I83 I92 R100 W103 I104 L107 | F10-F81 HydrophobicContact CE2-CZ 4.44Å; F10-F81 HydrophobicContact CZ-CE1 4.44Å; V64-F81 HydrophobicContact CG1-CD2 4.48Å; E65-F81 CarbonylContact O-C 3.45Å; E65-F81 WeakPolarHBondContact O-CA 3.34Å; E65-F81 WeakPolarHBondContact O-CB 3.44Å; F81-I83 HydrophobicContact CE2-CD1 4.32Å; F81-I83 HydrophobicContact CE2-CG1 4.22Å; F81-I92 HydrophobicContact CD1-CB 4.07Å; F81-I92 HydrophobicContact CD1-CG2 4.34Å; F81-I92 WeakPolarHBondContact CD1-O 3.42Å; F81-I92 HydrophobicContact CE1-CB 3.6Å; F81-I92 HydrophobicContact CE1-CG2 3.47Å; F81-I92 VanDerWaalsContact CE1-CG2 3.47Å; F81-I92 HydrophobicContact CE2-CB 4.13Å; F81-I92 HydrophobicContact CE2-CD1 3.86Å; F81-I92 HydrophobicContact CE2-CG1 4.46Å; F81-I92 HydrophobicContact CZ-CB 3.64Å; F81-I92 HydrophobicContact CZ-CD1 3.8Å; F81-I92 HydrophobicContact CZ-CG1 4.28Å; F81-I92 HydrophobicContact CZ-CG2 3.57Å; F81-I92 PolarHBondContact N-O 2.9Å; F81-I92 PolarHBondContact O-N 3.38Å; F81-R100 HydrophobicContact CB-CG 4.19Å; F81-R100 HydrophobicContact CD1-CG 3.99Å; F81-R100 HydrophobicContact CG-CG 4.4Å; F81-W103 HydrophobicContact CZ-CB 4.48Å; F81-I104 HydrophobicContact CB-CD1 3.64Å; F81-I104 HydrophobicContact CB-CG1 3.93Å; F81-I104 HydrophobicContact CD2-CG1 4Å; F81-I104 HydrophobicContact CG-CD1 4.23Å; F81-I104 HydrophobicContact CG-CG1 4.02Å; F81-L107 HydrophobicContact CE2-CD1 4.12Å |
| 82 | Q | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 146.6 | -178.8 | 64.1 | -171.7 | -39.5 | 0 | 0 | 112.1 | V64 E65 V67 I84 L90 Y91 H122 | V64-Q82 WeakPolarHBondContact CA-O 3.41Å; E65-Q82 PolarHBondContact N-O 3Å; E65-Q82 VanDerWaalsContact N-O 3.13Å; E65-Q82 PolarHBondContact O-N 2.86Å; V67-Q82 HydrophobicContact CG2-CB 3.61Å; V67-Q82 HydrophobicContact CG2-CG 3.7Å; Q82-I84 HydrophobicContact CG-CD1 4.43Å; Q82-I84 HydrophobicContact CG-CG1 4.26Å; Q82-L90 CarbonylContact C-O 3.55Å; Q82-L90 VanDerWaalsContact CA-O 3.26Å; Q82-L90 WeakPolarHBondContact CA-O 3.29Å; Q82-Y91 HydrophobicContact CB-CD1 3.89Å; Q82-Y91 HydrophobicContact CB-CE1 4.04Å; Q82-H122 PolarHBondContact NE2-O 2.82Å |
| 83 | I | 95.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.8 | 166.1 | -57 | 176.6 | 0 | 0 | 0 | 106.8 | I37 I61 V64 F81 L90 I92 L107 | I37-I83 HydrophobicContact CD1-CD1 3.81Å; I37-I83 HydrophobicContact CG2-CD1 4.27Å; I61-I83 HydrophobicContact CB-CG2 4.44Å; I61-I83 HydrophobicContact CD1-CG2 3.72Å; I61-I83 HydrophobicContact CG1-CG2 3.78Å; I61-I83 HydrophobicContact CG2-CG2 3.89Å; V64-I83 HydrophobicContact CG1-CG1 4.42Å; V64-I83 HydrophobicContact CG2-CG1 4.33Å; V64-I83 HydrophobicContact CG2-CG2 4.39Å; F81-I83 HydrophobicContact CE2-CD1 4.32Å; F81-I83 HydrophobicContact CE2-CG1 4.22Å; I83-L90 HydrophobicContact CB-CB 4.3Å; I83-L90 PolarHBondContact N-O 3.35Å; I83-L90 WeakPolarHBondContact O-CB 3.39Å; I83-L90 PolarHBondContact O-N 3.25Å; I83-I92 HydrophobicContact CD1-CD1 3.75Å; I83-I92 HydrophobicContact CG1-CD1 4.28Å; I83-L107 HydrophobicContact CD1-CD1 3.75Å; I83-L107 HydrophobicContact CG1-CD1 4.27Å |
| 84 | I | 91.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124.9 | 178.9 | -54.3 | 176.1 | 0 | 0 | 0 | 108.1 | K62 C63 Q82 P89 M118 | K62-I84 PolarHBondContact N-O 2.84Å; C63-I84 HydrophobicContact CB-CB 4.11Å; C63-I84 HydrophobicContact CB-CD1 4.12Å; C63-I84 HydrophobicContact CB-CG1 4.34Å; C63-I84 PolarHBondContact N-O 2.72Å; C63-I84 PolarHBondContact O-N 3.14Å; Q82-I84 HydrophobicContact CG-CD1 4.43Å; Q82-I84 HydrophobicContact CG-CG1 4.26Å; I84-P89 HydrophobicContact CG1-CB 4.25Å; I84-M118 HydrophobicContact CB-CE 3.84Å; I84-M118 HydrophobicContact CD1-CE 3.4Å; I84-M118 VanDerWaalsContact CD1-CE 3.4Å; I84-M118 HydrophobicContact CG1-CE 4.19Å; I84-M118 HydrophobicContact CG2-CE 3.63Å; I84-M118 HydrophobicContact CG2-SD 4.28Å |
| 85 | Y | 91.6 | Very high | 90.5 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | -171.6 | 176.7 | 70.3 | -75.4 | 0 | 0 | 0 | 109.3 | Q15 V56 K60 E87 G88 L90 | Q15-Y85 PolarHBondContact NE2-OH 3.29Å; Q15-Y85 PolarHBondContact OE1-OH 2.81Å; V56-Y85 HydrophobicContact CG1-CD1 4.01Å; V56-Y85 HydrophobicContact CG1-CD2 4.03Å; V56-Y85 HydrophobicContact CG1-CG 3.71Å; V56-Y85 HydrophobicContact CG2-CD1 4.09Å; V56-Y85 HydrophobicContact CG2-CE1 3.87Å; V56-Y85 HydrophobicContact CG2-CE2 4.3Å; V56-Y85 HydrophobicContact CG2-CG 4.42Å; K60-Y85 WeakPolarHBondContact O-CA 3.31Å; K60-Y85 WeakPolarHBondContact O-CB 3.31Å; Y85-E87 VanDerWaalsContact C-N 3.26Å; Y85-E87 HydrophobicContact CD2-CB 4.3Å; Y85-E87 HydrophobicContact CD2-CG 4.35Å; Y85-E87 HydrophobicContact CE2-CB 3.54Å; Y85-E87 HydrophobicContact CE2-CG 3.57Å; Y85-E87 WeakPolarHBondContact CE2-OE2 3.47Å; Y85-E87 PolarHBondContact O-N 3.29Å; Y85-E87 VanDerWaalsContact O-N 3.12Å; Y85-E87 PolarHBondContact OH-OE2 3.25Å; Y85-G88 WeakPolarHBondContact CD1-O 3.28Å; Y85-G88 PolarHBondContact N-O 2.8Å; Y85-G88 PolarHBondContact O-N 2.99Å; Y85-L90 HydrophobicContact CE1-CB 4.13Å |
| 86 | D | 82.3 | Confident | 91.1 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 39% | 0.385 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -35.3 | -172.3 | -63.2 | -41.7 | 0 | 0 | 0 | 115.3 | K62 G88 Q140 | K62-D86 WeakPolarHBondContact CE-OD1 3.5Å; K62-D86 IonicContact NZ-OD1 2.63Å; K62-D86 PolarHBondContact NZ-OD1 2.75Å; D86-G88 VanDerWaalsContact C-N 3.32Å; D86-G88 PolarHBondContact O-N 3.39Å; D86-Q140 PolarHBondContact O-NE2 2.95Å |
| 87 | E | 81.5 | Confident | 91.6 | Very high | 118 Ų | 118 | 33.5 Ų | 33.5 | 55% | 0.551 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -0.8 | -179.7 | -55.4 | -176.4 | 147.9 | 0 | 0 | 113.8 | Y85 | Y85-E87 VanDerWaalsContact C-N 3.26Å; Y85-E87 HydrophobicContact CD2-CB 4.3Å; Y85-E87 HydrophobicContact CD2-CG 4.35Å; Y85-E87 HydrophobicContact CE2-CB 3.54Å; Y85-E87 HydrophobicContact CE2-CG 3.57Å; Y85-E87 WeakPolarHBondContact CE2-OE2 3.47Å; Y85-E87 PolarHBondContact O-N 3.29Å; Y85-E87 VanDerWaalsContact O-N 3.12Å; Y85-E87 PolarHBondContact OH-OE2 3.25Å |
| 88 | G | 85.9 | Confident | 91.8 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 110.1 | -166.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y85 D86 L90 | Y85-G88 WeakPolarHBondContact CD1-O 3.28Å; Y85-G88 PolarHBondContact N-O 2.8Å; Y85-G88 PolarHBondContact O-N 2.99Å; D86-G88 VanDerWaalsContact C-N 3.32Å; D86-G88 PolarHBondContact O-N 3.39Å; G88-L90 PolarHBondContact O-N 3.21Å |
| 89 | P | 91.1 | Very high | 92.2 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 125.7 | -176.2 | 30.2 | -36.1 | 0 | 0 | 0 | 112.1 | I84 Y91 W131 | I84-P89 HydrophobicContact CG1-CB 4.25Å; P89-Y91 HydrophobicContact CB-CE1 4.01Å; P89-Y91 HydrophobicContact CB-CE2 4.01Å; P89-Y91 HydrophobicContact CG-CE2 3.89Å; P89-Y91 WeakPolarHBondContact CG-OH 3.18Å; P89-W131 HydrophobicContact CB-CH2 4.29Å; P89-W131 HydrophobicContact CG-CH2 3.85Å; P89-W131 HydrophobicContact CG-CZ2 4.46Å |
| 90 | L | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 111.6 | 164.4 | 171.9 | 60.1 | 0 | 0 | 0 | 109.1 | K12 Y39 V56 Q82 I83 Y85 G88 I92 | K12-L90 HydrophobicContact CD-CD1 3.88Å; K12-L90 HydrophobicContact CG-CD1 3.91Å; Y39-L90 HydrophobicContact CE1-CD2 4.48Å; V56-L90 HydrophobicContact CG2-CD2 4.15Å; Q82-L90 CarbonylContact C-O 3.55Å; Q82-L90 VanDerWaalsContact CA-O 3.26Å; Q82-L90 WeakPolarHBondContact CA-O 3.29Å; I83-L90 HydrophobicContact CB-CB 4.3Å; I83-L90 PolarHBondContact N-O 3.35Å; I83-L90 WeakPolarHBondContact O-CB 3.39Å; I83-L90 PolarHBondContact O-N 3.25Å; Y85-L90 HydrophobicContact CE1-CB 4.13Å; G88-L90 PolarHBondContact O-N 3.21Å; L90-I92 HydrophobicContact CD1-CG1 4.47Å; L90-I92 HydrophobicContact CD2-CD1 4.07Å; L90-I92 HydrophobicContact CD2-CG1 4.46Å; L90-I92 HydrophobicContact CG-CD1 4.1Å; L90-I92 HydrophobicContact CG-CG1 3.99Å |
| 91 | Y | 95.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.5 | 177.3 | -56.6 | -69.3 | 0 | 0 | 0 | 111.7 | R13 V67 Q82 P89 F125 W126 W131 | R13-Y91 HydrophobicContact CB-CD2 4.37Å; R13-Y91 PolarHBondContact N-O 3.09Å; V67-Y91 HydrophobicContact CG1-CE1 4.46Å; V67-Y91 HydrophobicContact CG2-CD1 3.98Å; V67-Y91 HydrophobicContact CG2-CE1 4.08Å; Q82-Y91 HydrophobicContact CB-CD1 3.89Å; Q82-Y91 HydrophobicContact CB-CE1 4.04Å; P89-Y91 HydrophobicContact CB-CE1 4.01Å; P89-Y91 HydrophobicContact CB-CE2 4.01Å; P89-Y91 HydrophobicContact CG-CE2 3.89Å; P89-Y91 WeakPolarHBondContact CG-OH 3.18Å; Y91-F125 AromaticContact CD1-CD1 3.67Å; Y91-F125 HydrophobicContact CD1-CD1 3.67Å; Y91-F125 AromaticContact CD1-CE1 3.72Å; Y91-F125 HydrophobicContact CD1-CE1 3.72Å; Y91-F125 HydrophobicContact CD2-CD1 4.09Å; Y91-F125 AromaticContact CE1-CD1 3.72Å; Y91-F125 HydrophobicContact CE1-CD1 3.72Å; Y91-F125 HydrophobicContact CE1-CE1 4.2Å; Y91-F125 HydrophobicContact CE2-CD1 4.12Å; Y91-F125 AromaticContact CG-CD1 3.85Å; Y91-F125 HydrophobicContact CG-CD1 3.85Å; Y91-F125 AromaticContact CG-CE1 3.9Å; Y91-F125 HydrophobicContact CG-CE1 3.9Å; Y91-F125 AromaticContact CZ-CD1 3.94Å; Y91-W126 PolarHBondContact OH-N 2.68Å; Y91-W131 WeakPolarHBondContact OH-CZ3 3.45Å |
| 92 | I | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.6 | -175.6 | -53.2 | 176.4 | 0 | 0 | 0 | 108.4 | F10 I11 F30 A80 F81 I83 L90 | F10-I92 HydrophobicContact CB-CG2 3.37Å; F10-I92 HydrophobicContact CD1-CG2 4.14Å; F10-I92 HydrophobicContact CD2-CG2 3.67Å; F10-I92 HydrophobicContact CE2-CG2 4.46Å; F10-I92 HydrophobicContact CG-CG2 3.47Å; F10-I92 VanDerWaalsContact CG-CG2 3.47Å; I11-I92 CarbonylContact O-C 3.56Å; I11-I92 WeakPolarHBondContact O-CA 3.15Å; F30-I92 HydrophobicContact CD1-CD1 4.29Å; F30-I92 HydrophobicContact CE1-CD1 3.62Å; F30-I92 HydrophobicContact CE1-CG1 4.26Å; F30-I92 HydrophobicContact CE2-CG2 4.37Å; F30-I92 HydrophobicContact CZ-CD1 3.93Å; F30-I92 HydrophobicContact CZ-CG1 4.06Å; F30-I92 HydrophobicContact CZ-CG2 4.34Å; A80-I92 CarbonylContact C-O 3.53Å; A80-I92 WeakPolarHBondContact CA-O 3.27Å; F81-I92 HydrophobicContact CD1-CB 4.07Å; F81-I92 HydrophobicContact CD1-CG2 4.34Å; F81-I92 WeakPolarHBondContact CD1-O 3.42Å; F81-I92 HydrophobicContact CE1-CB 3.6Å; F81-I92 HydrophobicContact CE1-CG2 3.47Å; F81-I92 VanDerWaalsContact CE1-CG2 3.47Å; F81-I92 HydrophobicContact CE2-CB 4.13Å; F81-I92 HydrophobicContact CE2-CD1 3.86Å; F81-I92 HydrophobicContact CE2-CG1 4.46Å; F81-I92 HydrophobicContact CZ-CB 3.64Å; F81-I92 HydrophobicContact CZ-CD1 3.8Å; F81-I92 HydrophobicContact CZ-CG1 4.28Å; F81-I92 HydrophobicContact CZ-CG2 3.57Å; F81-I92 PolarHBondContact N-O 2.9Å; F81-I92 PolarHBondContact O-N 3.38Å; I83-I92 HydrophobicContact CD1-CD1 3.75Å; I83-I92 HydrophobicContact CG1-CD1 4.28Å; L90-I92 HydrophobicContact CD1-CG1 4.47Å; L90-I92 HydrophobicContact CD2-CD1 4.07Å; L90-I92 HydrophobicContact CD2-CG1 4.46Å; L90-I92 HydrophobicContact CG-CD1 4.1Å; L90-I92 HydrophobicContact CG-CG1 3.99Å |
| 93 | F | 95.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.9 | 178.3 | -51.3 | -99.6 | 0 | 0 | 0 | 110.5 | F10 I11 R13 Y25 R77 Y79 A80 F125 | F10-F93 WeakPolarHBondContact CD1-O 3.41Å; I11-F93 HydrophobicContact CB-CB 4.16Å; I11-F93 HydrophobicContact CB-CD2 4.24Å; I11-F93 HydrophobicContact CG2-CD2 4.14Å; I11-F93 PolarHBondContact N-O 2.86Å; I11-F93 WeakPolarHBondContact O-CD2 3.39Å; I11-F93 PolarHBondContact O-N 2.85Å; R13-F93 HydrophobicContact CB-CE2 4.02Å; Y25-F93 HydrophobicContact CD1-CD2 4.31Å; Y25-F93 AromaticContact CD1-CE2 3.7Å; Y25-F93 HydrophobicContact CD1-CE2 3.7Å; Y25-F93 HydrophobicContact CD1-CZ 4.21Å; Y25-F93 HydrophobicContact CE1-CD2 4.5Å; Y25-F93 AromaticContact CE1-CE2 3.53Å; Y25-F93 HydrophobicContact CE1-CE2 3.53Å; Y25-F93 AromaticContact CE1-CZ 3.59Å; Y25-F93 HydrophobicContact CE1-CZ 3.59Å; R77-F93 HydrophobicContact CB-CD1 3.85Å; R77-F93 HydrophobicContact CB-CE1 3.98Å; R77-F93 HydrophobicContact CG-CD1 4.05Å; R77-F93 HydrophobicContact CG-CE1 4.19Å; R77-F93 HydrophobicContact CG-CG 4.36Å; R77-F93 WeakPolarHBondContact O-CD1 3.3Å; Y79-F93 WeakPolarHBondContact O-CA 3.33Å; A80-F93 HydrophobicContact CB-CD1 3.57Å; A80-F93 HydrophobicContact CB-CE1 3.54Å; A80-F93 HydrophobicContact CB-CG 4.49Å; A80-F93 HydrophobicContact CB-CZ 4.43Å; F93-F125 HydrophobicContact CE1-CE1 4.25Å; F93-F125 AromaticContact CE1-CZ 3.81Å; F93-F125 HydrophobicContact CE1-CZ 3.81Å; F93-F125 AromaticContact CZ-CE1 3.89Å; F93-F125 HydrophobicContact CZ-CE1 3.89Å; F93-F125 AromaticContact CZ-CZ 3.9Å; F93-F125 HydrophobicContact CZ-CZ 3.9Å |
| 94 | A | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 154.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F10 Y79 T96 I99 R100 | F10-A94 HydrophobicContact CD1-CB 4.1Å; F10-A94 HydrophobicContact CE1-CB 3.67Å; Y79-A94 PolarHBondContact O-N 2.75Å; A94-T96 VanDerWaalsContact C-N 3.33Å; A94-T96 WeakPolarHBondContact CB-O 3.42Å; A94-I99 HydrophobicContact CB-CB 4.34Å; A94-I99 HydrophobicContact CB-CG2 4.21Å; A94-R100 HydrophobicContact CB-CB 3.76Å |
| 95 | K | 91 | Very high | 92.5 | Very high | 120 Ų | 120 | 44.9 Ų | 44.9 | 52% | 0.522 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -68.8 | -33.3 | 175 | -66.8 | -179.6 | 179.5 | 176.4 | 0 | 112.4 | Y79 I99 | Y79-K95 WeakPolarHBondContact CD2-O 3.44Å; K95-I99 HydrophobicContact CB-CD1 4.41Å |
| 96 | T | 92.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 34% | 0.344 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -137.7 | 160.4 | 179.7 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | A94 D98 I99 R100 | A94-T96 VanDerWaalsContact C-N 3.33Å; A94-T96 WeakPolarHBondContact CB-O 3.42Å; T96-D98 VanDerWaalsContact C-N 3.3Å; T96-D98 PolarHBondContact O-N 3.3Å; T96-I99 PolarHBondContact O-N 3.39Å; T96-I99 WeakPolarHBondContact OG1-CD1 3.4Å; T96-I99 WeakPolarHBondContact OG1-CG1 3.49Å; T96-I99 PolarHBondContact OG1-N 2.98Å; T96-R100 PolarHBondContact O-N 2.94Å |
| 97 | D | 92.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.3 | -34.1 | 175.9 | -164.3 | 33.7 | 0 | 0 | 0 | 112.5 | Y79 I99 R100 A101 | Y79-D97 HydrophobicContact CD1-CB 3.69Å; Y79-D97 HydrophobicContact CE1-CB 3.66Å; D97-I99 PolarHBondContact O-N 3.03Å; D97-R100 WeakPolarHBondContact O-CB 3.35Å; D97-R100 PolarHBondContact O-N 3.03Å; D97-R100 IonicContact OD1-CZ 2.9Å; D97-R100 IonicContact OD1-NE 2.69Å; D97-R100 PolarHBondContact OD1-NE 2.96Å; D97-R100 IonicContact OD1-NH2 3.59Å; D97-R100 PolarHBondContact OD1-NH2 2.93Å; D97-A101 WeakPolarHBondContact O-CB 3.31Å; D97-A101 PolarHBondContact O-N 3.1Å |
| 98 | D | 93.4 | Very high | 93.8 | Very high | 130 Ų | 130 | 41.7 Ų | 41.7 | 70% | 0.695 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -63.1 | -43.6 | 179.4 | -62.4 | -40 | 0 | 0 | 0 | 111.7 | T96 A101 S102 | T96-D98 VanDerWaalsContact C-N 3.3Å; T96-D98 PolarHBondContact O-N 3.3Å; D98-A101 PolarHBondContact O-N 2.93Å; D98-S102 VanDerWaalsContact O-CB 3.28Å; D98-S102 WeakPolarHBondContact O-CB 3.44Å; D98-S102 PolarHBondContact O-N 3.27Å |
| 99 | I | 94.5 | Very high | 94 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 175.7 | -65.8 | 168.4 | 0 | 0 | 0 | 109.5 | E8 F10 A94 K95 T96 D97 A101 S102 W103 | E8-I99 HydrophobicContact CG-CG2 3.81Å; F10-I99 HydrophobicContact CE1-CG2 3.56Å; F10-I99 HydrophobicContact CZ-CG2 3.78Å; A94-I99 HydrophobicContact CB-CB 4.34Å; A94-I99 HydrophobicContact CB-CG2 4.21Å; K95-I99 HydrophobicContact CB-CD1 4.41Å; T96-I99 PolarHBondContact O-N 3.39Å; T96-I99 WeakPolarHBondContact OG1-CD1 3.4Å; T96-I99 WeakPolarHBondContact OG1-CG1 3.49Å; T96-I99 PolarHBondContact OG1-N 2.98Å; D97-I99 PolarHBondContact O-N 3.03Å; I99-A101 PolarHBondContact O-N 2.84Å; I99-S102 PolarHBondContact O-N 2.76Å; I99-W103 VanDerWaalsContact O-CD1 3.29Å; I99-W103 PolarHBondContact O-N 2.84Å |
| 100 | R | 96.1 | Very high | 94.1 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.9 | -51.5 | 176.5 | -179.4 | 175.3 | 67.1 | 168.7 | -0.2 | 111.5 | A80 F81 A94 T96 D97 S102 W103 I104 | A80-R100 WeakPolarHBondContact O-CD 3.42Å; A80-R100 PolarHBondContact O-NH1 2.57Å; A80-R100 VanDerWaalsContact O-NH1 3.16Å; F81-R100 HydrophobicContact CB-CG 4.19Å; F81-R100 HydrophobicContact CD1-CG 3.99Å; F81-R100 HydrophobicContact CG-CG 4.4Å; A94-R100 HydrophobicContact CB-CB 3.76Å; T96-R100 PolarHBondContact O-N 2.94Å; D97-R100 WeakPolarHBondContact O-CB 3.35Å; D97-R100 PolarHBondContact O-N 3.03Å; D97-R100 IonicContact OD1-CZ 2.9Å; D97-R100 IonicContact OD1-NE 2.69Å; D97-R100 PolarHBondContact OD1-NE 2.96Å; D97-R100 IonicContact OD1-NH2 3.59Å; D97-R100 PolarHBondContact OD1-NH2 2.93Å; R100-S102 PolarHBondContact O-N 2.91Å; R100-W103 PolarHBondContact O-N 3.45Å; R100-I104 HydrophobicContact CG-CD1 3.71Å; R100-I104 HydrophobicContact CG-CG1 4.39Å; R100-I104 WeakPolarHBondContact O-CB 3.24Å; R100-I104 VanDerWaalsContact O-CG1 3.28Å; R100-I104 WeakPolarHBondContact O-CG1 3.44Å; R100-I104 PolarHBondContact O-N 2.91Å |
| 101 | A | 94.1 | Very high | 94.1 | Very high | 52 Ų | 52 | 48 Ų | 48 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -42.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D97 D98 I99 K105 | D97-A101 WeakPolarHBondContact O-CB 3.31Å; D97-A101 PolarHBondContact O-N 3.1Å; D98-A101 PolarHBondContact O-N 2.93Å; I99-A101 PolarHBondContact O-N 2.84Å; A101-K105 VanDerWaalsContact O-CB 3.26Å; A101-K105 WeakPolarHBondContact O-CB 3.27Å; A101-K105 PolarHBondContact O-N 3.33Å |
| 102 | S | 95.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 43% | 0.427 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 176.4 | -174.7 | 0 | 0 | 0 | 0 | 112 | D98 I99 R100 K105 K106 | D98-S102 VanDerWaalsContact O-CB 3.28Å; D98-S102 WeakPolarHBondContact O-CB 3.44Å; D98-S102 PolarHBondContact O-N 3.27Å; I99-S102 PolarHBondContact O-N 2.76Å; R100-S102 PolarHBondContact O-N 2.91Å; S102-K105 PolarHBondContact O-N 3.33Å; S102-K106 PolarHBondContact O-N 2.82Å |
| 103 | W | 96.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 63 Ų | 63 | 2% | 0.019 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 179.2 | -87.2 | 77.1 | 0 | 0 | 0 | 113.1 | M6 E8 F10 F30 L32 I37 F81 I99 R100 K105 K106 L107 | M6-W103 HydrophobicContact CB-CH2 4.05Å; M6-W103 HydrophobicContact CB-CZ2 3.68Å; M6-W103 VanDerWaalsContact CE-CD1 3.43Å; M6-W103 HydrophobicContact CE-CD2 4.22Å; M6-W103 HydrophobicContact CE-CG 3.94Å; M6-W103 HydrophobicContact SD-CD2 4.4Å; M6-W103 HydrophobicContact SD-CG 4.45Å; E8-W103 HydrophobicContact CB-CZ2 3.5Å; F10-W103 AromaticContact CE2-CD2 3.56Å; F10-W103 HydrophobicContact CE2-CD2 3.56Å; F10-W103 AromaticContact CE2-CE2 3.53Å; F10-W103 AromaticContact CE2-CE3 3.84Å; F10-W103 HydrophobicContact CE2-CE3 3.84Å; F10-W103 HydrophobicContact CE2-CG 4.05Å; F10-W103 HydrophobicContact CE2-CH2 4.09Å; F10-W103 AromaticContact CE2-CZ2 3.82Å; F10-W103 HydrophobicContact CE2-CZ2 3.82Å; F10-W103 HydrophobicContact CE2-CZ3 4.1Å; F10-W103 AromaticContact CE2-NE1 3.95Å; F10-W103 HydrophobicContact CZ-CB 4.44Å; F10-W103 AromaticContact CZ-CD1 3.61Å; F10-W103 AromaticContact CZ-CD2 3.69Å; F10-W103 HydrophobicContact CZ-CD2 3.69Å; F10-W103 AromaticContact CZ-CE2 3.64Å; F10-W103 HydrophobicContact CZ-CE3 4.4Å; F10-W103 AromaticContact CZ-CG 3.68Å; F10-W103 HydrophobicContact CZ-CG 3.68Å; F10-W103 HydrophobicContact CZ-CZ2 4.32Å; F10-W103 AromaticContact CZ-NE1 3.56Å; F30-W103 HydrophobicContact CB-CH2 3.96Å; F30-W103 HydrophobicContact CB-CZ3 4.33Å; L32-W103 HydrophobicContact CB-CH2 4.04Å; L32-W103 HydrophobicContact CB-CZ3 3.86Å; I37-W103 HydrophobicContact CD1-CE3 4.3Å; I37-W103 HydrophobicContact CD1-CZ3 3.74Å; I37-W103 HydrophobicContact CG1-CZ3 4.37Å; F81-W103 HydrophobicContact CZ-CB 4.48Å; I99-W103 VanDerWaalsContact O-CD1 3.29Å; I99-W103 PolarHBondContact O-N 2.84Å; R100-W103 PolarHBondContact O-N 3.45Å; W103-K105 VanDerWaalsContact C-N 3.32Å; W103-K105 PolarHBondContact O-N 2.94Å; W103-K106 PolarHBondContact O-N 3.33Å; W103-L107 HydrophobicContact CE3-CD1 4.43Å; W103-L107 WeakPolarHBondContact O-CB 3.26Å; W103-L107 WeakPolarHBondContact O-CG 3.38Å; W103-L107 PolarHBondContact O-N 2.8Å |
| 104 | I | 95.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.062 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 175.2 | -69.4 | 172 | 0 | 0 | 0 | 110.1 | V64 T66 F81 R100 K106 L107 K108 | V64-I104 HydrophobicContact CG1-CG1 4.37Å; V64-I104 HydrophobicContact CG1-CG2 4.37Å; T66-I104 HydrophobicContact CG2-CD1 3.54Å; F81-I104 HydrophobicContact CB-CD1 3.64Å; F81-I104 HydrophobicContact CB-CG1 3.93Å; F81-I104 HydrophobicContact CD2-CG1 4Å; F81-I104 HydrophobicContact CG-CD1 4.23Å; F81-I104 HydrophobicContact CG-CG1 4.02Å; R100-I104 HydrophobicContact CG-CD1 3.71Å; R100-I104 HydrophobicContact CG-CG1 4.39Å; R100-I104 WeakPolarHBondContact O-CB 3.24Å; R100-I104 VanDerWaalsContact O-CG1 3.28Å; R100-I104 WeakPolarHBondContact O-CG1 3.44Å; R100-I104 PolarHBondContact O-N 2.91Å; I104-K106 PolarHBondContact O-N 3.47Å; I104-L107 PolarHBondContact O-N 3.1Å; I104-K108 HydrophobicContact CG2-CD 3.87Å; I104-K108 HydrophobicContact CG2-CG 4.25Å; I104-K108 VanDerWaalsContact O-CB 3.3Å; I104-K108 WeakPolarHBondContact O-CB 3.43Å; I104-K108 VanDerWaalsContact O-CG 3.29Å; I104-K108 WeakPolarHBondContact O-CG 3.32Å; I104-K108 PolarHBondContact O-N 2.92Å |
| 105 | K | 94.1 | Very high | 92.5 | Very high | 134 Ų | 134 | 74.3 Ų | 74.3 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.5 | -49.9 | 178.6 | -178.2 | -176.8 | 175.7 | -173.6 | 0 | 110.8 | A101 S102 W103 K108 E109 | A101-K105 VanDerWaalsContact O-CB 3.26Å; A101-K105 WeakPolarHBondContact O-CB 3.27Å; A101-K105 PolarHBondContact O-N 3.33Å; S102-K105 PolarHBondContact O-N 3.33Å; W103-K105 VanDerWaalsContact C-N 3.32Å; W103-K105 PolarHBondContact O-N 2.94Å; K105-K108 PolarHBondContact O-N 2.8Å; K105-E109 WeakPolarHBondContact CE-OE1 3.39Å; K105-E109 WeakPolarHBondContact O-CG 3.47Å; K105-E109 PolarHBondContact O-N 3.07Å |
| 106 | K | 94.6 | Very high | 92.2 | Very high | 66 Ų | 66 | 73.9 Ų | 73.9 | 29% | 0.287 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | -178.6 | -170.5 | 65.6 | 176.5 | 177.7 | 0 | 112.5 | M6 L32 S102 W103 I104 E109 L110 | M6-K106 HydrophobicContact CG-CG 4.37Å; M6-K106 HydrophobicContact SD-CB 3.51Å; M6-K106 VanDerWaalsContact SD-CB 3.51Å; M6-K106 HydrophobicContact SD-CG 3.59Å; M6-K106 VanDerWaalsContact SD-CG 3.59Å; L32-K106 HydrophobicContact CD2-CB 4.43Å; L32-K106 HydrophobicContact CD2-CG 3.83Å; S102-K106 PolarHBondContact O-N 2.82Å; W103-K106 PolarHBondContact O-N 3.33Å; I104-K106 PolarHBondContact O-N 3.47Å; K106-E109 WeakPolarHBondContact O-CB 3.45Å; K106-E109 PolarHBondContact O-N 2.93Å; K106-L110 HydrophobicContact CG-CD1 4.39Å; K106-L110 WeakPolarHBondContact O-CG 3.34Å; K106-L110 PolarHBondContact O-N 2.8Å; K106-L110 VanDerWaalsContact O-N 3.12Å |
| 107 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 176.5 | -78 | 166.7 | 0 | 0 | 0 | 111.1 | L32 I37 L58 V64 F81 I83 W103 I104 E109 L110 V111 | L32-L107 HydrophobicContact CD1-CD2 3.67Å; L32-L107 HydrophobicContact CD2-CD2 4.15Å; L32-L107 HydrophobicContact CD2-CG 4.33Å; I37-L107 HydrophobicContact CD1-CD1 4.4Å; I37-L107 HydrophobicContact CD1-CD2 4.37Å; L58-L107 HydrophobicContact CD2-CD2 4.06Å; V64-L107 HydrophobicContact CB-CB 4.48Å; V64-L107 HydrophobicContact CG1-CB 4.04Å; V64-L107 HydrophobicContact CG1-CD1 4.08Å; V64-L107 HydrophobicContact CG2-CB 4.14Å; F81-L107 HydrophobicContact CE2-CD1 4.12Å; I83-L107 HydrophobicContact CD1-CD1 3.75Å; I83-L107 HydrophobicContact CG1-CD1 4.27Å; W103-L107 HydrophobicContact CE3-CD1 4.43Å; W103-L107 WeakPolarHBondContact O-CB 3.26Å; W103-L107 WeakPolarHBondContact O-CG 3.38Å; W103-L107 PolarHBondContact O-N 2.8Å; I104-L107 PolarHBondContact O-N 3.1Å; L107-E109 VanDerWaalsContact C-N 3.3Å; L107-E109 PolarHBondContact O-N 3.01Å; L107-L110 PolarHBondContact O-N 3.11Å; L107-L110 VanDerWaalsContact O-N 3.14Å; L107-V111 WeakPolarHBondContact O-CG2 3.37Å; L107-V111 PolarHBondContact O-N 2.77Å |
| 108 | K | 93.1 | Very high | 91.7 | Very high | 75 Ų | 75 | 73.4 Ų | 73.4 | 33% | 0.326 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.5 | -40 | 175.4 | -77.6 | -177.7 | 175.4 | -177.4 | 0 | 112.3 | V64 E65 I104 K105 L110 R112 | V64-K108 HydrophobicContact CB-CG 4.32Å; V64-K108 WeakPolarHBondContact O-CE 3.49Å; E65-K108 VanDerWaalsContact CD-NZ 3.27Å; E65-K108 IonicContact OE1-NZ 3.7Å; E65-K108 PolarHBondContact OE1-NZ 3.49Å; E65-K108 IonicContact OE2-NZ 2.95Å; I104-K108 HydrophobicContact CG2-CD 3.87Å; I104-K108 HydrophobicContact CG2-CG 4.25Å; I104-K108 VanDerWaalsContact O-CB 3.3Å; I104-K108 WeakPolarHBondContact O-CB 3.43Å; I104-K108 VanDerWaalsContact O-CG 3.29Å; I104-K108 WeakPolarHBondContact O-CG 3.32Å; I104-K108 PolarHBondContact O-N 2.92Å; K105-K108 PolarHBondContact O-N 2.8Å; K108-L110 VanDerWaalsContact C-N 3.33Å; K108-L110 PolarHBondContact O-N 3.38Å; K108-R112 WeakPolarHBondContact O-CB 3.26Å; K108-R112 PolarHBondContact O-N 2.93Å; K108-R112 VanDerWaalsContact O-N 3.12Å |
| 109 | E | 92.1 | Very high | 91.4 | Very high | 83 Ų | 83 | 74 Ų | 74 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 175.9 | -77.1 | 171.8 | -173 | 0 | 0 | 112.5 | K105 K106 L107 R112 | K105-E109 WeakPolarHBondContact CE-OE1 3.39Å; K105-E109 WeakPolarHBondContact O-CG 3.47Å; K105-E109 PolarHBondContact O-N 3.07Å; K106-E109 WeakPolarHBondContact O-CB 3.45Å; K106-E109 PolarHBondContact O-N 2.93Å; L107-E109 VanDerWaalsContact C-N 3.3Å; L107-E109 PolarHBondContact O-N 3.01Å; E109-R112 WeakPolarHBondContact O-CD 3.38Å; E109-R112 WeakPolarHBondContact O-CG 3.31Å; E109-R112 PolarHBondContact O-NE 3.23Å |
| 110 | L | 92.1 | Very high | 91.2 | Very high | 54 Ų | 54 | 76.2 Ų | 76.2 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74.9 | -37.1 | -179.6 | -65.9 | 169.1 | 0 | 0 | 0 | 112.5 | L5 L32 L58 K106 L107 K108 | L5-L110 HydrophobicContact CD1-CD1 3.75Å; L5-L110 HydrophobicContact CD1-CD2 4.05Å; L32-L110 HydrophobicContact CD1-CD1 3.97Å; L32-L110 HydrophobicContact CD2-CD1 3.87Å; L32-L110 HydrophobicContact CG-CD1 4.06Å; L58-L110 HydrophobicContact CD1-CB 3.9Å; L58-L110 HydrophobicContact CD1-CD1 3.75Å; L58-L110 HydrophobicContact CD1-CG 4.33Å; K106-L110 HydrophobicContact CG-CD1 4.39Å; K106-L110 WeakPolarHBondContact O-CG 3.34Å; K106-L110 PolarHBondContact O-N 2.8Å; K106-L110 VanDerWaalsContact O-N 3.12Å; L107-L110 PolarHBondContact O-N 3.11Å; L107-L110 VanDerWaalsContact O-N 3.14Å; K108-L110 VanDerWaalsContact C-N 3.33Å; K108-L110 PolarHBondContact O-N 3.38Å |
| 111 | V | 92.8 | Very high | 91 | Very high | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -92.6 | -2.1 | -175.1 | -54.7 | 0 | 0 | 0 | 0 | 114.2 | L58 I61 V64 L107 F113 N114 L117 | L58-V111 HydrophobicContact CB-CG1 4.38Å; L58-V111 HydrophobicContact CD2-CG1 4.42Å; I61-V111 HydrophobicContact CB-CG1 3.83Å; I61-V111 HydrophobicContact CD1-CG1 4.01Å; I61-V111 HydrophobicContact CG1-CG1 4.44Å; I61-V111 HydrophobicContact CG2-CB 4.45Å; I61-V111 HydrophobicContact CG2-CG1 3.99Å; I61-V111 HydrophobicContact CG2-CG2 4.34Å; V64-V111 HydrophobicContact CG2-CG2 4.48Å; L107-V111 WeakPolarHBondContact O-CG2 3.37Å; L107-V111 PolarHBondContact O-N 2.77Å; V111-F113 PolarHBondContact O-N 2.84Å; V111-N114 WeakPolarHBondContact O-CB 3.47Å; V111-N114 PolarHBondContact O-N 2.72Å; V111-L117 HydrophobicContact CG2-CD2 4.36Å |
| 112 | R | 88.6 | Confident | 91 | Very high | 160 Ų | 160 | 72.6 Ų | 72.6 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -18.9 | -172.4 | 69 | -172.8 | 176.2 | 166.4 | 1.5 | 115.6 | K108 E109 | K108-R112 WeakPolarHBondContact O-CB 3.26Å; K108-R112 PolarHBondContact O-N 2.93Å; K108-R112 VanDerWaalsContact O-N 3.12Å; E109-R112 WeakPolarHBondContact O-CD 3.38Å; E109-R112 WeakPolarHBondContact O-CG 3.31Å; E109-R112 PolarHBondContact O-NE 3.23Å |
| 113 | F | 87.2 | Confident | 90.9 | Very high | 161 Ų | 161 | 70.2 Ų | 70.2 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 7.9 | -179.2 | -59.8 | -60 | 0 | 0 | 0 | 113.4 | V111 | V111-F113 PolarHBondContact O-N 2.84Š|
| 114 | N | 89.9 | Confident | 90.7 | Very high | 32 Ų | 32 | 70.7 Ų | 70.7 | 17% | 0.171 | 32% | 0.323 | C | S | . | . | trans | -64 | 139.5 | 175.1 | -70.7 | 3.6 | 0 | 0 | 0 | 110.4 | L58 E59 I61 V111 D116 L117 | L58-N114 PolarHBondContact O-ND2 2.76Å; E59-N114 PolarHBondContact O-ND2 2.84Å; I61-N114 PolarHBondContact O-ND2 2.94Å; V111-N114 WeakPolarHBondContact O-CB 3.47Å; V111-N114 PolarHBondContact O-N 2.72Å; N114-D116 VanDerWaalsContact C-N 3.31Å; N114-D116 PolarHBondContact O-N 2.94Å; N114-L117 HydrophobicContact CB-CD2 4.12Å; N114-L117 HydrophobicContact CB-CG 4.02Å; N114-L117 WeakPolarHBondContact O-CG 3.35Å | ||
| 115 | K | 83.2 | Confident | 90.4 | Very high | 209 Ų | 209 | 70.3 Ų | 70.3 | 91% | 0.909 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -28.9 | -176.9 | -65.2 | 179.3 | -178.9 | 175.4 | 0 | 112.8 | ||
| 116 | D | 84.8 | Confident | 90.2 | Very high | 112 Ų | 112 | 65 Ų | 65 | 60% | 0.599 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 31.4 | -171.1 | -58.3 | -43.4 | 0 | 0 | 0 | 113.6 | K62 N114 M118 | K62-D116 WeakPolarHBondContact CB-O 2.93Å; K62-D116 WeakPolarHBondContact CG-O 3.42Å; N114-D116 VanDerWaalsContact C-N 3.31Å; N114-D116 PolarHBondContact O-N 2.94Å; D116-M118 PolarHBondContact O-N 3.05Å |
| 117 | L | 87.9 | Confident | 89.7 | Confident | 62 Ų | 62 | 62.8 Ų | 62.8 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | trans | -66.5 | 130.9 | 176.2 | -69.7 | 175.8 | 0 | 0 | 0 | 111.4 | K62 V111 N114 | K62-L117 WeakPolarHBondContact O-CA 3.48Å; V111-L117 HydrophobicContact CG2-CD2 4.36Å; N114-L117 HydrophobicContact CB-CD2 4.12Å; N114-L117 HydrophobicContact CB-CG 4.02Å; N114-L117 WeakPolarHBondContact O-CG 3.35Å | ||
| 118 | M | 86.3 | Confident | 89.1 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | trans | -74.7 | 139.9 | -179 | -58.6 | -166.4 | -62.1 | 0 | 0 | 112 | K62 C63 I84 D116 K120 | K62-M118 HydrophobicContact CB-CG 3.76Å; K62-M118 HydrophobicContact CB-SD 4.39Å; K62-M118 PolarHBondContact O-N 2.83Å; C63-M118 HydrophobicContact CB-CE 3.41Å; C63-M118 VanDerWaalsContact CB-CE 3.41Å; I84-M118 HydrophobicContact CB-CE 3.84Å; I84-M118 HydrophobicContact CD1-CE 3.4Å; I84-M118 VanDerWaalsContact CD1-CE 3.4Å; I84-M118 HydrophobicContact CG1-CE 4.19Å; I84-M118 HydrophobicContact CG2-CE 3.63Å; I84-M118 HydrophobicContact CG2-SD 4.28Å; D116-M118 PolarHBondContact O-N 3.05Å; M118-K120 WeakPolarHBondContact CB-O 3.29Å | ||
| 119 | Q | 86.4 | Confident | 88.6 | Confident | 142 Ų | 142 | 64.6 Ų | 64.6 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -79.8 | -23.7 | 174.1 | -62.7 | 178.7 | 2.9 | 0 | 0 | 112.9 | L147 | Q119-L147 PolarHBondContact O-N 3.41Š|
| 120 | K | 90.3 | Very high | 88.5 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 38% | 0.383 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 146.7 | 177.9 | -56.9 | -176.5 | -177.2 | 174.4 | 0 | 110.7 | M118 M142 G143 K145 V146 | M118-K120 WeakPolarHBondContact CB-O 3.29Å; K120-M142 HydrophobicContact CB-CG 4.28Å; K120-M142 HydrophobicContact CD-CG 4.21Å; K120-M142 HydrophobicContact CD-SD 4.11Å; K120-G143 WeakPolarHBondContact CB-O 3.38Å; K120-G143 VanDerWaalsContact CD-O 3.28Å; K120-G143 WeakPolarHBondContact CD-O 3.4Å; K120-K145 CarbonylContact C-O 3.54Å; K120-K145 WeakPolarHBondContact CA-O 3.28Å; K120-K145 WeakPolarHBondContact CB-O 3.43Å; K120-V146 HydrophobicContact CG-CG2 4.34Å |
| 121 | Y | 92.7 | Very high | 88.4 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 166.9 | 177.1 | 73.3 | -78.3 | 0 | 0 | 0 | 111.3 | E65 P123 G143 C144 K145 L147 | E65-Y121 HydrophobicContact CB-CD2 3.9Å; E65-Y121 HydrophobicContact CB-CE2 3.65Å; E65-Y121 HydrophobicContact CB-CG 4.49Å; E65-Y121 HydrophobicContact CG-CD1 4.27Å; E65-Y121 HydrophobicContact CG-CD2 4.17Å; E65-Y121 HydrophobicContact CG-CE1 3.92Å; E65-Y121 HydrophobicContact CG-CE2 3.81Å; E65-Y121 HydrophobicContact CG-CG 4.38Å; Y121-P123 HydrophobicContact CE2-CB 4.07Å; Y121-G143 CarbonylContact O-C 3.52Å; Y121-G143 WeakPolarHBondContact O-CA 3.39Å; Y121-C144 PolarHBondContact O-N 2.89Å; Y121-K145 HydrophobicContact CD1-CB 4.45Å; Y121-K145 WeakPolarHBondContact CD1-O 3.5Å; Y121-K145 HydrophobicContact CE1-CB 4.17Å; Y121-K145 HydrophobicContact CE1-CD 4.12Å; Y121-K145 HydrophobicContact CE1-CG 4Å; Y121-K145 HydrophobicContact CE2-CD 4.42Å; Y121-K145 PolarHBondContact N-O 2.93Å; Y121-K145 PolarHBondContact O-N 3.45Å; Y121-K145 WeakPolarHBondContact OH-CD 3.43Å; Y121-K145 WeakPolarHBondContact OH-CE 3.46Å; Y121-K145 PolarHBondContact OH-NZ 2.79Å; Y121-K145 VanDerWaalsContact OH-NZ 3.13Å; Y121-L147 HydrophobicContact CD1-CD1 3.68Å; Y121-L147 HydrophobicContact CE1-CD1 3.97Å; Y121-L147 HydrophobicContact CG-CD1 4.46Å |
| 122 | H | 93.3 | Very high | 88.2 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 2% | 0.023 | 30% | 0.303 | C | S | . | . | trans | -98 | 119.3 | 175.3 | -73.2 | -59.8 | 0 | 0 | 0 | 110 | Q82 C124 W131 C133 C134 Q136 A141 M142 G143 C144 | Q82-H122 PolarHBondContact NE2-O 2.82Å; H122-C124 VanDerWaalsContact C-N 3.29Å; H122-C124 PolarHBondContact O-N 3.18Å; H122-W131 HydrophobicContact CB-CD2 3.68Å; H122-W131 HydrophobicContact CB-CE3 3.3Å; H122-W131 HydrophobicContact CB-CG 4.42Å; H122-W131 HydrophobicContact CB-CH2 3.84Å; H122-W131 HydrophobicContact CB-CZ2 4.2Å; H122-W131 HydrophobicContact CB-CZ3 3.37Å; H122-W131 AromaticContact CD2-CD1 3.72Å; H122-W131 AromaticContact CD2-CD2 3.41Å; H122-W131 VanDerWaalsContact CD2-CD2 3.41Å; H122-W131 AromaticContact CD2-CE2 3.14Å; H122-W131 AromaticContact CD2-CE3 3.99Å; H122-W131 AromaticContact CD2-CG 3.79Å; H122-W131 AromaticContact CD2-CZ2 3.5Å; H122-W131 VanDerWaalsContact CD2-CZ2 3.5Å; H122-W131 WeakPolarHBondContact CD2-CZ2 3.39Å; H122-W131 AromaticContact CD2-NE1 3.36Å; H122-W131 PolarHBondContact CD2-NE1 2.96Å; H122-W131 AromaticContact CE1-CD1 3.94Å; H122-W131 AromaticContact CG-CD2 3.45Å; H122-W131 VanDerWaalsContact CG-CD2 3.45Å; H122-W131 AromaticContact CG-CE2 3.71Å; H122-W131 AromaticContact CG-CE3 3.67Å; H122-W131 AromaticContact CG-CG 3.82Å; H122-W131 AromaticContact NE2-CD1 3.53Å; H122-W131 AromaticContact NE2-CE2 3.77Å; H122-W131 AromaticContact NE2-CG 3.88Å; H122-W131 AromaticContact NE2-NE1 3.46Å; H122-W131 PolarHBondContact NE2-NE1 2.92Å; H122-C133 PolarHBondContact ND1-SG 3.43Å; H122-C134 PolarHBondContact CE1-SG 3.38Å; H122-Q136 PolarHBondContact CE1-OE1 3.18Å; H122-Q136 PolarHBondContact NE2-OE1 3.29Å; H122-Q136 VanDerWaalsContact NE2-OE1 3.14Å; H122-A141 PolarHBondContact NE2-O 2.85Å; H122-M142 PolarHBondContact CE1-O 3.18Å; H122-M142 PolarHBondContact NE2-O 2.88Å; H122-G143 VanDerWaalsContact CE1-CA 3.49Å; H122-G143 WeakPolarHBondContact CE1-CA 3.23Å; H122-G143 WeakPolarHBondContact NE2-CA 3.46Å; H122-C144 PolarHBondContact CE1-N 2.86Å; H122-C144 PolarHBondContact ND1-N 2.94Å | ||
| 123 | P | 92.4 | Very high | 88.3 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 7% | 0.065 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -79.3 | -6.9 | -176 | 32 | -36.2 | 0 | 0 | 0 | 114.1 | V67 Q68 Y121 C133 C144 K145 | V67-P123 CarbonylContact C-O 3.58Å; V67-P123 WeakPolarHBondContact CA-O 3.4Å; Q68-P123 HydrophobicContact CG-CB 4.37Å; Q68-P123 PolarHBondContact N-O 3.41Å; Y121-P123 HydrophobicContact CE2-CB 4.07Å; P123-C133 HydrophobicContact CG-CB 3.97Å; P123-C144 VanDerWaalsContact CD-SG 3.54Å; P123-K145 HydrophobicContact CB-CD 4.16Å; P123-K145 HydrophobicContact CG-CB 4.31Å; P123-K145 HydrophobicContact CG-CD 4.26Å |
| 124 | C | 92.4 | Very high | 88.3 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 10% | 0.101 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -116.7 | 173 | -179.2 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | Q68 H122 W131 L132 C133 | Q68-C124 PolarHBondContact OE1-SG 2.88Å; H122-C124 VanDerWaalsContact C-N 3.29Å; H122-C124 PolarHBondContact O-N 3.18Å; C124-W131 VanDerWaalsContact O-CZ3 3.24Å; C124-W131 WeakPolarHBondContact O-CZ3 3.23Å; C124-L132 HydrophobicContact CB-CB 3.88Å; C124-C133 HydrophobicContact CB-CB 3.74Å |
| 125 | F | 90.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | trans | -69.2 | 146.5 | 177.6 | -63.7 | -73.6 | 0 | 0 | 0 | 112.9 | V67 Q68 E70 A80 Y91 F93 V127 L132 | V67-F125 HydrophobicContact CB-CE1 4.45Å; V67-F125 HydrophobicContact CB-CZ 4.33Å; V67-F125 HydrophobicContact CG1-CD1 3.93Å; V67-F125 HydrophobicContact CG1-CD2 4.03Å; V67-F125 HydrophobicContact CG1-CE1 3.7Å; V67-F125 HydrophobicContact CG1-CE2 3.77Å; V67-F125 HydrophobicContact CG1-CG 4.1Å; V67-F125 HydrophobicContact CG1-CZ 3.61Å; Q68-F125 WeakPolarHBondContact O-CE2 3.32Å; E70-F125 HydrophobicContact CG-CD2 3.79Å; E70-F125 HydrophobicContact CG-CE2 3.75Å; A80-F125 HydrophobicContact CB-CE1 4.47Å; A80-F125 HydrophobicContact CB-CZ 3.85Å; Y91-F125 AromaticContact CD1-CD1 3.67Å; Y91-F125 HydrophobicContact CD1-CD1 3.67Å; Y91-F125 AromaticContact CD1-CE1 3.72Å; Y91-F125 HydrophobicContact CD1-CE1 3.72Å; Y91-F125 HydrophobicContact CD2-CD1 4.09Å; Y91-F125 AromaticContact CE1-CD1 3.72Å; Y91-F125 HydrophobicContact CE1-CD1 3.72Å; Y91-F125 HydrophobicContact CE1-CE1 4.2Å; Y91-F125 HydrophobicContact CE2-CD1 4.12Å; Y91-F125 AromaticContact CG-CD1 3.85Å; Y91-F125 HydrophobicContact CG-CD1 3.85Å; Y91-F125 AromaticContact CG-CE1 3.9Å; Y91-F125 HydrophobicContact CG-CE1 3.9Å; Y91-F125 AromaticContact CZ-CD1 3.94Å; F93-F125 HydrophobicContact CE1-CE1 4.25Å; F93-F125 AromaticContact CE1-CZ 3.81Å; F93-F125 HydrophobicContact CE1-CZ 3.81Å; F93-F125 AromaticContact CZ-CE1 3.89Å; F93-F125 HydrophobicContact CZ-CE1 3.89Å; F93-F125 AromaticContact CZ-CZ 3.9Å; F93-F125 HydrophobicContact CZ-CZ 3.9Å; F125-V127 HydrophobicContact CB-CG2 3.75Å; F125-L132 HydrophobicContact CB-CD1 4.28Å; F125-L132 WeakPolarHBondContact O-CG 3.48Å; F125-L132 PolarHBondContact O-N 3.44Å; F125-L132 VanDerWaalsContact O-N 3.08Å | ||
| 126 | W | 88.3 | Confident | 88.5 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 123.2 | 157.8 | 178.3 | -91.9 | 0 | 0 | 0 | 108.7 | R13 Y91 G129 V130 W131 Q136 E137 V138 K139 | R13-W126 PolarHBondContact NH1-O 2.84Å; Y91-W126 PolarHBondContact OH-N 2.68Å; W126-G129 WeakPolarHBondContact CH2-O 3.32Å; W126-G129 VanDerWaalsContact CZ2-CA 3.43Å; W126-G129 WeakPolarHBondContact CZ2-O 3.33Å; W126-V130 WeakPolarHBondContact CA-O 3.39Å; W126-V130 VanDerWaalsContact CE3-C 3.42Å; W126-W131 HydrophobicContact CB-CD2 4.31Å; W126-W131 HydrophobicContact CB-CE3 4.04Å; W126-W131 HydrophobicContact CB-CH2 4.23Å; W126-W131 HydrophobicContact CB-CZ2 4.42Å; W126-W131 HydrophobicContact CB-CZ3 4.02Å; W126-W131 HydrophobicContact CE3-CB 4.31Å; W126-W131 AromaticContact CE3-CD1 3.34Å; W126-W131 AromaticContact CE3-CD2 3.62Å; W126-W131 HydrophobicContact CE3-CD2 3.62Å; W126-W131 AromaticContact CE3-CE2 3.52Å; W126-W131 HydrophobicContact CE3-CE3 4.45Å; W126-W131 AromaticContact CE3-CG 3.52Å; W126-W131 HydrophobicContact CE3-CG 3.52Å; W126-W131 HydrophobicContact CE3-CZ2 4.31Å; W126-W131 AromaticContact CE3-NE1 3.31Å; W126-W131 VanDerWaalsContact CE3-NE1 3.31Å; W126-W131 AromaticContact CZ3-CD1 3.3Å; W126-W131 HydrophobicContact CZ3-CD2 4.37Å; W126-W131 AromaticContact CZ3-CG 3.88Å; W126-W131 HydrophobicContact CZ3-CG 3.88Å; W126-W131 AromaticContact CZ3-NE1 3.46Å; W126-Q136 VanDerWaalsContact CZ3-O 3.29Å; W126-Q136 WeakPolarHBondContact CZ3-O 3.49Å; W126-E137 VanDerWaalsContact CH2-C 3.44Å; W126-E137 WeakPolarHBondContact CH2-O 3.47Å; W126-V138 VanDerWaalsContact CZ3-C 3.48Å; W126-K139 HydrophobicContact CD2-CB 4.04Å; W126-K139 HydrophobicContact CD2-CG 3.82Å; W126-K139 HydrophobicContact CE3-CB 4.3Å; W126-K139 HydrophobicContact CE3-CG 4.36Å; W126-K139 HydrophobicContact CG-CD 4.46Å; W126-K139 HydrophobicContact CG-CG 4.04Å; W126-K139 VanDerWaalsContact CH2-CA 3.46Å; W126-K139 HydrophobicContact CH2-CB 3.88Å; W126-K139 HydrophobicContact CZ2-CB 3.59Å; W126-K139 HydrophobicContact CZ2-CG 4.19Å; W126-K139 VanDerWaalsContact CZ3-CA 3.48Å; W126-K139 HydrophobicContact CZ3-CB 4.23Å |
| 127 | V | 84.8 | Confident | 88.6 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 136.9 | -176.7 | -167 | 0 | 0 | 0 | 0 | 108.5 | L23 F125 G129 V130 L132 | L23-V127 HydrophobicContact CD1-CG1 4.27Å; F125-V127 HydrophobicContact CB-CG2 3.75Å; V127-G129 PolarHBondContact O-N 3.28Å; V127-V130 PolarHBondContact N-O 3.23Å; V127-V130 VanDerWaalsContact O-CG2 3.27Å; V127-V130 WeakPolarHBondContact O-CG2 3.36Å; V127-V130 PolarHBondContact O-N 3.28Å; V127-L132 HydrophobicContact CB-CD2 4.41Å; V127-L132 HydrophobicContact CB-CG 4.41Å; V127-L132 HydrophobicContact CG2-CD1 3.71Å; V127-L132 HydrophobicContact CG2-CD2 4.43Å; V127-L132 HydrophobicContact CG2-CG 3.96Å |
| 128 | D | 81.9 | Confident | 88.5 | Confident | 100 Ų | 100 | 53.4 Ų | 53.4 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 37.7 | 173.1 | -55.9 | -25.5 | 0 | 0 | 0 | 114.9 | K19 | K19-D128 WeakPolarHBondContact CE-O 3.34Š|
| 129 | G | 83.6 | Confident | 88.3 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 13% | 0.134 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 11.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | W126 V127 E137 | W126-G129 WeakPolarHBondContact CH2-O 3.32Å; W126-G129 VanDerWaalsContact CZ2-CA 3.43Å; W126-G129 WeakPolarHBondContact CZ2-O 3.33Å; V127-G129 PolarHBondContact O-N 3.28Å; G129-E137 WeakPolarHBondContact O-CA 3.48Å |
| 130 | V | 88.6 | Confident | 88.2 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.3 | 178.1 | -65.5 | 0 | 0 | 0 | 0 | 113.2 | W126 V127 Q136 E137 | W126-V130 WeakPolarHBondContact CA-O 3.39Å; W126-V130 VanDerWaalsContact CE3-C 3.42Å; V127-V130 PolarHBondContact N-O 3.23Å; V127-V130 VanDerWaalsContact O-CG2 3.27Å; V127-V130 WeakPolarHBondContact O-CG2 3.36Å; V127-V130 PolarHBondContact O-N 3.28Å; V130-Q136 WeakPolarHBondContact CA-O 3.36Å; V130-E137 HydrophobicContact CG1-CG 4.03Å |
| 131 | W | 89.8 | Confident | 87.9 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 117.2 | 167.8 | -76.1 | 107.8 | 0 | 0 | 0 | 111 | P89 Y91 H122 C124 W126 C133 C134 Q135 Q136 V138 K139 | P89-W131 HydrophobicContact CB-CH2 4.29Å; P89-W131 HydrophobicContact CG-CH2 3.85Å; P89-W131 HydrophobicContact CG-CZ2 4.46Å; Y91-W131 WeakPolarHBondContact OH-CZ3 3.45Å; H122-W131 HydrophobicContact CB-CD2 3.68Å; H122-W131 HydrophobicContact CB-CE3 3.3Å; H122-W131 HydrophobicContact CB-CG 4.42Å; H122-W131 HydrophobicContact CB-CH2 3.84Å; H122-W131 HydrophobicContact CB-CZ2 4.2Å; H122-W131 HydrophobicContact CB-CZ3 3.37Å; H122-W131 AromaticContact CD2-CD1 3.72Å; H122-W131 AromaticContact CD2-CD2 3.41Å; H122-W131 VanDerWaalsContact CD2-CD2 3.41Å; H122-W131 AromaticContact CD2-CE2 3.14Å; H122-W131 AromaticContact CD2-CE3 3.99Å; H122-W131 AromaticContact CD2-CG 3.79Å; H122-W131 AromaticContact CD2-CZ2 3.5Å; H122-W131 VanDerWaalsContact CD2-CZ2 3.5Å; H122-W131 WeakPolarHBondContact CD2-CZ2 3.39Å; H122-W131 AromaticContact CD2-NE1 3.36Å; H122-W131 PolarHBondContact CD2-NE1 2.96Å; H122-W131 AromaticContact CE1-CD1 3.94Å; H122-W131 AromaticContact CG-CD2 3.45Å; H122-W131 VanDerWaalsContact CG-CD2 3.45Å; H122-W131 AromaticContact CG-CE2 3.71Å; H122-W131 AromaticContact CG-CE3 3.67Å; H122-W131 AromaticContact CG-CG 3.82Å; H122-W131 AromaticContact NE2-CD1 3.53Å; H122-W131 AromaticContact NE2-CE2 3.77Å; H122-W131 AromaticContact NE2-CG 3.88Å; H122-W131 AromaticContact NE2-NE1 3.46Å; H122-W131 PolarHBondContact NE2-NE1 2.92Å; C124-W131 VanDerWaalsContact O-CZ3 3.24Å; C124-W131 WeakPolarHBondContact O-CZ3 3.23Å; W126-W131 HydrophobicContact CB-CD2 4.31Å; W126-W131 HydrophobicContact CB-CE3 4.04Å; W126-W131 HydrophobicContact CB-CH2 4.23Å; W126-W131 HydrophobicContact CB-CZ2 4.42Å; W126-W131 HydrophobicContact CB-CZ3 4.02Å; W126-W131 HydrophobicContact CE3-CB 4.31Å; W126-W131 AromaticContact CE3-CD1 3.34Å; W126-W131 AromaticContact CE3-CD2 3.62Å; W126-W131 HydrophobicContact CE3-CD2 3.62Å; W126-W131 AromaticContact CE3-CE2 3.52Å; W126-W131 HydrophobicContact CE3-CE3 4.45Å; W126-W131 AromaticContact CE3-CG 3.52Å; W126-W131 HydrophobicContact CE3-CG 3.52Å; W126-W131 HydrophobicContact CE3-CZ2 4.31Å; W126-W131 AromaticContact CE3-NE1 3.31Å; W126-W131 VanDerWaalsContact CE3-NE1 3.31Å; W126-W131 AromaticContact CZ3-CD1 3.3Å; W126-W131 HydrophobicContact CZ3-CD2 4.37Å; W126-W131 AromaticContact CZ3-CG 3.88Å; W126-W131 HydrophobicContact CZ3-CG 3.88Å; W126-W131 AromaticContact CZ3-NE1 3.46Å; W131-C133 PolarHBondContact O-N 2.96Å; W131-C134 PolarHBondContact O-N 2.84Å; W131-C134 VanDerWaalsContact O-N 3.16Å; W131-Q135 WeakPolarHBondContact O-CA 3.45Å; W131-Q135 PolarHBondContact O-N 3.21Å; W131-Q136 PolarHBondContact N-O 2.89Å; W131-V138 PolarHBondContact NE1-O 3.25Å; W131-K139 VanDerWaalsContact CZ2-O 3.26Å; W131-K139 WeakPolarHBondContact CZ2-O 3.39Å; W131-K139 PolarHBondContact NE1-O 2.93Å |
| 132 | L | 89.7 | Confident | 87.6 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 41% | 0.414 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.9 | -177.5 | -65.4 | -178.2 | 0 | 0 | 0 | 114.4 | C124 F125 V127 | C124-L132 HydrophobicContact CB-CB 3.88Å; F125-L132 HydrophobicContact CB-CD1 4.28Å; F125-L132 WeakPolarHBondContact O-CG 3.48Å; F125-L132 PolarHBondContact O-N 3.44Å; F125-L132 VanDerWaalsContact O-N 3.08Å; V127-L132 HydrophobicContact CB-CD2 4.41Å; V127-L132 HydrophobicContact CB-CG 4.41Å; V127-L132 HydrophobicContact CG2-CD1 3.71Å; V127-L132 HydrophobicContact CG2-CD2 4.43Å; V127-L132 HydrophobicContact CG2-CG 3.96Å |
| 133 | C | 89.4 | Confident | 87.3 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -26.6 | 179.7 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | H122 P123 C124 W131 C144 | H122-C133 PolarHBondContact ND1-SG 3.43Å; P123-C133 HydrophobicContact CG-CB 3.97Å; C124-C133 HydrophobicContact CB-CB 3.74Å; W131-C133 PolarHBondContact O-N 2.96Å; C133-C144 PolarHBondContact SG-SG 3.42Å |
| 134 | C | 88.1 | Confident | 87.2 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 30% | 0.297 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.8 | 3.5 | -170.5 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | H122 W131 Q136 C144 | H122-C134 PolarHBondContact CE1-SG 3.38Å; W131-C134 PolarHBondContact O-N 2.84Å; W131-C134 VanDerWaalsContact O-N 3.16Å; C134-Q136 PolarHBondContact O-N 2.84Å; C134-Q136 VanDerWaalsContact SG-CG 3.57Å; C134-C144 HydrophobicContact CB-CB 3.76Å |
| 135 | Q | 89.9 | Confident | 87.1 | Confident | 121 Ų | 121 | 62.9 Ų | 62.9 | 57% | 0.565 | 33% | 0.331 | S | S | * | . | trans | 59.9 | 20.6 | 178.8 | -53.7 | -61.3 | -19.9 | 0 | 0 | 114.9 | W131 | W131-Q135 WeakPolarHBondContact O-CA 3.45Å; W131-Q135 PolarHBondContact O-N 3.21Å | ||
| 136 | Q | 86.8 | Confident | 87 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | trans | -67.8 | 134.1 | 172.8 | -75.8 | 178.5 | -8.5 | 0 | 0 | 110.8 | H122 W126 V130 W131 C134 A141 M142 | H122-Q136 PolarHBondContact CE1-OE1 3.18Å; H122-Q136 PolarHBondContact NE2-OE1 3.29Å; H122-Q136 VanDerWaalsContact NE2-OE1 3.14Å; W126-Q136 VanDerWaalsContact CZ3-O 3.29Å; W126-Q136 WeakPolarHBondContact CZ3-O 3.49Å; V130-Q136 WeakPolarHBondContact CA-O 3.36Å; W131-Q136 PolarHBondContact N-O 2.89Å; C134-Q136 PolarHBondContact O-N 2.84Å; C134-Q136 VanDerWaalsContact SG-CG 3.57Å; Q136-A141 HydrophobicContact CB-CB 4.21Å; Q136-M142 PolarHBondContact OE1-O 3.12Å | ||
| 137 | E | 87.6 | Confident | 86.6 | Confident | 159 Ų | 159 | 66.2 Ų | 66.2 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -93.4 | 4.6 | -174.5 | -61.4 | -177.8 | 167.1 | 0 | 0 | 114.3 | W126 G129 V130 | W126-E137 VanDerWaalsContact CH2-C 3.44Å; W126-E137 WeakPolarHBondContact CH2-O 3.47Å; G129-E137 WeakPolarHBondContact O-CA 3.48Å; V130-E137 HydrophobicContact CG1-CG 4.03Å |
| 138 | V | 84.6 | Confident | 85.8 | Confident | 94 Ų | 94 | 73.1 Ų | 73.1 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | trans | -113.7 | 120.5 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | W126 W131 Q140 A141 | W126-V138 VanDerWaalsContact CZ3-C 3.48Å; W131-V138 PolarHBondContact NE1-O 3.25Å; V138-Q140 PolarHBondContact O-N 2.91Å; V138-A141 HydrophobicContact CB-CB 4.09Å; V138-A141 WeakPolarHBondContact O-CB 3.26Å; V138-A141 PolarHBondContact O-N 2.8Å | ||
| 139 | K | 83.6 | Confident | 84.6 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 22% | 0.217 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.4 | -174.9 | -167.7 | 175.3 | -176.1 | -177.7 | 0 | 113.4 | Q15 Q16 W126 W131 | Q15-K139 PolarHBondContact O-NZ 3.26Å; Q16-K139 PolarHBondContact O-NZ 3.36Å; Q16-K139 VanDerWaalsContact O-NZ 3.07Å; W126-K139 HydrophobicContact CD2-CB 4.04Å; W126-K139 HydrophobicContact CD2-CG 3.82Å; W126-K139 HydrophobicContact CE3-CB 4.3Å; W126-K139 HydrophobicContact CE3-CG 4.36Å; W126-K139 HydrophobicContact CG-CD 4.46Å; W126-K139 HydrophobicContact CG-CG 4.04Å; W126-K139 VanDerWaalsContact CH2-CA 3.46Å; W126-K139 HydrophobicContact CH2-CB 3.88Å; W126-K139 HydrophobicContact CZ2-CB 3.59Å; W126-K139 HydrophobicContact CZ2-CG 4.19Å; W126-K139 VanDerWaalsContact CZ3-CA 3.48Å; W126-K139 HydrophobicContact CZ3-CB 4.23Å; W131-K139 VanDerWaalsContact CZ2-O 3.26Å; W131-K139 WeakPolarHBondContact CZ2-O 3.39Å; W131-K139 PolarHBondContact NE1-O 2.93Å |
| 140 | Q | 84 | Confident | 82.7 | Confident | 152 Ų | 152 | 75 Ų | 75 | 71% | 0.71 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 12.6 | 176.7 | -66.8 | -174.2 | -16.9 | 0 | 0 | 113 | D86 V138 | D86-Q140 PolarHBondContact O-NE2 2.95Å; V138-Q140 PolarHBondContact O-N 2.91Å |
| 141 | A | 84.5 | Confident | 80.6 | Confident | 27 Ų | 27 | 77 Ų | 77 | 22% | 0.223 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -60 | 149 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H122 Q136 V138 G143 | H122-A141 PolarHBondContact NE2-O 2.85Å; Q136-A141 HydrophobicContact CB-CB 4.21Å; V138-A141 HydrophobicContact CB-CB 4.09Å; V138-A141 WeakPolarHBondContact O-CB 3.26Å; V138-A141 PolarHBondContact O-N 2.8Å; A141-G143 PolarHBondContact O-N 3.25Å |
| 142 | M | 84.8 | Confident | 78.3 | Confident | 139 Ų | 139 | 86 Ų | 86 | 69% | 0.685 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 132.1 | 176.2 | -173.9 | -179.1 | -70.2 | 0 | 0 | 110.6 | K120 H122 Q136 | K120-M142 HydrophobicContact CB-CG 4.28Å; K120-M142 HydrophobicContact CD-CG 4.21Å; K120-M142 HydrophobicContact CD-SD 4.11Å; H122-M142 PolarHBondContact CE1-O 3.18Å; H122-M142 PolarHBondContact NE2-O 2.88Å; Q136-M142 PolarHBondContact OE1-O 3.12Å |
| 143 | G | 88.6 | Confident | 75.9 | Confident | 7 Ų | 7 | 89.9 Ų | 89.9 | 7% | 0.072 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 151.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K120 Y121 H122 A141 | K120-G143 WeakPolarHBondContact CB-O 3.38Å; K120-G143 VanDerWaalsContact CD-O 3.28Å; K120-G143 WeakPolarHBondContact CD-O 3.4Å; Y121-G143 CarbonylContact O-C 3.52Å; Y121-G143 WeakPolarHBondContact O-CA 3.39Å; H122-G143 VanDerWaalsContact CE1-CA 3.49Å; H122-G143 WeakPolarHBondContact CE1-CA 3.23Å; H122-G143 WeakPolarHBondContact NE2-CA 3.46Å; A141-G143 PolarHBondContact O-N 3.25Å |
| 144 | C | 88.4 | Confident | 73.2 | Confident | 59 Ų | 59 | 91.1 Ų | 91.1 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -88.1 | -10.5 | 175.9 | 70.3 | 0 | 0 | 0 | 0 | 114.5 | Y121 H122 P123 C133 C134 | Y121-C144 PolarHBondContact O-N 2.89Å; H122-C144 PolarHBondContact CE1-N 2.86Å; H122-C144 PolarHBondContact ND1-N 2.94Å; P123-C144 VanDerWaalsContact CD-SG 3.54Å; C133-C144 PolarHBondContact SG-SG 3.42Å; C134-C144 HydrophobicContact CB-CB 3.76Å |
| 145 | K | 90.5 | Very high | 70.6 | Confident | 85 Ų | 85 | 99.4 Ų | 99.4 | 37% | 0.37 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.4 | -180 | -172.2 | 173.1 | 174.5 | -165.1 | 0 | 111.5 | K120 Y121 P123 | K120-K145 CarbonylContact C-O 3.54Å; K120-K145 WeakPolarHBondContact CA-O 3.28Å; K120-K145 WeakPolarHBondContact CB-O 3.43Å; Y121-K145 HydrophobicContact CD1-CB 4.45Å; Y121-K145 WeakPolarHBondContact CD1-O 3.5Å; Y121-K145 HydrophobicContact CE1-CB 4.17Å; Y121-K145 HydrophobicContact CE1-CD 4.12Å; Y121-K145 HydrophobicContact CE1-CG 4Å; Y121-K145 HydrophobicContact CE2-CD 4.42Å; Y121-K145 PolarHBondContact N-O 2.93Å; Y121-K145 PolarHBondContact O-N 3.45Å; Y121-K145 WeakPolarHBondContact OH-CD 3.43Å; Y121-K145 WeakPolarHBondContact OH-CE 3.46Å; Y121-K145 PolarHBondContact OH-NZ 2.79Å; Y121-K145 VanDerWaalsContact OH-NZ 3.13Å; P123-K145 HydrophobicContact CB-CD 4.16Å; P123-K145 HydrophobicContact CG-CB 4.31Å; P123-K145 HydrophobicContact CG-CD 4.26Å |
| 146 | V | 88.8 | Confident | 68.1 | Low | 80 Ų | 80 | 103.5 Ų | 103.5 | 49% | 0.485 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.3 | 135.8 | 179.1 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | K120 | K120-V146 HydrophobicContact CG-CG2 4.34Å |
| 147 | L | 81.5 | Confident | 65.4 | Low | 18 Ų | 18 | 106 Ų | 106 | 9% | 0.094 | 58% | 0.576 | C | S | . | * | trans | -75.7 | 121.4 | 172.7 | -155.9 | 84.5 | 0 | 0 | 0 | 108.8 | E65 Q119 Y121 S149 S150 | E65-L147 HydrophobicContact CG-CD1 3.82Å; Q119-L147 PolarHBondContact O-N 3.41Å; Y121-L147 HydrophobicContact CD1-CD1 3.68Å; Y121-L147 HydrophobicContact CE1-CD1 3.97Å; Y121-L147 HydrophobicContact CG-CD1 4.46Å; L147-S149 PolarHBondContact O-N 3.16Å; L147-S150 PolarHBondContact O-N 3.28Å | ||
| 148 | E | 67.7 | Low | 62.8 | Low | 163 Ų | 163 | 104.1 Ų | 104.1 | 76% | 0.762 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -62 | -17.2 | -172.5 | -67.5 | -174.5 | 170.5 | 0 | 0 | 113.9 | S150 A151 | E148-S150 PolarHBondContact O-N 3.21Å; E148-A151 WeakPolarHBondContact O-CB 3.11Å; E148-A151 PolarHBondContact O-N 3.31Å |
| 149 | S | 56.6 | Low | 60.7 | Low | 95 Ų | 95 | 105.3 Ų | 105.3 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -65.5 | -23.8 | 173 | -50 | 0 | 0 | 0 | 0 | 113.5 | L147 | L147-S149 PolarHBondContact O-N 3.16Š|
| 150 | S | 44.1 | Very low | 58.2 | Low | 57 Ų | 57 | 107.3 Ų | 107.3 | 40% | 0.399 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -84.6 | -8.3 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | L147 E148 K152 | L147-S150 PolarHBondContact O-N 3.28Å; E148-S150 PolarHBondContact O-N 3.21Å; S150-K152 VanDerWaalsContact C-N 3.29Å; S150-K152 PolarHBondContact O-N 3.12Å |
| 151 | A | 43.2 | Very low | 56 | Low | 76 Ų | 76 | 110.4 Ų | 110.4 | 63% | 0.628 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -82.3 | 2.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E148 | E148-A151 WeakPolarHBondContact O-CB 3.11Å; E148-A151 PolarHBondContact O-N 3.31Å |
| 152 | K | 42.4 | Very low | 53.5 | Low | 193 Ų | 193 | 120 Ų | 120 | 84% | 0.839 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -83.6 | -7.3 | 178.6 | -77 | -168.5 | 177.2 | -177.7 | 0 | 115 | S150 | S150-K152 VanDerWaalsContact C-N 3.29Å; S150-K152 PolarHBondContact O-N 3.12Å |
| 153 | N | 39.7 | Very low | 51.1 | Low | 161 Ų | 161 | 121.1 Ų | 121.1 | 86% | 0.861 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -125.1 | 94 | 174.8 | -76.4 | -8.6 | 0 | 0 | 0 | 111 | ||
| 154 | G | 32.5 | Very low | 48.3 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 129.6 | 98.1 | 159 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 155 | F | 33.2 | Very low | 45.6 | Very low | 218 Ų | 218 | 133.5 Ų | 133.5 | 96% | 0.956 | 71% | 0.706 | S | S | * | * | trans | 41.7 | 127.7 | 151.1 | -74.7 | -89.3 | 0 | 0 | 0 | 122.9 | ||||
| 156 | K | 37.3 | Very low | 42.8 | Very low | 207 Ų | 207 | 138.4 Ų | 138.4 | 90% | 0.9 | 73% | 0.727 | S | S | * | * | trans | -69 | 148.6 | 175.1 | -61.7 | 173.5 | 176.7 | 175.7 | 0 | 113.2 | ||||
| 157 | S | 29.5 | Very low | 40.7 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -161 | 117.8 | 136.8 | 56.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 158 | S | 32.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -80.2 | 162.3 | 167.9 | -74.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 159 | P | 40.8 | Very low | 37.2 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | -138.9 | 136 | 88 | 22.7 | -1.1 | 0 | 0 | 0 | 113.8 | |||||
| 160 | S | 32 | Very low | 36.6 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | 55.4 | 127.8 | 91.9 | 154.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 161 | R | 38 | Very low | 36.2 | Very low | 217 Ų | 217 | 149.9 Ų | 149.9 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | cis | -169.2 | 160.5 | 22.5 | -99.8 | 159.8 | -163.5 | -171.3 | 3.1 | 104.3 | ||||
| 162 | R | 31.3 | Very low | 36.1 | Very low | 230 Ų | 230 | 151.4 Ų | 151.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | -177.3 | 152.3 | 54.5 | -136.5 | 169.5 | -160.5 | 178 | 3.9 | 109.4 | |||||
| 163 | M | 34.4 | Very low | 35.6 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -87.8 | 162.1 | -176.7 | -56.7 | -145.6 | 75.4 | 0 | 0 | 114.2 | ||||
| 164 | S | 30 | Very low | 35.2 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | -165.9 | 156.4 | 112.8 | 93.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 165 | R | 32 | Very low | 35 | Very low | 205 Ų | 205 | 153.6 Ų | 153.6 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -125.3 | 141.2 | -173 | -84.5 | 176.6 | 159.6 | 179.9 | -4.5 | 110 | ||||
| 166 | K | 31.7 | Very low | 35.1 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 63 | 169.8 | 139.4 | -75.4 | -171.6 | 177.5 | -170.3 | 0 | 119.8 | ||||
| 167 | P | 44.1 | Very low | 35.4 | Very low | 120 Ų | 120 | 149 Ų | 149 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | cis | -137.1 | 178.1 | -22.1 | 28.1 | -4.4 | 0 | 0 | 0 | 116.1 | ||||
| 168 | L | 36 | Very low | 35.5 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -68.6 | 173.7 | 164.6 | -74.7 | 158.1 | 0 | 0 | 0 | 113.1 | ||||
| 169 | P | 40.4 | Very low | 35.7 | Very low | 116 Ų | 116 | 152 Ų | 152 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | -151.7 | -146.2 | 37.1 | 44.5 | -20.1 | 0 | 0 | 0 | 114.2 | ||||
| 170 | P | 43.3 | Very low | 35.7 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | cis | -130.1 | -177.7 | -25.6 | 34 | -11.9 | 0 | 0 | 0 | 115.9 | ||||
| 171 | T | 35.3 | Very low | 36.1 | Very low | 134 Ų | 134 | 155.1 Ų | 155.1 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -75.4 | 166.9 | 179.6 | -6.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 172 | P | 41.4 | Very low | 36.6 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | -158.4 | 166.1 | 92.6 | 40 | -18.3 | 0 | 0 | 0 | 120.5 | |||||
| 173 | T | 30.8 | Very low | 37.4 | Very low | 115 Ų | 115 | 145 Ų | 145 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 74.8 | 122.9 | 142.3 | 46 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 174 | E | 32.7 | Very low | 37.9 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 44 | 146 | 131.4 | -69.9 | 175.6 | 167.4 | 0 | 0 | 121.4 | ||||
| 175 | E | 28.7 | Very low | 38.7 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | cis | -165.2 | 166 | 26.5 | -126.6 | 174 | -175.8 | 0 | 0 | 111 | ||||
| 176 | K | 35.4 | Very low | 39.3 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | -81.5 | 175.2 | 175.8 | -91.7 | 178.9 | -178.5 | 174.6 | 0 | 111.9 | ||||
| 177 | P | 42 | Very low | 39.7 | Very low | 130 Ų | 130 | 136 Ų | 136 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | cis | -154 | -178.9 | 35 | 40.3 | -16.4 | 0 | 0 | 0 | 119.2 | ||||
| 178 | G | 32 | Very low | 39.5 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 152.7 | 109.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 179 | R | 38.1 | Very low | 39.6 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -106.1 | 146.5 | -175.5 | -165.6 | -169.2 | -150.9 | -172.1 | 7.4 | 111.1 | ||||
| 180 | P | 39.4 | Very low | 39.5 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -106.6 | 152.7 | 149.1 | -3.4 | 23.5 | 0 | 0 | 0 | 113.2 | ||||
| 181 | L | 41.2 | Very low | 39 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 163.2 | -169.5 | -73.5 | 158 | 0 | 0 | 0 | 115 | ||
| 182 | P | 48.2 | Very low | 39.2 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 149 | -179.7 | 6.3 | 10.2 | 0 | 0 | 0 | 112.6 | ||
| 183 | P | 48.4 | Very low | 39.5 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 144.1 | 166.6 | -11.8 | 26.6 | 0 | 0 | 0 | 111.5 | ||
| 184 | G | 45.2 | Very low | 41.1 | Very low | 63 Ų | 63 | 132.8 Ų | 132.8 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 166 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 185 | P | 46.5 | Very low | 43.3 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66 | 137.8 | -176.6 | 26.5 | -31.7 | 0 | 0 | 0 | 111.1 | ||
| 186 | P | 44.9 | Very low | 45.8 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -64 | 145 | 170.3 | 8.2 | -3.9 | 0 | 0 | 0 | 111.1 | ||
| 187 | E | 38.8 | Very low | 48.1 | Very low | 176 Ų | 176 | 111.8 Ų | 111.8 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -51 | 152.8 | 167.7 | -94.3 | 175.4 | 146.5 | 0 | 0 | 111.9 | ||
| 188 | P | 39.8 | Very low | 50 | Low | 116 Ų | 116 | 107.1 Ų | 107.1 | 75% | 0.753 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 135.5 | 175.3 | -3.4 | 13.2 | 0 | 0 | 0 | 109.6 | A190 | P188-A190 PolarHBondContact O-N 3.32Š|
| 189 | P | 39.7 | Very low | 52.2 | Low | 124 Ų | 124 | 103.4 Ų | 103.4 | 81% | 0.805 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.2 | 173.4 | 23.3 | -30.5 | 0 | 0 | 0 | 109.5 | Q191 | P189-Q191 PolarHBondContact O-N 3.06Š|
| 190 | A | 36.7 | Very low | 53.3 | Low | 93 Ų | 93 | 94.8 Ų | 94.8 | 77% | 0.769 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -47 | 135.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P188 | P188-A190 PolarHBondContact O-N 3.32Š|
| 191 | Q | 34.1 | Very low | 54.2 | Low | 184 Ų | 184 | 91.1 Ų | 91.1 | 86% | 0.86 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 129.7 | 176 | -66.9 | 180 | 0.4 | 0 | 0 | 109 | P189 A193 | P189-Q191 PolarHBondContact O-N 3.06Å; Q191-A193 PolarHBondContact O-N 2.8Å |
| 192 | P | 39.8 | Very low | 55.5 | Low | 120 Ų | 120 | 89.1 Ų | 89.1 | 78% | 0.779 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 137.4 | 173.8 | 23.9 | -30.7 | 0 | 0 | 0 | 108.1 | S194 | P192-S194 PolarHBondContact O-N 2.73Š|
| 193 | A | 46.3 | Very low | 56.9 | Low | 91 Ų | 91 | 84.5 Ų | 84.5 | 75% | 0.752 | 53% | 0.525 | S | S | * | . | trans | -45.6 | 114 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q191 I195 | Q191-A193 PolarHBondContact O-N 2.8Å; A193-I195 PolarHBondContact O-N 2.93Å; A193-I195 VanDerWaalsContact O-N 3.15Å | ||
| 194 | S | 64.5 | Low | 58.3 | Low | 82 Ų | 82 | 81.9 Ų | 81.9 | 57% | 0.573 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 116.1 | 178.6 | 57.5 | 0 | 0 | 0 | 0 | 108.3 | P192 | P192-S194 PolarHBondContact O-N 2.73Š|
| 195 | I | 79.1 | Confident | 59.8 | Low | 59 Ų | 59 | 81.6 Ų | 81.6 | 30% | 0.303 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120.5 | 179.3 | -57.7 | 169.1 | 0 | 0 | 0 | 108.1 | A193 V197 I221 R224 E249 | A193-I195 PolarHBondContact O-N 2.93Å; A193-I195 VanDerWaalsContact O-N 3.15Å; I195-V197 HydrophobicContact CG2-CG1 4.44Å; I195-I221 WeakPolarHBondContact O-CB 3.42Å; I195-I221 PolarHBondContact O-N 3.03Å; I195-R224 VanDerWaalsContact CD1-NH2 3.31Å; I195-E249 HydrophobicContact CG2-CG 4.13Å |
| 196 | T | 82.5 | Confident | 60.6 | Low | 47 Ų | 47 | 77.6 Ų | 77.6 | 29% | 0.288 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 132.8 | 173.2 | -50.8 | 0 | 0 | 0 | 0 | 109.4 | E218 Y219 A250 | T196-E218 HydrophobicContact CG2-CB 3.99Å; T196-E218 HydrophobicContact CG2-CG 4.14Å; T196-Y219 CarbonylContact C-O 3.56Å; T196-Y219 WeakPolarHBondContact CA-O 3.42Å; T196-A250 HydrophobicContact CG2-CB 4.34Å; T196-A250 WeakPolarHBondContact O-CB 3.4Å; T196-A250 PolarHBondContact O-N 3.12Å |
| 197 | V | 82.7 | Confident | 61.7 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 153.3 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 109.6 | I195 E218 Y219 I221 W230 I242 V247 V248 E249 | I195-V197 HydrophobicContact CG2-CG1 4.44Å; V197-E218 CarbonylContact O-C 3.48Å; V197-E218 WeakPolarHBondContact O-CA 3.23Å; V197-Y219 PolarHBondContact N-O 2.67Å; V197-Y219 PolarHBondContact O-N 2.6Å; V197-I221 HydrophobicContact CB-CD1 4.45Å; V197-I221 HydrophobicContact CB-CG1 4.42Å; V197-I221 HydrophobicContact CG1-CD1 3.98Å; V197-I221 HydrophobicContact CG1-CG1 3.56Å; V197-I221 HydrophobicContact CG2-CD1 3.58Å; V197-I221 HydrophobicContact CG2-CG1 3.98Å; V197-W230 HydrophobicContact CG1-CZ3 4.23Å; V197-I242 HydrophobicContact CG2-CD1 4.37Å; V197-V247 HydrophobicContact CB-CB 3.92Å; V197-V247 HydrophobicContact CB-CG2 4.16Å; V197-V247 HydrophobicContact CG1-CG2 4.42Å; V197-V247 HydrophobicContact CG2-CB 3.73Å; V197-V247 HydrophobicContact CG2-CG1 4.06Å; V197-V247 HydrophobicContact CG2-CG2 3.92Å; V197-V248 CarbonylContact C-O 3.56Å; V197-V248 WeakPolarHBondContact CA-O 3.39Å; V197-V248 VanDerWaalsContact CB-O 3.22Å; V197-V248 WeakPolarHBondContact CB-O 3.37Å; V197-E249 HydrophobicContact CG1-CG 4.48Å |
| 198 | V | 81.6 | Confident | 63.4 | Low | 31 Ų | 31 | 71.3 Ų | 71.3 | 19% | 0.188 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.4 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | E200 E217 E218 V247 V248 A250 | V198-E200 PolarHBondContact O-N 2.88Å; V198-E217 WeakPolarHBondContact CA-O 3.31Å; V198-E218 HydrophobicContact CG2-CG 3.91Å; V198-V247 CarbonylContact O-C 3.55Å; V198-V247 VanDerWaalsContact O-CA 3.28Å; V198-V247 WeakPolarHBondContact O-CA 3.22Å; V198-V248 HydrophobicContact CB-CG2 4.41Å; V198-V248 PolarHBondContact N-O 2.97Å; V198-V248 PolarHBondContact O-N 2.85Å; V198-A250 HydrophobicContact CG2-CB 4.02Å |
| 199 | A | 79.3 | Confident | 65.2 | Low | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 121.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L213 R214 D216 E217 Y219 Y246 V247 | A199-L213 HydrophobicContact CB-CB 3.9Å; A199-L213 HydrophobicContact CB-CD1 4.5Å; A199-L213 HydrophobicContact CB-CD2 4.24Å; A199-L213 HydrophobicContact CB-CG 4.46Å; A199-R214 VanDerWaalsContact CB-O 3.31Å; A199-R214 WeakPolarHBondContact CB-O 3.46Å; A199-D216 PolarHBondContact O-N 3.27Å; A199-E217 PolarHBondContact N-O 3.07Å; A199-Y219 HydrophobicContact CB-CD2 4.25Å; A199-Y219 HydrophobicContact CB-CE2 3.79Å; A199-Y246 WeakPolarHBondContact CA-O 3.13Å; A199-V247 HydrophobicContact CB-CG1 4.35Å |
| 200 | E | 60.1 | Low | 67.3 | Low | 45 Ų | 45 | 65.8 Ų | 65.8 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -78.9 | -24.5 | 173.8 | -73.1 | -160.3 | 143.3 | 0 | 0 | 112.5 | V198 K215 Y246 V248 | V198-E200 PolarHBondContact O-N 2.88Å; E200-K215 WeakPolarHBondContact O-CD 3.34Å; E200-K215 WeakPolarHBondContact O-CE 3.39Å; E200-K215 WeakPolarHBondContact O-CG 3.17Å; E200-Y246 PolarHBondContact N-O 3.37Å; E200-V248 VanDerWaalsContact CD-CG1 3.42Å; E200-V248 HydrophobicContact CG-CB 4.33Å; E200-V248 HydrophobicContact CG-CG1 3.71Å; E200-V248 HydrophobicContact CG-CG2 3.78Å; E200-V248 WeakPolarHBondContact OE1-CG1 3.5Å |
| 201 | Y | 59.6 | Low | 69.7 | Low | 44 Ų | 44 | 61.4 Ų | 61.4 | 17% | 0.173 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -137 | 152.4 | -174.9 | -49.2 | -76.8 | 0 | 0 | 0 | 111 | Y246 A359 P361 | Y201-Y246 HydrophobicContact CD2-CD1 4.42Å; Y201-Y246 HydrophobicContact CD2-CG 4.42Å; Y201-A359 PolarHBondContact OH-O 2.97Å; Y201-P361 HydrophobicContact CD1-CB 3.75Å; Y201-P361 HydrophobicContact CD1-CG 4.08Å; Y201-P361 HydrophobicContact CD2-CB 4.33Å; Y201-P361 HydrophobicContact CE1-CB 3.67Å; Y201-P361 HydrophobicContact CE1-CG 4.05Å; Y201-P361 HydrophobicContact CE2-CB 4.3Å; Y201-P361 HydrophobicContact CG-CB 4.09Å |
| 202 | D | 68.2 | Low | 72.4 | Confident | 114 Ų | 114 | 56.2 Ų | 56.2 | 61% | 0.61 | 34% | 0.338 | S | S | * | . | trans | -67.6 | 134.6 | 167.3 | -62.4 | -41.4 | 0 | 0 | 0 | 109.7 | L213 R214 K215 | D202-L213 CarbonylContact C-O 3.55Å; D202-L213 WeakPolarHBondContact CA-O 3.48Å; D202-R214 WeakPolarHBondContact OD1-CA 2.81Å; D202-K215 WeakPolarHBondContact OD1-CB 3.4Å; D202-K215 PolarHBondContact OD1-N 3.47Å | ||
| 203 | Y | 76.8 | Confident | 74.5 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -128.9 | 115.1 | 173.2 | 176.9 | -104.1 | 0 | 0 | 0 | 109.4 | M206 D210 L211 E212 L213 W229 P243 Y246 | Y203-M206 HydrophobicContact CE2-CE 4.05Å; Y203-M206 HydrophobicContact CE2-CG 4.17Å; Y203-M206 HydrophobicContact CE2-SD 4.28Å; Y203-M206 WeakPolarHBondContact OH-CB 3.32Å; Y203-M206 WeakPolarHBondContact OH-CG 3.46Å; Y203-M206 PolarHBondContact OH-N 3.02Å; Y203-D210 HydrophobicContact CE1-CB 3.97Å; Y203-D210 PolarHBondContact OH-OD2 2.83Å; Y203-L211 WeakPolarHBondContact CD1-O 3.47Å; Y203-E212 WeakPolarHBondContact O-CA 3.47Å; Y203-L213 PolarHBondContact N-O 2.81Å; Y203-L213 PolarHBondContact O-N 3.39Å; Y203-W229 HydrophobicContact CE1-CZ3 4.37Å; Y203-W229 HydrophobicContact CE2-CH2 4.25Å; Y203-W229 AromaticContact CZ-CH2 3.82Å; Y203-W229 VanDerWaalsContact OH-CH2 3.25Å; Y203-W229 WeakPolarHBondContact OH-CH2 3.37Å; Y203-P243 HydrophobicContact CD1-CG 4.35Å; Y203-P243 HydrophobicContact CD2-CG 3.7Å; Y203-P243 HydrophobicContact CE1-CG 4.35Å; Y203-P243 HydrophobicContact CE2-CG 3.71Å; Y203-P243 HydrophobicContact CG-CG 4.05Å; Y203-Y246 HydrophobicContact CD2-CD1 4.34Å; Y203-Y246 HydrophobicContact CD2-CE1 4.2Å; Y203-Y246 HydrophobicContact CG-CD1 4.46Å |
| 204 | A | 77.3 | Confident | 76.3 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | trans | -79.9 | 129.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | M206 | A204-M206 PolarHBondContact O-N 3.31Š| ||
| 205 | P | 77.3 | Confident | 76.8 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | trans | -52.3 | 121.4 | 176 | -28.2 | 36.2 | 0 | 0 | 0 | 111.7 | D210 E212 | P205-D210 HydrophobicContact CB-CB 3.94Å; P205-E212 HydrophobicContact CG-CB 3.77Å | ||
| 206 | M | 64 | Low | 76.4 | Confident | 42 Ų | 42 | 54.4 Ų | 54.4 | 21% | 0.207 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -86.6 | -29.1 | 175.8 | -65.9 | -178 | 177.8 | 0 | 0 | 111.4 | Y203 A204 D210 T364 W398 | Y203-M206 HydrophobicContact CE2-CE 4.05Å; Y203-M206 HydrophobicContact CE2-CG 4.17Å; Y203-M206 HydrophobicContact CE2-SD 4.28Å; Y203-M206 WeakPolarHBondContact OH-CB 3.32Å; Y203-M206 WeakPolarHBondContact OH-CG 3.46Å; Y203-M206 PolarHBondContact OH-N 3.02Å; A204-M206 PolarHBondContact O-N 3.31Å; M206-D210 WeakPolarHBondContact CA-OD2 3.48Å; M206-D210 WeakPolarHBondContact CB-OD2 3.26Å; M206-D210 PolarHBondContact N-OD2 3.48Å; M206-T364 HydrophobicContact CE-CG2 4.07Å; M206-W398 HydrophobicContact SD-CH2 4.15Å; M206-W398 HydrophobicContact SD-CZ3 4.42Å |
| 207 | T | 67.9 | Low | 76.5 | Confident | 28 Ų | 28 | 54 Ų | 54 | 17% | 0.172 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -123.6 | 160.4 | 174.6 | 88.1 | 0 | 0 | 0 | 0 | 111.7 | Q209 D210 V371 | T207-Q209 PolarHBondContact O-N 3Å; T207-Q209 VanDerWaalsContact O-N 3.11Å; T207-Q209 PolarHBondContact OG1-N 3.4Å; T207-Q209 VanDerWaalsContact OG1-N 3.12Å; T207-D210 PolarHBondContact N-OD2 2.97Å; T207-D210 WeakPolarHBondContact O-CB 3.47Å; T207-D210 PolarHBondContact O-N 3.36Å; T207-D210 VanDerWaalsContact OG1-CG 3.26Å; T207-D210 PolarHBondContact OG1-N 2.8Å; T207-D210 PolarHBondContact OG1-OD1 2.85Å; T207-V371 HydrophobicContact CG2-CG2 4.35Å |
| 208 | P | 74.2 | Confident | 76.7 | Confident | 139 Ų | 139 | 60 Ų | 60 | 90% | 0.903 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -16.2 | 172.5 | -21.9 | 33.3 | 0 | 0 | 0 | 114.2 | D210 | P208-D210 VanDerWaalsContact C-N 3.34Š|
| 209 | Q | 76.7 | Confident | 77.1 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -9.7 | 178.4 | -57.5 | 178.5 | 1 | 0 | 0 | 111.9 | T207 G240 Y241 | T207-Q209 PolarHBondContact O-N 3Å; T207-Q209 VanDerWaalsContact O-N 3.11Å; T207-Q209 PolarHBondContact OG1-N 3.4Å; T207-Q209 VanDerWaalsContact OG1-N 3.12Å; Q209-G240 CarbonylContact O-C 3.59Å; Q209-G240 VanDerWaalsContact O-CA 3.23Å; Q209-G240 WeakPolarHBondContact O-CA 3.5Å; Q209-Y241 HydrophobicContact CB-CD2 4.27Å; Q209-Y241 PolarHBondContact O-N 3.48Å |
| 210 | D | 84 | Confident | 77.7 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -86.3 | 149.7 | -177.8 | -60 | -0.3 | 0 | 0 | 0 | 111.5 | Y203 P205 M206 T207 P208 Y241 | Y203-D210 HydrophobicContact CE1-CB 3.97Å; Y203-D210 PolarHBondContact OH-OD2 2.83Å; P205-D210 HydrophobicContact CB-CB 3.94Å; M206-D210 WeakPolarHBondContact CA-OD2 3.48Å; M206-D210 WeakPolarHBondContact CB-OD2 3.26Å; M206-D210 PolarHBondContact N-OD2 3.48Å; T207-D210 PolarHBondContact N-OD2 2.97Å; T207-D210 WeakPolarHBondContact O-CB 3.47Å; T207-D210 PolarHBondContact O-N 3.36Å; T207-D210 VanDerWaalsContact OG1-CG 3.26Å; T207-D210 PolarHBondContact OG1-N 2.8Å; T207-D210 PolarHBondContact OG1-OD1 2.85Å; P208-D210 VanDerWaalsContact C-N 3.34Å; D210-Y241 VanDerWaalsContact CA-O 3.31Å; D210-Y241 WeakPolarHBondContact CA-O 3.46Å |
| 211 | L | 88.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -103 | 137.3 | 174 | -176.4 | 66.7 | 0 | 0 | 0 | 109.8 | Y203 L213 Y219 A232 D234 K238 Y241 I242 | Y203-L211 WeakPolarHBondContact CD1-O 3.47Å; L211-L213 PolarHBondContact O-N 2.65Å; L211-Y219 HydrophobicContact CD2-CD1 3.8Å; L211-Y219 HydrophobicContact CD2-CE1 4.05Å; L211-Y219 HydrophobicContact CG-CE1 4.35Å; L211-A232 HydrophobicContact CD2-CB 4.24Å; L211-D234 HydrophobicContact CD1-CB 4.26Å; L211-D234 HydrophobicContact CD2-CB 4.2Å; L211-K238 HydrophobicContact CD1-CB 4Å; L211-K238 HydrophobicContact CD1-CD 3.81Å; L211-K238 HydrophobicContact CD1-CG 3.83Å; L211-Y241 PolarHBondContact N-O 3.49Å; L211-I242 HydrophobicContact CB-CG2 3.68Å; L211-I242 HydrophobicContact CD2-CG2 4.09Å; L211-I242 HydrophobicContact CG-CG2 4.23Å |
| 212 | E | 88.8 | Confident | 80.4 | Confident | 75 Ų | 75 | 60 Ų | 60 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 126.9 | 177.5 | -176.5 | -173.6 | 163.3 | 0 | 0 | 109.1 | Y203 P205 R214 Y219 | Y203-E212 WeakPolarHBondContact O-CA 3.47Å; P205-E212 HydrophobicContact CG-CB 3.77Å; E212-R214 HydrophobicContact CG-CG 4.47Å; E212-R214 IonicContact OE1-CZ 2.95Å; E212-R214 IonicContact OE1-NE 2.67Å; E212-R214 PolarHBondContact OE1-NE 3.13Å; E212-R214 IonicContact OE1-NH2 3.15Å; E212-R214 PolarHBondContact OE1-NH2 3.4Å; E212-R214 IonicContact OE2-NH2 2.57Å; E212-Y219 WeakPolarHBondContact O-CE1 3.2Å; E212-Y219 PolarHBondContact O-OH 3.42Å |
| 213 | L | 85.1 | Confident | 81.1 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -96.2 | 133 | 166.5 | -57.4 | 173.4 | 0 | 0 | 0 | 109.2 | A199 D202 Y203 L211 Y219 I242 Y246 V247 | A199-L213 HydrophobicContact CB-CB 3.9Å; A199-L213 HydrophobicContact CB-CD1 4.5Å; A199-L213 HydrophobicContact CB-CD2 4.24Å; A199-L213 HydrophobicContact CB-CG 4.46Å; D202-L213 CarbonylContact C-O 3.55Å; D202-L213 WeakPolarHBondContact CA-O 3.48Å; Y203-L213 PolarHBondContact N-O 2.81Å; Y203-L213 PolarHBondContact O-N 3.39Å; L211-L213 PolarHBondContact O-N 2.65Å; L213-Y219 VanDerWaalsContact CA-OH 3.28Å; L213-Y219 WeakPolarHBondContact CA-OH 3.37Å; L213-Y219 HydrophobicContact CD2-CD1 4.01Å; L213-Y219 HydrophobicContact CD2-CD2 3.71Å; L213-Y219 HydrophobicContact CD2-CE1 3.83Å; L213-Y219 HydrophobicContact CD2-CE2 3.55Å; L213-Y219 HydrophobicContact CD2-CG 3.96Å; L213-I242 HydrophobicContact CD1-CB 4.15Å; L213-I242 HydrophobicContact CD1-CG2 4.5Å; L213-I242 HydrophobicContact CD2-CB 3.96Å; L213-I242 HydrophobicContact CD2-CD1 4.06Å; L213-I242 HydrophobicContact CD2-CG2 3.56Å; L213-I242 HydrophobicContact CG-CB 4.21Å; L213-I242 HydrophobicContact CG-CG2 4.01Å; L213-Y246 VanDerWaalsContact CD1-CB 3.43Å; L213-Y246 HydrophobicContact CD1-CD1 4.39Å; L213-Y246 HydrophobicContact CD1-CG 4.33Å; L213-V247 HydrophobicContact CD1-CG1 3.65Å; L213-V247 HydrophobicContact CD2-CG1 3.91Å; L213-V247 HydrophobicContact CG-CG1 4.45Å |
| 214 | R | 83.8 | Confident | 81.3 | Confident | 107 Ų | 107 | 63.2 Ų | 63.2 | 40% | 0.404 | 33% | 0.326 | S | S | . | . | trans | -113.2 | 128.5 | 167.5 | -69.9 | -178.7 | -177.8 | 168.6 | 6.1 | 107.7 | A199 D202 E212 D216 E217 Y219 | A199-R214 VanDerWaalsContact CB-O 3.31Å; A199-R214 WeakPolarHBondContact CB-O 3.46Å; D202-R214 WeakPolarHBondContact OD1-CA 2.81Å; E212-R214 HydrophobicContact CG-CG 4.47Å; E212-R214 IonicContact OE1-CZ 2.95Å; E212-R214 IonicContact OE1-NE 2.67Å; E212-R214 PolarHBondContact OE1-NE 3.13Å; E212-R214 IonicContact OE1-NH2 3.15Å; E212-R214 PolarHBondContact OE1-NH2 3.4Å; E212-R214 IonicContact OE2-NH2 2.57Å; R214-D216 PolarHBondContact O-N 3.17Å; R214-E217 HydrophobicContact CB-CB 4.27Å; R214-E217 HydrophobicContact CB-CG 3.74Å; R214-E217 VanDerWaalsContact O-CB 3.31Å; R214-E217 WeakPolarHBondContact O-CB 3.43Å; R214-E217 PolarHBondContact O-N 2.83Å; R214-Y219 PolarHBondContact N-OH 2.8Å | ||
| 215 | K | 74.5 | Confident | 80.7 | Confident | 93 Ų | 93 | 63.8 Ų | 63.8 | 40% | 0.404 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 136.9 | 179.7 | -179.1 | 175.4 | 179.6 | -171 | 0 | 110.2 | E200 D202 E217 | E200-K215 WeakPolarHBondContact O-CD 3.34Å; E200-K215 WeakPolarHBondContact O-CE 3.39Å; E200-K215 WeakPolarHBondContact O-CG 3.17Å; D202-K215 WeakPolarHBondContact OD1-CB 3.4Å; D202-K215 PolarHBondContact OD1-N 3.47Å; K215-E217 PolarHBondContact O-N 2.92Å |
| 216 | D | 71.1 | Confident | 80.1 | Confident | 112 Ų | 112 | 62.9 Ų | 62.9 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 4.7 | -178.6 | -48.8 | -42.1 | 0 | 0 | 0 | 115 | A199 R214 | A199-D216 PolarHBondContact O-N 3.27Å; R214-D216 PolarHBondContact O-N 3.17Å |
| 217 | E | 84.1 | Confident | 79.7 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | trans | -85.1 | 148.4 | 171.8 | -65.1 | -159.1 | 168.4 | 0 | 0 | 112.7 | V198 A199 R214 K215 Y219 K235 | V198-E217 WeakPolarHBondContact CA-O 3.31Å; A199-E217 PolarHBondContact N-O 3.07Å; R214-E217 HydrophobicContact CB-CB 4.27Å; R214-E217 HydrophobicContact CB-CG 3.74Å; R214-E217 VanDerWaalsContact O-CB 3.31Å; R214-E217 WeakPolarHBondContact O-CB 3.43Å; R214-E217 PolarHBondContact O-N 2.83Å; K215-E217 PolarHBondContact O-N 2.92Å; E217-Y219 HydrophobicContact CB-CE2 3.79Å; E217-Y219 VanDerWaalsContact O-CD2 3.32Å; E217-Y219 WeakPolarHBondContact O-CD2 3.03Å; E217-Y219 WeakPolarHBondContact O-CE2 3.25Å; E217-K235 IonicContact OE1-NZ 3.71Å; E217-K235 PolarHBondContact OE1-NZ 3.25Å; E217-K235 VanDerWaalsContact OE2-CE 3.28Å; E217-K235 WeakPolarHBondContact OE2-CE 3.31Å; E217-K235 IonicContact OE2-NZ 2.64Å; E217-K235 PolarHBondContact OE2-NZ 2.93Å | ||
| 218 | E | 88.4 | Confident | 79.3 | Confident | 125 Ų | 125 | 66 Ų | 66 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 139.3 | 179 | -74.2 | -179.7 | -166.1 | 0 | 0 | 112.2 | T196 V197 V198 | T196-E218 HydrophobicContact CG2-CB 3.99Å; T196-E218 HydrophobicContact CG2-CG 4.14Å; V197-E218 CarbonylContact O-C 3.48Å; V197-E218 WeakPolarHBondContact O-CA 3.23Å; V198-E218 HydrophobicContact CG2-CG 3.91Å |
| 219 | Y | 89.3 | Confident | 79.3 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.4 | 178.7 | -61.4 | -94.5 | 0 | 0 | 0 | 110 | T196 V197 A199 L211 E212 L213 R214 E217 R233 D234 | T196-Y219 CarbonylContact C-O 3.56Å; T196-Y219 WeakPolarHBondContact CA-O 3.42Å; V197-Y219 PolarHBondContact N-O 2.67Å; V197-Y219 PolarHBondContact O-N 2.6Å; A199-Y219 HydrophobicContact CB-CD2 4.25Å; A199-Y219 HydrophobicContact CB-CE2 3.79Å; L211-Y219 HydrophobicContact CD2-CD1 3.8Å; L211-Y219 HydrophobicContact CD2-CE1 4.05Å; L211-Y219 HydrophobicContact CG-CE1 4.35Å; E212-Y219 WeakPolarHBondContact O-CE1 3.2Å; E212-Y219 PolarHBondContact O-OH 3.42Å; L213-Y219 VanDerWaalsContact CA-OH 3.28Å; L213-Y219 WeakPolarHBondContact CA-OH 3.37Å; L213-Y219 HydrophobicContact CD2-CD1 4.01Å; L213-Y219 HydrophobicContact CD2-CD2 3.71Å; L213-Y219 HydrophobicContact CD2-CE1 3.83Å; L213-Y219 HydrophobicContact CD2-CE2 3.55Å; L213-Y219 HydrophobicContact CD2-CG 3.96Å; R214-Y219 PolarHBondContact N-OH 2.8Å; E217-Y219 HydrophobicContact CB-CE2 3.79Å; E217-Y219 VanDerWaalsContact O-CD2 3.32Å; E217-Y219 WeakPolarHBondContact O-CD2 3.03Å; E217-Y219 WeakPolarHBondContact O-CE2 3.25Å; Y219-R233 WeakPolarHBondContact CA-O 3.35Å; Y219-D234 HydrophobicContact CD1-CB 3.97Å; Y219-D234 HydrophobicContact CE1-CB 3.76Å |
| 220 | T | 90.8 | Very high | 79.7 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 29% | 0.288 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.2 | 176.5 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | L222 A232 R233 | T220-L222 PolarHBondContact O-N 3.11Å; T220-A232 CarbonylContact O-C 3.59Å; T220-A232 VanDerWaalsContact O-CA 3.26Å; T220-A232 WeakPolarHBondContact O-CA 3.43Å; T220-R233 PolarHBondContact N-O 3.12Å; T220-R233 PolarHBondContact O-N 2.79Å |
| 221 | I | 90 | Very high | 80 | Confident | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122.9 | 177.1 | -56.3 | -54.6 | 0 | 0 | 0 | 109.9 | I195 V197 R224 W230 A232 I242 | I195-I221 WeakPolarHBondContact O-CB 3.42Å; I195-I221 PolarHBondContact O-N 3.03Å; V197-I221 HydrophobicContact CB-CD1 4.45Å; V197-I221 HydrophobicContact CB-CG1 4.42Å; V197-I221 HydrophobicContact CG1-CD1 3.98Å; V197-I221 HydrophobicContact CG1-CG1 3.56Å; V197-I221 HydrophobicContact CG2-CD1 3.58Å; V197-I221 HydrophobicContact CG2-CG1 3.98Å; I221-R224 HydrophobicContact CG2-CG 3.67Å; I221-W230 HydrophobicContact CD1-CB 4.13Å; I221-W230 HydrophobicContact CD1-CE3 3.77Å; I221-W230 HydrophobicContact CG1-CE3 4.11Å; I221-W230 HydrophobicContact CG2-CB 4.37Å; I221-A232 HydrophobicContact CD1-CB 3.91Å; I221-I242 HydrophobicContact CD1-CD1 3.92Å |
| 222 | L | 86.6 | Confident | 80.1 | Confident | 58 Ų | 58 | 58 Ų | 58 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -42.2 | 177.9 | -57.4 | 179.5 | 0 | 0 | 0 | 111.4 | T220 K231 R233 E239 | T220-L222 PolarHBondContact O-N 3.11Å; L222-K231 PolarHBondContact N-O 3.4Å; L222-R233 HydrophobicContact CD1-CB 4.07Å; L222-R233 HydrophobicContact CD2-CB 4.34Å; L222-R233 HydrophobicContact CG-CB 4.24Å; L222-E239 HydrophobicContact CD1-CB 4.46Å; L222-E239 HydrophobicContact CD1-CG 3.79Å; L222-E239 WeakPolarHBondContact CD1-OE1 3.5Å |
| 223 | E | 83.8 | Confident | 80.3 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 135.8 | -177 | -59.2 | 171.5 | -144.4 | 0 | 0 | 111.4 | K231 | E223-K231 HydrophobicContact CB-CB 3.93Å; E223-K231 HydrophobicContact CG-CB 4.45Å; E223-K231 HydrophobicContact CG-CD 4.24Å; E223-K231 PolarHBondContact N-O 2.78Å; E223-K231 PolarHBondContact O-N 3.05Å; E223-K231 WeakPolarHBondContact OE1-CD 3.33Å; E223-K231 IonicContact OE1-NZ 3.29Å; E223-K231 PolarHBondContact OE1-NZ 2.79Å |
| 224 | R | 80.5 | Confident | 80.7 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 39% | 0.392 | 29% | 0.294 | S | S | . | . | trans | -115.1 | 38.3 | 175 | -64.6 | -176.5 | 173.7 | -171.9 | -6.8 | 112 | I195 I221 D226 W230 E249 | I195-R224 VanDerWaalsContact CD1-NH2 3.31Å; I221-R224 HydrophobicContact CG2-CG 3.67Å; R224-D226 VanDerWaalsContact C-N 3.31Å; R224-W230 HydrophobicContact CG-CD2 4.33Å; R224-W230 HydrophobicContact CG-CG 4.34Å; R224-E249 IonicContact CZ-OE1 2.76Å; R224-E249 IonicContact NH1-OE1 2.65Å; R224-E249 PolarHBondContact NH1-OE1 2.99Å; R224-E249 VanDerWaalsContact NH1-OE1 3.17Å; R224-E249 IonicContact NH2-OE1 2.96Å; R224-E249 PolarHBondContact NH2-OE1 2.97Å | ||
| 225 | S | 64.9 | Low | 80.8 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 61% | 0.608 | 30% | 0.3 | S | S | * | . | trans | -69.8 | -28.8 | -176.4 | 45 | 0 | 0 | 0 | 0 | 113 | ||||
| 226 | D | 65.7 | Low | 81.4 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 20% | 0.198 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -110 | 137.6 | 174 | -174 | -78.1 | 0 | 0 | 0 | 110.8 | R224 N228 W229 W230 Y369 | R224-D226 VanDerWaalsContact C-N 3.31Å; D226-N228 PolarHBondContact O-N 3.47Å; D226-N228 WeakPolarHBondContact OD1-CA 3.34Å; D226-N228 VanDerWaalsContact OD1-CB 3.31Å; D226-N228 WeakPolarHBondContact OD1-CB 3.32Å; D226-N228 PolarHBondContact OD1-N 3.41Å; D226-W229 WeakPolarHBondContact CB-O 3.09Å; D226-W229 PolarHBondContact OD1-N 3.12Å; D226-W230 PolarHBondContact O-NE1 3.28Å; D226-Y369 HydrophobicContact CB-CD2 4.32Å; D226-Y369 HydrophobicContact CB-CE2 3.56Å; D226-Y369 WeakPolarHBondContact OD2-CE2 3.48Å |
| 227 | P | 53.9 | Low | 82.1 | Confident | 95 Ų | 95 | 61 Ų | 61 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -66.4 | -22.4 | -179.2 | 24 | -32.5 | 0 | 0 | 0 | 113.8 | S244 | P227-S244 PolarHBondContact O-OG 3.49Š|
| 228 | N | 59.6 | Low | 82.3 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -110.7 | -24.5 | -170.5 | -60.5 | -49.6 | 0 | 0 | 0 | 113.7 | D226 S244 A365 R430 | D226-N228 PolarHBondContact O-N 3.47Å; D226-N228 WeakPolarHBondContact OD1-CA 3.34Å; D226-N228 VanDerWaalsContact OD1-CB 3.31Å; D226-N228 WeakPolarHBondContact OD1-CB 3.32Å; D226-N228 PolarHBondContact OD1-N 3.41Å; N228-S244 VanDerWaalsContact CA-OG 3.27Å; N228-S244 WeakPolarHBondContact CA-OG 3.5Å; N228-S244 PolarHBondContact O-N 2.82Å; N228-S244 PolarHBondContact O-OG 3.26Å; N228-A365 HydrophobicContact CB-CB 4.33Å; N228-R430 VanDerWaalsContact CG-CZ 3.49Å; N228-R430 PolarHBondContact OD1-NH1 3.17Å |
| 229 | W | 75.6 | Confident | 82.6 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 117.6 | -179.8 | -70.3 | 86.5 | 0 | 0 | 0 | 110.2 | Y203 D226 Y241 I242 P243 A365 G368 Y369 | Y203-W229 HydrophobicContact CE1-CZ3 4.37Å; Y203-W229 HydrophobicContact CE2-CH2 4.25Å; Y203-W229 AromaticContact CZ-CH2 3.82Å; Y203-W229 VanDerWaalsContact OH-CH2 3.25Å; Y203-W229 WeakPolarHBondContact OH-CH2 3.37Å; D226-W229 WeakPolarHBondContact CB-O 3.09Å; D226-W229 PolarHBondContact OD1-N 3.12Å; W229-Y241 HydrophobicContact CB-CD1 4.49Å; W229-I242 CarbonylContact C-O 3.49Å; W229-I242 WeakPolarHBondContact CA-O 3.48Å; W229-P243 HydrophobicContact CE3-CG 4.42Å; W229-P243 HydrophobicContact CH2-CG 3.79Å; W229-P243 HydrophobicContact CZ2-CG 4.41Å; W229-P243 HydrophobicContact CZ3-CG 3.82Å; W229-A365 PolarHBondContact NE1-O 3.15Å; W229-G368 VanDerWaalsContact CH2-CA 3.47Å; W229-G368 VanDerWaalsContact CZ2-C 3.46Å; W229-Y369 HydrophobicContact CB-CD2 3.48Å; W229-Y369 VanDerWaalsContact CB-CD2 3.48Å; W229-Y369 HydrophobicContact CB-CE2 4.32Å; W229-Y369 HydrophobicContact CB-CG 4Å; W229-Y369 AromaticContact CD1-CD2 3.92Å; W229-Y369 AromaticContact CG-CD2 3.77Å; W229-Y369 HydrophobicContact CG-CD2 3.77Å; W229-Y369 HydrophobicContact CG-CG 4.17Å |
| 230 | W | 85.3 | Confident | 82.5 | Confident | 40 Ų | 40 | 62.8 Ų | 62.8 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 142.6 | 178.2 | -63.3 | -14.6 | 0 | 0 | 0 | 109.8 | V197 I221 R224 D226 A232 Y241 I242 V247 | V197-W230 HydrophobicContact CG1-CZ3 4.23Å; I221-W230 HydrophobicContact CD1-CB 4.13Å; I221-W230 HydrophobicContact CD1-CE3 3.77Å; I221-W230 HydrophobicContact CG1-CE3 4.11Å; I221-W230 HydrophobicContact CG2-CB 4.37Å; R224-W230 HydrophobicContact CG-CD2 4.33Å; R224-W230 HydrophobicContact CG-CG 4.34Å; D226-W230 PolarHBondContact O-NE1 3.28Å; W230-A232 PolarHBondContact O-N 3.23Å; W230-Y241 CarbonylContact O-C 3.6Å; W230-Y241 WeakPolarHBondContact O-CA 3.39Å; W230-I242 HydrophobicContact CB-CG1 4.28Å; W230-I242 PolarHBondContact N-O 3.48Å; W230-I242 WeakPolarHBondContact O-CG1 3.35Å; W230-I242 PolarHBondContact O-N 2.8Å; W230-V247 HydrophobicContact CE3-CG2 3.92Å; W230-V247 HydrophobicContact CZ3-CG2 3.88Å |
| 231 | K | 88.7 | Confident | 82.3 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 120 | 169.9 | -166.1 | 178.8 | 175 | -175.1 | 0 | 107.6 | L222 E223 Y241 | L222-K231 PolarHBondContact N-O 3.4Å; E223-K231 HydrophobicContact CB-CB 3.93Å; E223-K231 HydrophobicContact CG-CB 4.45Å; E223-K231 HydrophobicContact CG-CD 4.24Å; E223-K231 PolarHBondContact N-O 2.78Å; E223-K231 PolarHBondContact O-N 3.05Å; E223-K231 WeakPolarHBondContact OE1-CD 3.33Å; E223-K231 IonicContact OE1-NZ 3.29Å; E223-K231 PolarHBondContact OE1-NZ 2.79Å; K231-Y241 HydrophobicContact CB-CD1 4.22Å; K231-Y241 HydrophobicContact CB-CE1 3.98Å; K231-Y241 HydrophobicContact CG-CE1 4.41Å |
| 232 | A | 91.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 163.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L211 T220 I221 W230 E239 G240 I242 | L211-A232 HydrophobicContact CD2-CB 4.24Å; T220-A232 CarbonylContact O-C 3.59Å; T220-A232 VanDerWaalsContact O-CA 3.26Å; T220-A232 WeakPolarHBondContact O-CA 3.43Å; I221-A232 HydrophobicContact CD1-CB 3.91Å; W230-A232 PolarHBondContact O-N 3.23Å; A232-E239 WeakPolarHBondContact O-CA 3.28Å; A232-G240 PolarHBondContact N-O 3.08Å; A232-G240 PolarHBondContact O-N 3.11Å; A232-G240 VanDerWaalsContact O-N 3.08Å; A232-I242 HydrophobicContact CB-CD1 3.4Å; A232-I242 HydrophobicContact CB-CG1 3.64Å; A232-I242 HydrophobicContact CB-CG2 4.11Å |
| 233 | R | 93.4 | Very high | 81.6 | Confident | 99 Ų | 99 | 59.3 Ų | 59.3 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131 | 174.2 | -169.2 | -175.3 | -69.9 | 158.8 | -1.2 | 109.2 | Y219 T220 L222 K238 E239 | Y219-R233 WeakPolarHBondContact CA-O 3.35Å; T220-R233 PolarHBondContact N-O 3.12Å; T220-R233 PolarHBondContact O-N 2.79Å; L222-R233 HydrophobicContact CD1-CB 4.07Å; L222-R233 HydrophobicContact CD2-CB 4.34Å; L222-R233 HydrophobicContact CG-CB 4.24Å; R233-K238 WeakPolarHBondContact CA-O 3.45Å; R233-E239 HydrophobicContact CB-CG 4.24Å; R233-E239 HydrophobicContact CG-CG 4.01Å; R233-E239 IonicContact CZ-OE1 2.66Å; R233-E239 VanDerWaalsContact CZ-OE1 3.23Å; R233-E239 IonicContact NE-OE1 3.21Å; R233-E239 PolarHBondContact NE-OE1 2.81Å; R233-E239 IonicContact NH2-OE1 3.9Å; R233-E239 PolarHBondContact NH2-OE1 3.47Å |
| 234 | D | 92 | Very high | 81.1 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | trans | -78.2 | 174.8 | 173.4 | 73.2 | 10.7 | 0 | 0 | 0 | 112 | L211 Y219 Y236 G237 K238 | L211-D234 HydrophobicContact CD1-CB 4.26Å; L211-D234 HydrophobicContact CD2-CB 4.2Å; Y219-D234 HydrophobicContact CD1-CB 3.97Å; Y219-D234 HydrophobicContact CE1-CB 3.76Å; D234-Y236 PolarHBondContact O-N 2.78Å; D234-Y236 VanDerWaalsContact OD1-C 3.28Å; D234-Y236 VanDerWaalsContact OD1-CA 3.29Å; D234-Y236 WeakPolarHBondContact OD1-CA 3.49Å; D234-Y236 WeakPolarHBondContact OD1-CB 3.49Å; D234-Y236 PolarHBondContact OD1-N 3.39Å; D234-G237 PolarHBondContact O-N 2.91Å; D234-G237 VanDerWaalsContact O-N 3.12Å; D234-G237 PolarHBondContact OD1-N 3.03Å; D234-K238 PolarHBondContact N-O 2.88Å; D234-K238 PolarHBondContact OD1-N 3.08Å; D234-K238 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 235 | K | 86.5 | Confident | 80.2 | Confident | 121 Ų | 121 | 53.6 Ų | 53.6 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.8 | 176 | 65.6 | -172.9 | 166.6 | -169.1 | 0 | 114.7 | E217 | E217-K235 IonicContact OE1-NZ 3.71Å; E217-K235 PolarHBondContact OE1-NZ 3.25Å; E217-K235 VanDerWaalsContact OE2-CE 3.28Å; E217-K235 WeakPolarHBondContact OE2-CE 3.31Å; E217-K235 IonicContact OE2-NZ 2.64Å; E217-K235 PolarHBondContact OE2-NZ 2.93Å |
| 236 | Y | 87.9 | Confident | 80.4 | Confident | 164 Ų | 164 | 50.6 Ų | 50.6 | 64% | 0.643 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -1.5 | 179.1 | -55.6 | -70.6 | 0 | 0 | 0 | 112.4 | D234 | D234-Y236 PolarHBondContact O-N 2.78Å; D234-Y236 VanDerWaalsContact OD1-C 3.28Å; D234-Y236 VanDerWaalsContact OD1-CA 3.29Å; D234-Y236 WeakPolarHBondContact OD1-CA 3.49Å; D234-Y236 WeakPolarHBondContact OD1-CB 3.49Å; D234-Y236 PolarHBondContact OD1-N 3.39Å |
| 237 | G | 84.4 | Confident | 80.5 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 45% | 0.454 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 85 | 6.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D234 | D234-G237 PolarHBondContact O-N 2.91Å; D234-G237 VanDerWaalsContact O-N 3.12Å; D234-G237 PolarHBondContact OD1-N 3.03Å |
| 238 | K | 89.8 | Confident | 81.1 | Confident | 111 Ų | 111 | 46.7 Ų | 46.7 | 48% | 0.483 | 22% | 0.221 | S | C | . | . | trans | -74.9 | 131.6 | 173.9 | -170 | -176.3 | 174.1 | -171.6 | 0 | 109.2 | L211 R233 D234 | L211-K238 HydrophobicContact CD1-CB 4Å; L211-K238 HydrophobicContact CD1-CD 3.81Å; L211-K238 HydrophobicContact CD1-CG 3.83Å; R233-K238 WeakPolarHBondContact CA-O 3.45Å; D234-K238 PolarHBondContact N-O 2.88Å; D234-K238 PolarHBondContact OD1-N 3.08Å; D234-K238 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 239 | E | 93.4 | Very high | 81.7 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 41% | 0.407 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 147.3 | 177.5 | -60.3 | -174.4 | 178 | 0 | 0 | 110.8 | L222 A232 R233 | L222-E239 HydrophobicContact CD1-CB 4.46Å; L222-E239 HydrophobicContact CD1-CG 3.79Å; L222-E239 WeakPolarHBondContact CD1-OE1 3.5Å; A232-E239 WeakPolarHBondContact O-CA 3.28Å; R233-E239 HydrophobicContact CB-CG 4.24Å; R233-E239 HydrophobicContact CG-CG 4.01Å; R233-E239 IonicContact CZ-OE1 2.66Å; R233-E239 VanDerWaalsContact CZ-OE1 3.23Å; R233-E239 IonicContact NE-OE1 3.21Å; R233-E239 PolarHBondContact NE-OE1 2.81Å; R233-E239 IonicContact NH2-OE1 3.9Å; R233-E239 PolarHBondContact NH2-OE1 3.47Å |
| 240 | G | 88.9 | Confident | 81 | Confident | 6 Ų | 6 | 51 Ų | 51 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.6 | -179.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q209 A232 | Q209-G240 CarbonylContact O-C 3.59Å; Q209-G240 VanDerWaalsContact O-CA 3.23Å; Q209-G240 WeakPolarHBondContact O-CA 3.5Å; A232-G240 PolarHBondContact N-O 3.08Å; A232-G240 PolarHBondContact O-N 3.11Å; A232-G240 VanDerWaalsContact O-N 3.08Å |
| 241 | Y | 85.3 | Confident | 79.7 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 137.4 | 178.3 | -67.6 | -83 | 0 | 0 | 0 | 111.1 | Q209 D210 L211 W229 W230 K231 Y369 | Q209-Y241 HydrophobicContact CB-CD2 4.27Å; Q209-Y241 PolarHBondContact O-N 3.48Å; D210-Y241 VanDerWaalsContact CA-O 3.31Å; D210-Y241 WeakPolarHBondContact CA-O 3.46Å; L211-Y241 PolarHBondContact N-O 3.49Å; W229-Y241 HydrophobicContact CB-CD1 4.49Å; W230-Y241 CarbonylContact O-C 3.6Å; W230-Y241 WeakPolarHBondContact O-CA 3.39Å; K231-Y241 HydrophobicContact CB-CD1 4.22Å; K231-Y241 HydrophobicContact CB-CE1 3.98Å; K231-Y241 HydrophobicContact CG-CE1 4.41Å; Y241-Y369 HydrophobicContact CD1-CD1 4.27Å; Y241-Y369 HydrophobicContact CD1-CG 4.33Å; Y241-Y369 HydrophobicContact CD2-CD1 4.39Å; Y241-Y369 HydrophobicContact CE1-CD1 4.14Å; Y241-Y369 HydrophobicContact CE1-CE1 4.2Å; Y241-Y369 HydrophobicContact CE2-CD1 4.26Å; Y241-Y369 HydrophobicContact CG-CD1 4.39Å; Y241-Y369 HydrophobicContact CG-CG 4.45Å |
| 242 | I | 86.1 | Confident | 78 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146 | 177.2 | 60.6 | 165.3 | 0 | 0 | 0 | 109.7 | V197 L211 L213 I221 W229 W230 A232 S244 V247 | V197-I242 HydrophobicContact CG2-CD1 4.37Å; L211-I242 HydrophobicContact CB-CG2 3.68Å; L211-I242 HydrophobicContact CD2-CG2 4.09Å; L211-I242 HydrophobicContact CG-CG2 4.23Å; L213-I242 HydrophobicContact CD1-CB 4.15Å; L213-I242 HydrophobicContact CD1-CG2 4.5Å; L213-I242 HydrophobicContact CD2-CB 3.96Å; L213-I242 HydrophobicContact CD2-CD1 4.06Å; L213-I242 HydrophobicContact CD2-CG2 3.56Å; L213-I242 HydrophobicContact CG-CB 4.21Å; L213-I242 HydrophobicContact CG-CG2 4.01Å; I221-I242 HydrophobicContact CD1-CD1 3.92Å; W229-I242 CarbonylContact C-O 3.49Å; W229-I242 WeakPolarHBondContact CA-O 3.48Å; W230-I242 HydrophobicContact CB-CG1 4.28Å; W230-I242 PolarHBondContact N-O 3.48Å; W230-I242 WeakPolarHBondContact O-CG1 3.35Å; W230-I242 PolarHBondContact O-N 2.8Å; A232-I242 HydrophobicContact CB-CD1 3.4Å; A232-I242 HydrophobicContact CB-CG1 3.64Å; A232-I242 HydrophobicContact CB-CG2 4.11Å; I242-S244 PolarHBondContact O-N 3.33Å; I242-V247 HydrophobicContact CD1-CB 4.43Å; I242-V247 HydrophobicContact CD1-CG1 3.68Å; I242-V247 HydrophobicContact CD1-CG2 3.98Å |
| 243 | P | 75.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 125.4 | 172.5 | -14.2 | 26.8 | 0 | 0 | 0 | 110.2 | Y203 W229 N245 Y246 | Y203-P243 HydrophobicContact CD1-CG 4.35Å; Y203-P243 HydrophobicContact CD2-CG 3.7Å; Y203-P243 HydrophobicContact CE1-CG 4.35Å; Y203-P243 HydrophobicContact CE2-CG 3.71Å; Y203-P243 HydrophobicContact CG-CG 4.05Å; W229-P243 HydrophobicContact CE3-CG 4.42Å; W229-P243 HydrophobicContact CH2-CG 3.79Å; W229-P243 HydrophobicContact CZ2-CG 4.41Å; W229-P243 HydrophobicContact CZ3-CG 3.82Å; P243-N245 WeakPolarHBondContact CB-OD1 3.41Å; P243-N245 PolarHBondContact O-N 3.2Å; P243-Y246 HydrophobicContact CB-CD2 3.68Å; P243-Y246 HydrophobicContact CB-CE2 4.44Å; P243-Y246 HydrophobicContact CB-CG 3.99Å; P243-Y246 HydrophobicContact CG-CD2 4.1Å; P243-Y246 HydrophobicContact CG-CG 4.11Å; P243-Y246 WeakPolarHBondContact O-CB 3.32Å; P243-Y246 PolarHBondContact O-N 3.29Å; P243-Y246 VanDerWaalsContact O-N 3.07Å |
| 244 | S | 74 | Confident | 75.6 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -64.7 | -26.4 | -178.4 | 61.3 | 0 | 0 | 0 | 0 | 113 | P227 N228 I242 Y246 V247 | P227-S244 PolarHBondContact O-OG 3.49Å; N228-S244 VanDerWaalsContact CA-OG 3.27Å; N228-S244 WeakPolarHBondContact CA-OG 3.5Å; N228-S244 PolarHBondContact O-N 2.82Å; N228-S244 PolarHBondContact O-OG 3.26Å; I242-S244 PolarHBondContact O-N 3.33Å; S244-Y246 VanDerWaalsContact C-N 3.27Å; S244-Y246 PolarHBondContact O-N 3.07Å; S244-V247 WeakPolarHBondContact O-CG2 3.11Å; S244-V247 VanDerWaalsContact O-O 3.11Å |
| 245 | N | 62.1 | Low | 74.5 | Confident | 50 Ų | 50 | 60 Ų | 60 | 27% | 0.267 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -80.6 | -3 | 176.5 | 68.6 | -50 | 0 | 0 | 0 | 114.1 | P243 | P243-N245 WeakPolarHBondContact CB-OD1 3.41Å; P243-N245 PolarHBondContact O-N 3.2Å |
| 246 | Y | 68.2 | Low | 73.5 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -98.1 | -3.6 | 176.8 | -85.4 | -123.9 | 0 | 0 | 0 | 112.6 | A199 E200 Y201 Y203 L213 P243 S244 T364 | A199-Y246 WeakPolarHBondContact CA-O 3.13Å; E200-Y246 PolarHBondContact N-O 3.37Å; Y201-Y246 HydrophobicContact CD2-CD1 4.42Å; Y201-Y246 HydrophobicContact CD2-CG 4.42Å; Y203-Y246 HydrophobicContact CD2-CD1 4.34Å; Y203-Y246 HydrophobicContact CD2-CE1 4.2Å; Y203-Y246 HydrophobicContact CG-CD1 4.46Å; L213-Y246 VanDerWaalsContact CD1-CB 3.43Å; L213-Y246 HydrophobicContact CD1-CD1 4.39Å; L213-Y246 HydrophobicContact CD1-CG 4.33Å; P243-Y246 HydrophobicContact CB-CD2 3.68Å; P243-Y246 HydrophobicContact CB-CE2 4.44Å; P243-Y246 HydrophobicContact CB-CG 3.99Å; P243-Y246 HydrophobicContact CG-CD2 4.1Å; P243-Y246 HydrophobicContact CG-CG 4.11Å; P243-Y246 WeakPolarHBondContact O-CB 3.32Å; P243-Y246 PolarHBondContact O-N 3.29Å; P243-Y246 VanDerWaalsContact O-N 3.07Å; S244-Y246 VanDerWaalsContact C-N 3.27Å; S244-Y246 PolarHBondContact O-N 3.07Å; Y246-T364 HydrophobicContact CE2-CG2 3.9Å; Y246-T364 WeakPolarHBondContact OH-CG2 3.06Å |
| 247 | V | 68.8 | Low | 72.7 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141 | -175.2 | -62 | 0 | 0 | 0 | 0 | 110.2 | V197 V198 A199 L213 W230 I242 S244 | V197-V247 HydrophobicContact CB-CB 3.92Å; V197-V247 HydrophobicContact CB-CG2 4.16Å; V197-V247 HydrophobicContact CG1-CG2 4.42Å; V197-V247 HydrophobicContact CG2-CB 3.73Å; V197-V247 HydrophobicContact CG2-CG1 4.06Å; V197-V247 HydrophobicContact CG2-CG2 3.92Å; V198-V247 CarbonylContact O-C 3.55Å; V198-V247 VanDerWaalsContact O-CA 3.28Å; V198-V247 WeakPolarHBondContact O-CA 3.22Å; A199-V247 HydrophobicContact CB-CG1 4.35Å; L213-V247 HydrophobicContact CD1-CG1 3.65Å; L213-V247 HydrophobicContact CD2-CG1 3.91Å; L213-V247 HydrophobicContact CG-CG1 4.45Å; W230-V247 HydrophobicContact CE3-CG2 3.92Å; W230-V247 HydrophobicContact CZ3-CG2 3.88Å; I242-V247 HydrophobicContact CD1-CB 4.43Å; I242-V247 HydrophobicContact CD1-CG1 3.68Å; I242-V247 HydrophobicContact CD1-CG2 3.98Å; S244-V247 WeakPolarHBondContact O-CG2 3.11Å; S244-V247 VanDerWaalsContact O-O 3.11Å |
| 248 | V | 65.6 | Low | 72.1 | Confident | 40 Ų | 40 | 57 Ų | 57 | 24% | 0.242 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 147.1 | 172.5 | -71.3 | 0 | 0 | 0 | 0 | 109.1 | V197 V198 E200 A250 | V197-V248 CarbonylContact C-O 3.56Å; V197-V248 WeakPolarHBondContact CA-O 3.39Å; V197-V248 VanDerWaalsContact CB-O 3.22Å; V197-V248 WeakPolarHBondContact CB-O 3.37Å; V198-V248 HydrophobicContact CB-CG2 4.41Å; V198-V248 PolarHBondContact N-O 2.97Å; V198-V248 PolarHBondContact O-N 2.85Å; E200-V248 VanDerWaalsContact CD-CG1 3.42Å; E200-V248 HydrophobicContact CG-CB 4.33Å; E200-V248 HydrophobicContact CG-CG1 3.71Å; E200-V248 HydrophobicContact CG-CG2 3.78Å; E200-V248 WeakPolarHBondContact OE1-CG1 3.5Å; V248-A250 PolarHBondContact O-N 2.84Å |
| 249 | E | 71.8 | Confident | 71.9 | Confident | 104 Ų | 104 | 52.5 Ų | 52.5 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 135.8 | 169.8 | -67.2 | -167.3 | 167.7 | 0 | 0 | 108.9 | I195 V197 R224 E251 | I195-E249 HydrophobicContact CG2-CG 4.13Å; V197-E249 HydrophobicContact CG1-CG 4.48Å; R224-E249 IonicContact CZ-OE1 2.76Å; R224-E249 IonicContact NH1-OE1 2.65Å; R224-E249 PolarHBondContact NH1-OE1 2.99Å; R224-E249 VanDerWaalsContact NH1-OE1 3.17Å; R224-E249 IonicContact NH2-OE1 2.96Å; R224-E249 PolarHBondContact NH2-OE1 2.97Å; E249-E251 PolarHBondContact O-N 3.47Å |
| 250 | A | 62.3 | Low | 71.4 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | trans | -56.3 | 101.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T196 V198 V248 K252 | T196-A250 HydrophobicContact CG2-CB 4.34Å; T196-A250 WeakPolarHBondContact O-CB 3.4Å; T196-A250 PolarHBondContact O-N 3.12Å; V198-A250 HydrophobicContact CG2-CB 4.02Å; V248-A250 PolarHBondContact O-N 2.84Å; A250-K252 PolarHBondContact O-N 3.3Å | ||
| 251 | E | 57.2 | Low | 71 | Confident | 65 Ų | 65 | 49 Ų | 49 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | trans | -66.3 | 129.4 | -171.1 | -69.1 | 179.8 | 150.3 | 0 | 0 | 110.1 | E249 E255 R256 R358 | E249-E251 PolarHBondContact O-N 3.47Å; E251-E255 HydrophobicContact CB-CB 4.01Å; E251-E255 HydrophobicContact CG-CB 4.24Å; E251-E255 WeakPolarHBondContact OE2-CB 3.36Å; E251-R256 WeakPolarHBondContact OE2-CA 3.19Å; E251-R256 PolarHBondContact OE2-N 3.13Å; E251-R256 VanDerWaalsContact OE2-N 3.08Å; E251-R358 IonicContact OE1-NH2 3.57Å; E251-R358 IonicContact OE2-NH2 2.73Å; E251-R358 PolarHBondContact OE2-NH2 3.39Å | ||
| 252 | K | 53.5 | Low | 70.5 | Confident | 201 Ų | 201 | 51.2 Ų | 51.2 | 87% | 0.874 | 25% | 0.254 | S | S | * | . | trans | -86.8 | 117.2 | 174.8 | -67.9 | -180 | -179.1 | 175.4 | 0 | 109.5 | A250 | A250-K252 PolarHBondContact O-N 3.3Š| ||
| 253 | G | 66.4 | Low | 69.8 | Low | 48 Ų | 48 | 58.2 Ų | 58.2 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 112.8 | -135.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R256 | G253-R256 WeakPolarHBondContact O-CG 3.46Š|
| 254 | L | 68.1 | Low | 70.1 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -84.5 | -16.8 | -177.1 | -62.4 | 175.7 | 0 | 0 | 0 | 113.7 | R256 F257 W259 Y260 Y293 I333 P334 | L254-R256 PolarHBondContact O-N 3.43Å; L254-F257 HydrophobicContact CD2-CD2 4.38Å; L254-F257 HydrophobicContact CD2-CE2 4.37Å; L254-F257 PolarHBondContact O-N 3.45Å; L254-F257 VanDerWaalsContact O-N 3.12Å; L254-W259 HydrophobicContact CD2-CH2 4.11Å; L254-Y260 HydrophobicContact CB-CD1 3.82Å; L254-Y260 HydrophobicContact CB-CD2 4.05Å; L254-Y260 HydrophobicContact CB-CE1 4.01Å; L254-Y260 HydrophobicContact CB-CE2 4.24Å; L254-Y260 HydrophobicContact CB-CG 3.83Å; L254-Y260 HydrophobicContact CD1-CD2 4.37Å; L254-Y260 HydrophobicContact CD1-CE2 4.12Å; L254-Y260 VanDerWaalsContact O-CB 3.23Å; L254-Y260 WeakPolarHBondContact O-CB 3.35Å; L254-Y293 HydrophobicContact CD1-CD1 4.26Å; L254-Y293 HydrophobicContact CD1-CE1 3.79Å; L254-Y293 HydrophobicContact CD1-CE2 4.18Å; L254-I333 HydrophobicContact CD1-CB 4.46Å; L254-I333 HydrophobicContact CD1-CD1 3.61Å; L254-I333 HydrophobicContact CD1-CG2 4.5Å; L254-I333 HydrophobicContact CD2-CB 4.04Å; L254-I333 HydrophobicContact CD2-CG2 4.33Å; L254-P334 HydrophobicContact CD2-CG 4.16Å |
| 255 | E | 68.4 | Low | 70.6 | Confident | 59 Ų | 59 | 62 Ų | 62 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -34.9 | 179.7 | -67.8 | 171.1 | -164.2 | 0 | 0 | 111.7 | E251 F257 Y260 K262 R358 | E251-E255 HydrophobicContact CB-CB 4.01Å; E251-E255 HydrophobicContact CG-CB 4.24Å; E251-E255 WeakPolarHBondContact OE2-CB 3.36Å; E255-F257 PolarHBondContact O-N 2.89Å; E255-Y260 HydrophobicContact CG-CD1 4.1Å; E255-Y260 HydrophobicContact CG-CE1 3.97Å; E255-K262 WeakPolarHBondContact OE1-CD 3.38Å; E255-K262 VanDerWaalsContact OE1-CE 3.3Å; E255-K262 WeakPolarHBondContact OE1-CE 3.3Å; E255-K262 IonicContact OE1-NZ 3.33Å; E255-K262 PolarHBondContact OE1-NZ 2.85Å; E255-R358 PolarHBondContact O-NH2 3.11Å |
| 256 | R | 65.5 | Low | 71.6 | Confident | 159 Ų | 159 | 66.4 Ų | 66.4 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -17.3 | 177.2 | 74.4 | -177.8 | 174 | 172.2 | -3.3 | 115.2 | E251 G253 L254 | E251-R256 WeakPolarHBondContact OE2-CA 3.19Å; E251-R256 PolarHBondContact OE2-N 3.13Å; E251-R256 VanDerWaalsContact OE2-N 3.08Å; G253-R256 WeakPolarHBondContact O-CG 3.46Å; L254-R256 PolarHBondContact O-N 3.43Å |
| 257 | F | 71.9 | Confident | 72.3 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 20% | 0.197 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -96.7 | 124.1 | -176.5 | -62.7 | -77.5 | 0 | 0 | 0 | 110.8 | L254 E255 W259 Y260 P334 | L254-F257 HydrophobicContact CD2-CD2 4.38Å; L254-F257 HydrophobicContact CD2-CE2 4.37Å; L254-F257 PolarHBondContact O-N 3.45Å; L254-F257 VanDerWaalsContact O-N 3.12Å; E255-F257 PolarHBondContact O-N 2.89Å; F257-W259 HydrophobicContact CB-CD2 3.74Å; F257-W259 HydrophobicContact CB-CE3 4.23Å; F257-W259 HydrophobicContact CB-CG 4.21Å; F257-W259 HydrophobicContact CB-CH2 4.13Å; F257-W259 HydrophobicContact CB-CZ2 3.57Å; F257-W259 HydrophobicContact CB-CZ3 4.43Å; F257-W259 AromaticContact CD1-CE2 4Å; F257-W259 AromaticContact CD1-CZ2 3.86Å; F257-W259 HydrophobicContact CD1-CZ2 3.86Å; F257-W259 AromaticContact CD1-NE1 3.81Å; F257-W259 AromaticContact CD2-CH2 3.98Å; F257-W259 HydrophobicContact CD2-CH2 3.98Å; F257-W259 AromaticContact CD2-CZ2 3.69Å; F257-W259 HydrophobicContact CD2-CZ2 3.69Å; F257-W259 HydrophobicContact CE1-CZ2 4.45Å; F257-W259 HydrophobicContact CE2-CZ2 4.32Å; F257-W259 AromaticContact CG-CE2 3.67Å; F257-W259 HydrophobicContact CG-CH2 4.1Å; F257-W259 AromaticContact CG-CZ2 3.43Å; F257-W259 HydrophobicContact CG-CZ2 3.43Å; F257-W259 VanDerWaalsContact CG-CZ2 3.43Å; F257-W259 AromaticContact CG-NE1 3.89Å; F257-W259 PolarHBondContact O-N 3.3Å; F257-Y260 WeakPolarHBondContact O-CB 3.4Å; F257-Y260 PolarHBondContact O-N 3.41Å; F257-P334 HydrophobicContact CD2-CG 4.09Å; F257-P334 HydrophobicContact CE1-CB 4.13Å; F257-P334 HydrophobicContact CE1-CG 4.15Å; F257-P334 HydrophobicContact CE2-CB 4.13Å; F257-P334 HydrophobicContact CE2-CG 3.27Å; F257-P334 HydrophobicContact CZ-CB 3.68Å; F257-P334 HydrophobicContact CZ-CG 3.29Å |
| 258 | D | 71.9 | Confident | 73 | Confident | 61 Ų | 61 | 72.2 Ų | 72.2 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -24.2 | -178.1 | -68.5 | -29.3 | 0 | 0 | 0 | 114.8 | Y260 I354 S356 R358 | D258-Y260 VanDerWaalsContact C-N 3.33Å; D258-I354 HydrophobicContact CB-CG2 4.19Å; D258-S356 WeakPolarHBondContact O-CB 3.39Å; D258-S356 PolarHBondContact O-OG 2.84Å; D258-R358 IonicContact OD1-CZ 2.69Å; D258-R358 IonicContact OD1-NH1 2.96Å; D258-R358 PolarHBondContact OD1-NH1 2.81Å |
| 259 | W | 84.7 | Confident | 73.8 | Confident | 17 Ų | 17 | 70.3 Ų | 70.3 | 6% | 0.064 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -7.5 | 177.7 | 50 | -106.4 | 0 | 0 | 0 | 114 | L254 F257 F282 L283 I284 I333 P334 I337 I354 | L254-W259 HydrophobicContact CD2-CH2 4.11Å; F257-W259 HydrophobicContact CB-CD2 3.74Å; F257-W259 HydrophobicContact CB-CE3 4.23Å; F257-W259 HydrophobicContact CB-CG 4.21Å; F257-W259 HydrophobicContact CB-CH2 4.13Å; F257-W259 HydrophobicContact CB-CZ2 3.57Å; F257-W259 HydrophobicContact CB-CZ3 4.43Å; F257-W259 AromaticContact CD1-CE2 4Å; F257-W259 AromaticContact CD1-CZ2 3.86Å; F257-W259 HydrophobicContact CD1-CZ2 3.86Å; F257-W259 AromaticContact CD1-NE1 3.81Å; F257-W259 AromaticContact CD2-CH2 3.98Å; F257-W259 HydrophobicContact CD2-CH2 3.98Å; F257-W259 AromaticContact CD2-CZ2 3.69Å; F257-W259 HydrophobicContact CD2-CZ2 3.69Å; F257-W259 HydrophobicContact CE1-CZ2 4.45Å; F257-W259 HydrophobicContact CE2-CZ2 4.32Å; F257-W259 AromaticContact CG-CE2 3.67Å; F257-W259 HydrophobicContact CG-CH2 4.1Å; F257-W259 AromaticContact CG-CZ2 3.43Å; F257-W259 HydrophobicContact CG-CZ2 3.43Å; F257-W259 VanDerWaalsContact CG-CZ2 3.43Å; F257-W259 AromaticContact CG-NE1 3.89Å; F257-W259 PolarHBondContact O-N 3.3Å; W259-F282 HydrophobicContact CB-CE2 3.92Å; W259-F282 HydrophobicContact CB-CZ 4.32Å; W259-F282 HydrophobicContact CG-CE2 4.31Å; W259-L283 CarbonylContact O-C 3.53Å; W259-I284 HydrophobicContact CB-CD1 3.94Å; W259-I284 HydrophobicContact CD2-CD1 3.69Å; W259-I284 HydrophobicContact CE3-CB 3.72Å; W259-I284 HydrophobicContact CE3-CD1 3.2Å; W259-I284 HydrophobicContact CE3-CG1 3.66Å; W259-I284 HydrophobicContact CG-CD1 4.04Å; W259-I284 HydrophobicContact CZ3-CB 3.94Å; W259-I284 HydrophobicContact CZ3-CD1 3.9Å; W259-I284 HydrophobicContact CZ3-CG1 3.92Å; W259-I284 HydrophobicContact CZ3-CG2 4.25Å; W259-I284 PolarHBondContact O-N 3.48Å; W259-I333 HydrophobicContact CH2-CG2 3.81Å; W259-I333 HydrophobicContact CZ3-CG2 4.08Å; W259-P334 HydrophobicContact CH2-CG 4.27Å; W259-P334 HydrophobicContact CZ2-CB 4.25Å; W259-P334 HydrophobicContact CZ2-CG 4.13Å; W259-I337 HydrophobicContact CH2-CG1 4.15Å; W259-I337 HydrophobicContact CZ2-CB 4.43Å; W259-I337 HydrophobicContact CZ2-CG1 4.22Å; W259-I337 HydrophobicContact CZ3-CG1 4.33Å; W259-I354 HydrophobicContact CB-CG1 4.34Å; W259-I354 HydrophobicContact CB-CG2 3.88Å |
| 260 | Y | 83.7 | Confident | 74.6 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 113.6 | -177.7 | -174.2 | -109.2 | 0 | 0 | 0 | 111.9 | L254 E255 F257 D258 K262 I284 D286 Y293 | L254-Y260 HydrophobicContact CB-CD1 3.82Å; L254-Y260 HydrophobicContact CB-CD2 4.05Å; L254-Y260 HydrophobicContact CB-CE1 4.01Å; L254-Y260 HydrophobicContact CB-CE2 4.24Å; L254-Y260 HydrophobicContact CB-CG 3.83Å; L254-Y260 HydrophobicContact CD1-CD2 4.37Å; L254-Y260 HydrophobicContact CD1-CE2 4.12Å; L254-Y260 VanDerWaalsContact O-CB 3.23Å; L254-Y260 WeakPolarHBondContact O-CB 3.35Å; E255-Y260 HydrophobicContact CG-CD1 4.1Å; E255-Y260 HydrophobicContact CG-CE1 3.97Å; F257-Y260 WeakPolarHBondContact O-CB 3.4Å; F257-Y260 PolarHBondContact O-N 3.41Å; D258-Y260 VanDerWaalsContact C-N 3.33Å; Y260-K262 HydrophobicContact CD1-CB 4.41Å; Y260-K262 HydrophobicContact CE1-CB 3.67Å; Y260-K262 HydrophobicContact CE1-CG 4.08Å; Y260-I284 CarbonylContact C-O 3.6Å; Y260-I284 WeakPolarHBondContact CA-O 3.42Å; Y260-I284 HydrophobicContact CD2-CB 4.12Å; Y260-I284 HydrophobicContact CD2-CG2 3.78Å; Y260-I284 HydrophobicContact CE2-CG2 4.17Å; Y260-D286 PolarHBondContact OH-OD1 2.85Å; Y260-Y293 AromaticContact CE2-CD1 3.77Å; Y260-Y293 HydrophobicContact CE2-CD1 3.77Å; Y260-Y293 AromaticContact CE2-CE1 3.89Å; Y260-Y293 HydrophobicContact CE2-CE1 3.89Å; Y260-Y293 AromaticContact CZ-CE1 3.99Å; Y260-Y293 WeakPolarHBondContact OH-CE1 3.4Å |
| 261 | C | 81.1 | Confident | 75.6 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 86.6 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 109.3 | N263 M264 I284 R285 | C261-N263 PolarHBondContact O-N 3.07Å; C261-M264 HydrophobicContact CB-CB 3.64Å; C261-M264 HydrophobicContact CB-CE 3.82Å; C261-M264 HydrophobicContact CB-CG 4.19Å; C261-M264 VanDerWaalsContact O-CB 3.23Å; C261-M264 WeakPolarHBondContact O-CB 3.24Å; C261-M264 PolarHBondContact O-N 3.32Å; C261-I284 PolarHBondContact N-O 3.03Å; C261-R285 WeakPolarHBondContact O-CA 3.38Å; C261-R285 WeakPolarHBondContact O-CB 3.36Å |
| 262 | K | 74.6 | Confident | 76.8 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -61 | -172.1 | -170.6 | -178.5 | -167.4 | 170.2 | 0 | 113.8 | E255 Y260 M264 D286 | E255-K262 WeakPolarHBondContact OE1-CD 3.38Å; E255-K262 VanDerWaalsContact OE1-CE 3.3Å; E255-K262 WeakPolarHBondContact OE1-CE 3.3Å; E255-K262 IonicContact OE1-NZ 3.33Å; E255-K262 PolarHBondContact OE1-NZ 2.85Å; Y260-K262 HydrophobicContact CD1-CB 4.41Å; Y260-K262 HydrophobicContact CE1-CB 3.67Å; Y260-K262 HydrophobicContact CE1-CG 4.08Å; K262-M264 PolarHBondContact O-N 3.49Å; K262-M264 VanDerWaalsContact O-N 3.15Å; K262-D286 WeakPolarHBondContact CG-OD2 3.41Å; K262-D286 WeakPolarHBondContact O-CB 3.41Å |
| 263 | N | 71.1 | Confident | 78.2 | Confident | 147 Ų | 147 | 60.1 Ų | 60.1 | 79% | 0.786 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 29.9 | -174.5 | -63 | -25.2 | 0 | 0 | 0 | 113.3 | C261 | C261-N263 PolarHBondContact O-N 3.07Š|
| 264 | M | 81.3 | Confident | 78.9 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 10% | 0.099 | 30% | 0.295 | C | S | . | . | trans | -95 | 124.3 | -177.1 | -171.6 | 73.4 | 68 | 0 | 0 | 110.5 | C261 K262 Q268 A269 L272 L283 R285 N357 | C261-M264 HydrophobicContact CB-CB 3.64Å; C261-M264 HydrophobicContact CB-CE 3.82Å; C261-M264 HydrophobicContact CB-CG 4.19Å; C261-M264 VanDerWaalsContact O-CB 3.23Å; C261-M264 WeakPolarHBondContact O-CB 3.24Å; C261-M264 PolarHBondContact O-N 3.32Å; K262-M264 PolarHBondContact O-N 3.49Å; K262-M264 VanDerWaalsContact O-N 3.15Å; M264-Q268 HydrophobicContact CG-CB 4.3Å; M264-Q268 HydrophobicContact SD-CB 3.39Å; M264-Q268 WeakPolarHBondContact SD-CB 3.44Å; M264-A269 HydrophobicContact CG-CB 3.91Å; M264-L272 HydrophobicContact CE-CD2 3.81Å; M264-L283 HydrophobicContact CG-CD1 4.39Å; M264-R285 HydrophobicContact CB-CB 3.89Å; M264-R285 VanDerWaalsContact O-CD 3.26Å; M264-R285 WeakPolarHBondContact O-CD 3.49Å; M264-N357 HydrophobicContact CE-CB 3.69Å | ||
| 265 | N | 83.8 | Confident | 79.4 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | trans | -85.7 | 172.5 | 173.9 | 77.2 | 42.7 | 0 | 0 | 0 | 111.9 | S267 Q268 A269 | N265-S267 PolarHBondContact O-N 2.9Å; N265-S267 WeakPolarHBondContact OD1-CB 2.96Å; N265-S267 PolarHBondContact OD1-N 2.79Å; N265-Q268 PolarHBondContact ND2-OE1 3.08Å; N265-Q268 VanDerWaalsContact ND2-OE1 3.13Å; N265-Q268 WeakPolarHBondContact OD1-CG 3.27Å; N265-Q268 PolarHBondContact OD1-N 2.95Å; N265-A269 WeakPolarHBondContact O-CB 3.43Å; N265-A269 PolarHBondContact O-N 2.77Å | ||
| 266 | R | 84.4 | Confident | 79.7 | Confident | 143 Ų | 143 | 66.5 Ų | 66.5 | 54% | 0.54 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | -178.1 | -177.6 | 179.7 | 171.7 | 173.6 | -2.7 | 112.4 | A269 E270 H311 | R266-A269 PolarHBondContact O-N 3.41Å; R266-E270 IonicContact CZ-OE1 3.45Å; R266-E270 IonicContact NE-OE1 3.17Å; R266-E270 PolarHBondContact NE-OE1 3.2Å; R266-E270 IonicContact NH2-OE1 2.77Å; R266-E270 PolarHBondContact NH2-OE1 3.36Å; R266-E270 WeakPolarHBondContact O-CG 3.36Å; R266-E270 PolarHBondContact O-N 3.15Å; R266-H311 PolarHBondContact NE-CD2 3.42Å; R266-H311 VanDerWaalsContact NE-CD2 3.33Å; R266-H311 PolarHBondContact NE-NE2 3.17Å |
| 267 | S | 82.6 | Confident | 80.2 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 58% | 0.58 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.1 | -47.4 | -176.8 | -166 | 0 | 0 | 0 | 0 | 111.2 | N265 A269 E270 Q271 | N265-S267 PolarHBondContact O-N 2.9Å; N265-S267 WeakPolarHBondContact OD1-CB 2.96Å; N265-S267 PolarHBondContact OD1-N 2.79Å; S267-A269 VanDerWaalsContact C-N 3.31Å; S267-A269 PolarHBondContact O-N 3.33Å; S267-E270 PolarHBondContact O-N 3.2Å; S267-E270 VanDerWaalsContact O-N 3.1Å; S267-Q271 PolarHBondContact O-N 3.13Å |
| 268 | Q | 82.8 | Confident | 80.4 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 34% | 0.341 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 176.8 | -67.6 | 168.4 | -35 | 0 | 0 | 111.7 | M264 N265 Q271 L272 | M264-Q268 HydrophobicContact CG-CB 4.3Å; M264-Q268 HydrophobicContact SD-CB 3.39Å; M264-Q268 WeakPolarHBondContact SD-CB 3.44Å; N265-Q268 PolarHBondContact ND2-OE1 3.08Å; N265-Q268 VanDerWaalsContact ND2-OE1 3.13Å; N265-Q268 WeakPolarHBondContact OD1-CG 3.27Å; N265-Q268 PolarHBondContact OD1-N 2.95Å; Q268-Q271 PolarHBondContact O-N 3.15Å; Q268-L272 WeakPolarHBondContact O-CB 3.48Å; Q268-L272 PolarHBondContact O-N 2.92Å |
| 269 | A | 83.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M264 N265 R266 S267 L273 L283 | M264-A269 HydrophobicContact CG-CB 3.91Å; N265-A269 WeakPolarHBondContact O-CB 3.43Å; N265-A269 PolarHBondContact O-N 2.77Å; R266-A269 PolarHBondContact O-N 3.41Å; S267-A269 VanDerWaalsContact C-N 3.31Å; S267-A269 PolarHBondContact O-N 3.33Å; A269-L273 VanDerWaalsContact O-CB 3.27Å; A269-L273 WeakPolarHBondContact O-CB 3.28Å; A269-L273 WeakPolarHBondContact O-CD1 3.19Å; A269-L273 WeakPolarHBondContact O-CG 3.38Å; A269-L273 PolarHBondContact O-N 3.07Å; A269-L283 HydrophobicContact CB-CD1 3.88Å; A269-L283 HydrophobicContact CB-CD2 4.17Å; A269-L283 HydrophobicContact CB-CG 4.43Å |
| 270 | E | 88.3 | Confident | 80.5 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 176.7 | -69.9 | -177.6 | -160.4 | 0 | 0 | 111.6 | R266 S267 K274 C309 H311 | R266-E270 IonicContact CZ-OE1 3.45Å; R266-E270 IonicContact NE-OE1 3.17Å; R266-E270 PolarHBondContact NE-OE1 3.2Å; R266-E270 IonicContact NH2-OE1 2.77Å; R266-E270 PolarHBondContact NH2-OE1 3.36Å; R266-E270 WeakPolarHBondContact O-CG 3.36Å; R266-E270 PolarHBondContact O-N 3.15Å; S267-E270 PolarHBondContact O-N 3.2Å; S267-E270 VanDerWaalsContact O-N 3.1Å; E270-K274 VanDerWaalsContact O-CB 3.29Å; E270-K274 WeakPolarHBondContact O-CB 3.48Å; E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.48Å; E270-C309 HydrophobicContact CB-CB 4.41Å; E270-C309 HydrophobicContact CG-CB 3.75Å; E270-H311 WeakPolarHBondContact CG-NE2 3.41Å; E270-H311 IonicContact OE1-CD2 3.05Å; E270-H311 IonicContact OE1-CE1 3.06Å; E270-H311 IonicContact OE1-NE2 3.49Å; E270-H311 PolarHBondContact OE1-NE2 2.65Å |
| 271 | Q | 83.4 | Confident | 80.7 | Confident | 108 Ų | 108 | 62.3 Ų | 62.3 | 51% | 0.505 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 177 | -176.3 | 178.1 | -9.4 | 0 | 0 | 111.6 | S267 Q268 K274 S275 | S267-Q271 PolarHBondContact O-N 3.13Å; Q268-Q271 PolarHBondContact O-N 3.15Å; Q271-K274 PolarHBondContact O-N 3.15Å; Q271-S275 WeakPolarHBondContact O-CB 3.47Å; Q271-S275 PolarHBondContact O-N 3.38Å; Q271-S275 PolarHBondContact O-OG 3.33Å |
| 272 | L | 81.1 | Confident | 81.2 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 179.8 | -174.1 | 64.3 | 0 | 0 | 0 | 112.3 | M264 Q268 S275 E276 L283 V355 N357 | M264-L272 HydrophobicContact CE-CD2 3.81Å; Q268-L272 WeakPolarHBondContact O-CB 3.48Å; Q268-L272 PolarHBondContact O-N 2.92Å; L272-S275 WeakPolarHBondContact CA-OG 3.41Å; L272-S275 PolarHBondContact O-OG 3.42Å; L272-E276 PolarHBondContact O-N 3.36Å; L272-L283 HydrophobicContact CD2-CD2 4.03Å; L272-V355 HydrophobicContact CD1-CG1 4.47Å; L272-V355 HydrophobicContact CD2-CG1 3.91Å; L272-V355 HydrophobicContact CG-CG1 3.6Å; L272-N357 HydrophobicContact CD2-CB 4.31Å |
| 273 | L | 83.1 | Confident | 82 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 174.6 | -74.8 | 170.3 | 0 | 0 | 0 | 111.5 | A269 N277 G281 L283 L298 V355 | A269-L273 VanDerWaalsContact O-CB 3.27Å; A269-L273 WeakPolarHBondContact O-CB 3.28Å; A269-L273 WeakPolarHBondContact O-CD1 3.19Å; A269-L273 WeakPolarHBondContact O-CG 3.38Å; A269-L273 PolarHBondContact O-N 3.07Å; L273-N277 PolarHBondContact O-N 3.48Å; L273-G281 WeakPolarHBondContact CD2-O 3.45Å; L273-L283 HydrophobicContact CD2-CD2 4.37Å; L273-L283 HydrophobicContact CG-CD2 4.11Å; L273-L298 HydrophobicContact CB-CB 4.24Å; L273-L298 WeakPolarHBondContact O-CD2 3.33Å; L273-V355 HydrophobicContact CD2-CB 3.87Å; L273-V355 HydrophobicContact CD2-CG1 4.14Å; L273-V355 HydrophobicContact CD2-CG2 3.84Å |
| 274 | K | 81.3 | Confident | 83 | Confident | 100 Ų | 100 | 50.9 Ų | 50.9 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 178.6 | -75.4 | 172 | 179.8 | 172.1 | 0 | 112.9 | E270 Q271 N277 L298 | E270-K274 VanDerWaalsContact O-CB 3.29Å; E270-K274 WeakPolarHBondContact O-CB 3.48Å; E270-K274 WeakPolarHBondContact O-CG 3.44Å; E270-K274 PolarHBondContact O-N 3.48Å; Q271-K274 PolarHBondContact O-N 3.15Å; K274-N277 WeakPolarHBondContact O-CB 3.35Å; K274-N277 PolarHBondContact O-N 2.86Å; K274-L298 HydrophobicContact CG-CD1 4.24Å |
| 275 | S | 78.3 | Confident | 83.4 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 176.2 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | Q271 L272 N277 | Q271-S275 WeakPolarHBondContact O-CB 3.47Å; Q271-S275 PolarHBondContact O-N 3.38Å; Q271-S275 PolarHBondContact O-OG 3.33Å; L272-S275 WeakPolarHBondContact CA-OG 3.41Å; L272-S275 PolarHBondContact O-OG 3.42Å; S275-N277 VanDerWaalsContact C-N 3.28Å; S275-N277 PolarHBondContact O-N 3.24Å |
| 276 | E | 74.8 | Confident | 83.3 | Confident | 85 Ų | 85 | 49.6 Ų | 49.6 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.3 | -28.7 | 173.7 | -78.7 | -66.3 | 137.5 | 0 | 0 | 112.6 | L272 K278 V355 | L272-E276 PolarHBondContact O-N 3.36Å; E276-K278 VanDerWaalsContact C-N 3.31Å; E276-K278 WeakPolarHBondContact O-CG 3.49Å; E276-K278 PolarHBondContact O-N 3.22Å; E276-K278 IonicContact OE2-NZ 2.69Å; E276-K278 PolarHBondContact OE2-NZ 2.88Å; E276-V355 HydrophobicContact CB-CG1 4.49Å; E276-V355 HydrophobicContact CB-CG2 4.03Å; E276-V355 HydrophobicContact CG-CG1 3.94Å; E276-V355 HydrophobicContact CG-CG2 4.07Å |
| 277 | N | 76.5 | Confident | 83.2 | Confident | 73 Ų | 73 | 43.7 Ų | 43.7 | 39% | 0.39 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41.4 | 170.6 | -161.4 | 13.7 | 0 | 0 | 0 | 114.4 | L273 K274 S275 K300 | L273-N277 PolarHBondContact O-N 3.48Å; K274-N277 WeakPolarHBondContact O-CB 3.35Å; K274-N277 PolarHBondContact O-N 2.86Å; S275-N277 VanDerWaalsContact C-N 3.28Å; S275-N277 PolarHBondContact O-N 3.24Å; N277-K300 VanDerWaalsContact CG-NZ 3.29Å; N277-K300 WeakPolarHBondContact O-CE 3.4Å; N277-K300 PolarHBondContact O-NZ 3.24Å; N277-K300 WeakPolarHBondContact OD1-CE 3.31Å; N277-K300 PolarHBondContact OD1-NZ 3.35Å |
| 278 | K | 76.1 | Confident | 82.9 | Confident | 90 Ų | 90 | 45.6 Ų | 45.6 | 39% | 0.391 | 24% | 0.242 | S | C | . | . | trans | -108.4 | 128 | 179.1 | -72.8 | 165.1 | -172.4 | 154 | 0 | 111.1 | E276 G280 G281 H353 | E276-K278 VanDerWaalsContact C-N 3.31Å; E276-K278 WeakPolarHBondContact O-CG 3.49Å; E276-K278 PolarHBondContact O-N 3.22Å; E276-K278 IonicContact OE2-NZ 2.69Å; E276-K278 PolarHBondContact OE2-NZ 2.88Å; K278-G280 PolarHBondContact O-N 2.86Å; K278-G281 PolarHBondContact O-N 3.2Å; K278-H353 HydrophobicContact CB-CB 4.25Å; K278-H353 HydrophobicContact CD-CB 4.18Å | ||
| 279 | D | 80.6 | Confident | 82.4 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 128.6 | 174.7 | 179 | 65.8 | 0 | 0 | 0 | 110.4 | G281 T299 K300 K352 H353 | D279-G281 VanDerWaalsContact C-N 3.27Å; D279-T299 WeakPolarHBondContact OD1-CA 3.37Å; D279-T299 PolarHBondContact OD1-OG1 2.83Å; D279-K300 HydrophobicContact CB-CB 4.14Å; D279-K300 HydrophobicContact CB-CD 4.17Å; D279-K300 HydrophobicContact CB-CG 4.03Å; D279-K300 PolarHBondContact OD1-N 3.08Å; D279-K352 IonicContact OD2-NZ 2.77Å; D279-K352 PolarHBondContact OD2-NZ 2.91Å; D279-H353 PolarHBondContact O-CD2 3.3Å; D279-H353 VanDerWaalsContact O-CD2 3.29Å |
| 280 | G | 79.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 14.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K278 L298 K352 H353 | K278-G280 PolarHBondContact O-N 2.86Å; G280-L298 WeakPolarHBondContact CA-O 3.28Å; G280-L298 PolarHBondContact N-O 2.75Å; G280-K352 PolarHBondContact O-N 3.37Å; G280-H353 PolarHBondContact O-N 3.04Å |
| 281 | G | 86.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 132.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | L273 K278 D279 L297 L298 H353 | L273-G281 WeakPolarHBondContact CD2-O 3.45Å; K278-G281 PolarHBondContact O-N 3.2Å; D279-G281 VanDerWaalsContact C-N 3.27Å; G281-L297 CarbonylContact O-C 3.58Å; G281-L297 WeakPolarHBondContact O-CA 3.32Å; G281-L297 WeakPolarHBondContact O-CD1 3.41Å; G281-L298 PolarHBondContact O-N 2.65Å; G281-H353 CarbonylContact C-O 3.46Å; G281-H353 VanDerWaalsContact CA-O 3.26Å; G281-H353 WeakPolarHBondContact CA-O 3.28Å |
| 282 | F | 92 | Very high | 80.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155.2 | -174.6 | 80.4 | -79.4 | 0 | 0 | 0 | 114.1 | W259 I284 S296 L297 I337 Q341 L351 H353 I354 V355 | W259-F282 HydrophobicContact CB-CE2 3.92Å; W259-F282 HydrophobicContact CB-CZ 4.32Å; W259-F282 HydrophobicContact CG-CE2 4.31Å; F282-I284 HydrophobicContact CD2-CD1 3.78Å; F282-I284 HydrophobicContact CE2-CD1 3.7Å; F282-S296 WeakPolarHBondContact CA-O 3.37Å; F282-L297 HydrophobicContact CB-CD1 4.1Å; F282-I337 HydrophobicContact CE2-CG2 3.75Å; F282-I337 HydrophobicContact CZ-CG2 4.07Å; F282-Q341 HydrophobicContact CE1-CG 4.46Å; F282-Q341 HydrophobicContact CZ-CG 4.24Å; F282-L351 HydrophobicContact CB-CD2 3.68Å; F282-L351 HydrophobicContact CD1-CB 3.6Å; F282-L351 HydrophobicContact CD1-CD2 4.29Å; F282-L351 HydrophobicContact CD1-CG 4.41Å; F282-L351 HydrophobicContact CD2-CB 4.19Å; F282-L351 HydrophobicContact CD2-CD1 3.91Å; F282-L351 HydrophobicContact CD2-CD2 4.01Å; F282-L351 HydrophobicContact CD2-CG 4.26Å; F282-L351 HydrophobicContact CE1-CB 3.7Å; F282-L351 HydrophobicContact CE2-CB 4.29Å; F282-L351 HydrophobicContact CE2-CD1 3.97Å; F282-L351 HydrophobicContact CG-CB 3.86Å; F282-L351 HydrophobicContact CG-CD1 4.33Å; F282-L351 HydrophobicContact CG-CD2 3.73Å; F282-L351 HydrophobicContact CG-CG 4.17Å; F282-L351 HydrophobicContact CZ-CB 4.06Å; F282-L351 HydrophobicContact CZ-CD1 4.44Å; F282-H353 WeakPolarHBondContact CD1-O 3.27Å; F282-H353 PolarHBondContact N-O 3.39Å; F282-I354 HydrophobicContact CE1-CG1 3.84Å; F282-I354 HydrophobicContact CZ-CG1 3.77Å; F282-V355 PolarHBondContact O-N 2.89Å |
| 283 | L | 92.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 160.2 | 171 | 67.9 | 84 | 0 | 0 | 0 | 110.9 | W259 M264 A269 L272 L273 R285 S296 V355 | W259-L283 CarbonylContact O-C 3.53Å; M264-L283 HydrophobicContact CG-CD1 4.39Å; A269-L283 HydrophobicContact CB-CD1 3.88Å; A269-L283 HydrophobicContact CB-CD2 4.17Å; A269-L283 HydrophobicContact CB-CG 4.43Å; L272-L283 HydrophobicContact CD2-CD2 4.03Å; L273-L283 HydrophobicContact CD2-CD2 4.37Å; L273-L283 HydrophobicContact CG-CD2 4.11Å; L283-R285 HydrophobicContact CD1-CB 4.2Å; L283-R285 HydrophobicContact CD1-CG 4.33Å; L283-S296 PolarHBondContact N-O 2.86Å; L283-S296 PolarHBondContact O-N 3.46Å; L283-V355 VanDerWaalsContact CB-O 3.3Å; L283-V355 WeakPolarHBondContact CB-O 3.3Å; L283-V355 HydrophobicContact CD2-CG1 4.27Å |
| 284 | I | 90.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 137.7 | 177.2 | -62.8 | 81.9 | 0 | 0 | 0 | 108.2 | W259 Y260 C261 F282 T294 V295 I314 I337 | W259-I284 HydrophobicContact CB-CD1 3.94Å; W259-I284 HydrophobicContact CD2-CD1 3.69Å; W259-I284 HydrophobicContact CE3-CB 3.72Å; W259-I284 HydrophobicContact CE3-CD1 3.2Å; W259-I284 HydrophobicContact CE3-CG1 3.66Å; W259-I284 HydrophobicContact CG-CD1 4.04Å; W259-I284 HydrophobicContact CZ3-CB 3.94Å; W259-I284 HydrophobicContact CZ3-CD1 3.9Å; W259-I284 HydrophobicContact CZ3-CG1 3.92Å; W259-I284 HydrophobicContact CZ3-CG2 4.25Å; W259-I284 PolarHBondContact O-N 3.48Å; Y260-I284 CarbonylContact C-O 3.6Å; Y260-I284 WeakPolarHBondContact CA-O 3.42Å; Y260-I284 HydrophobicContact CD2-CB 4.12Å; Y260-I284 HydrophobicContact CD2-CG2 3.78Å; Y260-I284 HydrophobicContact CE2-CG2 4.17Å; C261-I284 PolarHBondContact N-O 3.03Å; F282-I284 HydrophobicContact CD2-CD1 3.78Å; F282-I284 HydrophobicContact CE2-CD1 3.7Å; I284-T294 WeakPolarHBondContact CA-O 3.34Å; I284-V295 HydrophobicContact CG1-CG2 3.97Å; I284-I314 HydrophobicContact CG2-CD1 4.43Å; I284-I337 HydrophobicContact CD1-CD1 3.55Å; I284-I337 HydrophobicContact CD1-CG1 4Å; I284-I337 HydrophobicContact CG1-CD1 3.74Å; I284-I337 HydrophobicContact CG1-CG1 4.33Å |
| 285 | R | 89.7 | Confident | 82.1 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 165.9 | -179.2 | 59.6 | 179.1 | -178.8 | 75.5 | -0.6 | 111.1 | C261 M264 L283 S287 Y293 T294 S296 | C261-R285 WeakPolarHBondContact O-CA 3.38Å; C261-R285 WeakPolarHBondContact O-CB 3.36Å; M264-R285 HydrophobicContact CB-CB 3.89Å; M264-R285 VanDerWaalsContact O-CD 3.26Å; M264-R285 WeakPolarHBondContact O-CD 3.49Å; L283-R285 HydrophobicContact CD1-CB 4.2Å; L283-R285 HydrophobicContact CD1-CG 4.33Å; R285-S287 PolarHBondContact O-N 3.02Å; R285-Y293 WeakPolarHBondContact O-CA 3.27Å; R285-T294 PolarHBondContact N-O 2.88Å; R285-T294 PolarHBondContact O-N 3.36Å; R285-S296 PolarHBondContact NE-OG 2.86Å |
| 286 | D | 83.6 | Confident | 82.8 | Confident | 53 Ų | 53 | 46.3 Ų | 46.3 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 137.5 | 167.8 | -76.7 | -28.2 | 0 | 0 | 0 | 110.4 | Y260 K262 Y293 | Y260-D286 PolarHBondContact OH-OD1 2.85Å; K262-D286 WeakPolarHBondContact CG-OD2 3.41Å; K262-D286 WeakPolarHBondContact O-CB 3.41Å; D286-Y293 WeakPolarHBondContact OD1-CE1 3.35Å |
| 287 | S | 81.8 | Confident | 83.5 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | trans | -75.3 | 157.8 | 170.9 | -163.9 | 0 | 0 | 0 | 0 | 109.3 | R285 K289 K292 T294 | R285-S287 PolarHBondContact O-N 3.02Å; S287-K289 PolarHBondContact O-N 2.86Å; S287-K289 VanDerWaalsContact O-N 3.07Å; S287-K292 WeakPolarHBondContact CA-O 3.43Å; S287-K292 WeakPolarHBondContact CB-O 3.32Å; S287-K292 PolarHBondContact N-O 3.26Å; S287-T294 WeakPolarHBondContact CA-OG1 3.26Å; S287-T294 WeakPolarHBondContact CB-OG1 3.41Å; S287-T294 PolarHBondContact OG-OG1 2.77Å | ||
| 288 | S | 75.3 | Confident | 84.1 | Confident | 124 Ų | 124 | 38.8 Ų | 38.8 | 87% | 0.867 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -63.5 | -12.5 | 171.2 | 52 | 0 | 0 | 0 | 0 | 113 | ||
| 289 | K | 73.2 | Confident | 84.4 | Confident | 138 Ų | 138 | 35.2 Ų | 35.2 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -95.2 | 123.3 | 170.3 | -63.4 | -177.4 | -179.4 | -177.9 | 0 | 109.3 | S287 G291 K292 | S287-K289 PolarHBondContact O-N 2.86Å; S287-K289 VanDerWaalsContact O-N 3.07Å; K289-G291 PolarHBondContact O-N 3.37Å; K289-K292 HydrophobicContact CB-CB 4.44Å; K289-K292 HydrophobicContact CB-CD 4.24Å; K289-K292 HydrophobicContact CB-CG 4.45Å; K289-K292 HydrophobicContact CD-CD 4.45Å; K289-K292 PolarHBondContact O-N 3.26Å; K289-K292 VanDerWaalsContact O-N 3.15Å |
| 290 | A | 69.5 | Low | 84.2 | Confident | 108 Ų | 108 | 37.5 Ų | 37.5 | 89% | 0.893 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 131.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K292 | A290-K292 VanDerWaalsContact C-N 3.34Å; A290-K292 PolarHBondContact O-N 3.26Å |
| 291 | G | 69.4 | Low | 83.2 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 69% | 0.691 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 12.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K289 | K289-G291 PolarHBondContact O-N 3.37Š|
| 292 | K | 83.1 | Confident | 81.9 | Confident | 94 Ų | 94 | 43.8 Ų | 43.8 | 41% | 0.409 | 29% | 0.287 | S | S | . | . | trans | -118.7 | 156.1 | 173.2 | -64 | -167.3 | 175.9 | -166.3 | 0 | 111 | S287 K289 A290 | S287-K292 WeakPolarHBondContact CA-O 3.43Å; S287-K292 WeakPolarHBondContact CB-O 3.32Å; S287-K292 PolarHBondContact N-O 3.26Å; K289-K292 HydrophobicContact CB-CB 4.44Å; K289-K292 HydrophobicContact CB-CD 4.24Å; K289-K292 HydrophobicContact CB-CG 4.45Å; K289-K292 HydrophobicContact CD-CD 4.45Å; K289-K292 PolarHBondContact O-N 3.26Å; K289-K292 VanDerWaalsContact O-N 3.15Å; A290-K292 VanDerWaalsContact C-N 3.34Å; A290-K292 PolarHBondContact O-N 3.26Å | ||
| 293 | Y | 89.3 | Confident | 79.9 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 155.4 | -177.4 | -55.7 | -77.2 | 0 | 0 | 0 | 111.4 | L254 Y260 R285 D286 I314 I333 | L254-Y293 HydrophobicContact CD1-CD1 4.26Å; L254-Y293 HydrophobicContact CD1-CE1 3.79Å; L254-Y293 HydrophobicContact CD1-CE2 4.18Å; Y260-Y293 AromaticContact CE2-CD1 3.77Å; Y260-Y293 HydrophobicContact CE2-CD1 3.77Å; Y260-Y293 AromaticContact CE2-CE1 3.89Å; Y260-Y293 HydrophobicContact CE2-CE1 3.89Å; Y260-Y293 AromaticContact CZ-CE1 3.99Å; Y260-Y293 WeakPolarHBondContact OH-CE1 3.4Å; R285-Y293 WeakPolarHBondContact O-CA 3.27Å; D286-Y293 WeakPolarHBondContact OD1-CE1 3.35Å; Y293-I314 PolarHBondContact O-N 3.23Å; Y293-I333 HydrophobicContact CD2-CD1 3.25Å; Y293-I333 HydrophobicContact CE2-CD1 3.42Å; Y293-I333 VanDerWaalsContact CE2-CD1 3.42Å; Y293-I333 HydrophobicContact CG-CD1 3.96Å |
| 294 | T | 90.6 | Very high | 78.2 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.6 | 179.8 | -47.4 | 0 | 0 | 0 | 0 | 110.8 | I284 R285 S287 H311 Y312 N313 | I284-T294 WeakPolarHBondContact CA-O 3.34Å; R285-T294 PolarHBondContact N-O 2.88Å; R285-T294 PolarHBondContact O-N 3.36Å; S287-T294 WeakPolarHBondContact CA-OG1 3.26Å; S287-T294 WeakPolarHBondContact CB-OG1 3.41Å; S287-T294 PolarHBondContact OG-OG1 2.77Å; T294-H311 HydrophobicContact CG2-CB 3.93Å; T294-Y312 CarbonylContact C-O 3.44Å; T294-Y312 WeakPolarHBondContact CA-O 3.48Å; T294-N313 PolarHBondContact OG1-OD1 3.03Å |
| 295 | V | 92.1 | Very high | 76.5 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.7 | 168.6 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | I284 H311 Y312 I314 L324 I337 M347 L351 | I284-V295 HydrophobicContact CG1-CG2 3.97Å; V295-H311 CarbonylContact O-C 3.58Å; V295-H311 WeakPolarHBondContact O-CA 3.49Å; V295-Y312 PolarHBondContact N-O 2.9Å; V295-Y312 PolarHBondContact O-N 3.05Å; V295-I314 HydrophobicContact CG2-CD1 3.88Å; V295-I314 HydrophobicContact CG2-CG1 3.93Å; V295-L324 HydrophobicContact CG2-CD1 3.86Å; V295-L324 HydrophobicContact CG2-CD2 4.01Å; V295-L324 HydrophobicContact CG2-CG 4.48Å; V295-I337 HydrophobicContact CG2-CD1 3.95Å; V295-M347 HydrophobicContact CG1-CE 4.4Å; V295-L351 HydrophobicContact CG1-CD2 4.03Å |
| 296 | S | 92.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.3 | 174 | -52.9 | 0 | 0 | 0 | 0 | 108.6 | F282 L283 R285 R310 H311 | F282-S296 WeakPolarHBondContact CA-O 3.37Å; L283-S296 PolarHBondContact N-O 2.86Å; L283-S296 PolarHBondContact O-N 3.46Å; R285-S296 PolarHBondContact NE-OG 2.86Å; S296-R310 WeakPolarHBondContact CA-O 3.28Å; S296-H311 WeakPolarHBondContact CB-ND1 3.34Å; S296-H311 PolarHBondContact OG-ND1 3.06Å |
| 297 | L | 90.1 | Very high | 74.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.3 | -171 | 173.5 | 63.6 | 0 | 0 | 0 | 110.7 | G281 F282 C309 R310 Y312 M347 V348 S349 L351 | G281-L297 CarbonylContact O-C 3.58Å; G281-L297 WeakPolarHBondContact O-CA 3.32Å; G281-L297 WeakPolarHBondContact O-CD1 3.41Å; F282-L297 HydrophobicContact CB-CD1 4.1Å; L297-C309 CarbonylContact O-C 3.57Å; L297-C309 WeakPolarHBondContact O-CA 3.45Å; L297-R310 PolarHBondContact N-O 3.43Å; L297-R310 PolarHBondContact O-N 2.93Å; L297-Y312 HydrophobicContact CB-CE2 4.31Å; L297-Y312 HydrophobicContact CD2-CE2 4.16Å; L297-M347 HydrophobicContact CD2-CE 3.78Å; L297-V348 HydrophobicContact CD2-CG1 3.72Å; L297-V348 HydrophobicContact CG-CG1 4.35Å; L297-S349 WeakPolarHBondContact CD2-O 3.23Å; L297-L351 HydrophobicContact CD1-CD2 4.01Å; L297-L351 HydrophobicContact CD2-CD2 4.38Å |
| 298 | L | 88.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 135.1 | 171.6 | -173.3 | 72.8 | 0 | 0 | 0 | 111.2 | L273 K274 G280 G281 C309 | L273-L298 HydrophobicContact CB-CB 4.24Å; L273-L298 WeakPolarHBondContact O-CD2 3.33Å; K274-L298 HydrophobicContact CG-CD1 4.24Å; G280-L298 WeakPolarHBondContact CA-O 3.28Å; G280-L298 PolarHBondContact N-O 2.75Å; G281-L298 PolarHBondContact O-N 2.65Å; L298-C309 VanDerWaalsContact CD1-SG 3.53Å |
| 299 | T | 82.4 | Confident | 74.9 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 142.6 | 170.4 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | D279 G301 G307 S308 V348 | D279-T299 WeakPolarHBondContact OD1-CA 3.37Å; D279-T299 PolarHBondContact OD1-OG1 2.83Å; T299-G301 PolarHBondContact OG1-N 3.07Å; T299-G307 CarbonylContact O-C 3.59Å; T299-G307 VanDerWaalsContact O-CA 3.26Å; T299-G307 WeakPolarHBondContact O-CA 3.04Å; T299-S308 WeakPolarHBondContact CG2-O 3.48Å; T299-S308 PolarHBondContact N-O 2.89Å; T299-S308 PolarHBondContact O-N 3.29Å; T299-V348 HydrophobicContact CG2-CB 4.44Å; T299-V348 HydrophobicContact CG2-CG1 3.82Å; T299-V348 HydrophobicContact CG2-CG2 3.73Å |
| 300 | K | 76.3 | Confident | 75.6 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | trans | -98.5 | 9.3 | 177.9 | -68.9 | -171.3 | 167 | -173.6 | 0 | 114.2 | N277 D279 G302 | N277-K300 VanDerWaalsContact CG-NZ 3.29Å; N277-K300 WeakPolarHBondContact O-CE 3.4Å; N277-K300 PolarHBondContact O-NZ 3.24Å; N277-K300 WeakPolarHBondContact OD1-CE 3.31Å; N277-K300 PolarHBondContact OD1-NZ 3.35Å; D279-K300 HydrophobicContact CB-CB 4.14Å; D279-K300 HydrophobicContact CB-CD 4.17Å; D279-K300 HydrophobicContact CB-CG 4.03Å; D279-K300 PolarHBondContact OD1-N 3.08Å; K300-G302 PolarHBondContact O-N 3.2Å; K300-G302 VanDerWaalsContact O-N 3.09Å | ||
| 301 | G | 58.5 | Low | 76.5 | Confident | 77 Ų | 77 | 57.2 Ų | 57.2 | 79% | 0.794 | 35% | 0.35 | S | S | * | . | trans | -78.6 | 23.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | T299 | T299-G301 PolarHBondContact OG1-N 3.07Š| ||
| 302 | G | 58.7 | Low | 77.5 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -131.6 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K300 E304 | K300-G302 PolarHBondContact O-N 3.2Å; K300-G302 VanDerWaalsContact O-N 3.09Å; G302-E304 PolarHBondContact O-N 2.89Å |
| 303 | V | 50.2 | Low | 77.7 | Confident | 159 Ų | 159 | 56.3 Ų | 56.3 | 96% | 0.964 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -68.9 | -12.1 | -174.9 | -170.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 304 | E | 56.5 | Low | 77.7 | Confident | 142 Ų | 142 | 53.7 Ų | 53.7 | 66% | 0.664 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -86.6 | 130.4 | -177.6 | -67.2 | 178.8 | 169.5 | 0 | 0 | 112.5 | G302 G306 G307 | G302-E304 PolarHBondContact O-N 2.89Å; E304-G306 PolarHBondContact O-N 2.73Å; E304-G307 PolarHBondContact O-N 2.91Å |
| 305 | T | 55.9 | Low | 77.5 | Confident | 162 Ų | 162 | 55.7 Ų | 55.7 | 99% | 0.994 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 0.9 | -176.8 | 41.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 306 | G | 58.8 | Low | 77.2 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | 1.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | E304 | E304-G306 PolarHBondContact O-N 2.73Š|
| 307 | G | 69.8 | Low | 76.8 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | trans | 73.2 | 151 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T299 E304 | T299-G307 CarbonylContact O-C 3.59Å; T299-G307 VanDerWaalsContact O-CA 3.26Å; T299-G307 WeakPolarHBondContact O-CA 3.04Å; E304-G307 PolarHBondContact O-N 2.91Å | ||
| 308 | S | 81.4 | Confident | 76.3 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.2 | -176.2 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | T299 | T299-S308 WeakPolarHBondContact CG2-O 3.48Å; T299-S308 PolarHBondContact N-O 2.89Å; T299-S308 PolarHBondContact O-N 3.29Å |
| 309 | C | 86.3 | Confident | 76 | Confident | 16 Ų | 16 | 72.7 Ų | 72.7 | 11% | 0.108 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.1 | 174.6 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | E270 L297 L298 | E270-C309 HydrophobicContact CB-CB 4.41Å; E270-C309 HydrophobicContact CG-CB 3.75Å; L297-C309 CarbonylContact O-C 3.57Å; L297-C309 WeakPolarHBondContact O-CA 3.45Å; L298-C309 VanDerWaalsContact CD1-SG 3.53Å |
| 310 | R | 87.8 | Confident | 75.9 | Confident | 135 Ų | 135 | 74 Ų | 74 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.4 | 174.3 | -64.5 | -63.3 | -174.3 | 164.7 | -1 | 109.9 | S296 L297 Y312 V348 | S296-R310 WeakPolarHBondContact CA-O 3.28Å; L297-R310 PolarHBondContact N-O 3.43Å; L297-R310 PolarHBondContact O-N 2.93Å; R310-Y312 HydrophobicContact CB-CD2 4.48Å; R310-Y312 HydrophobicContact CB-CE2 3.62Å; R310-V348 HydrophobicContact CB-CG1 4.27Å; R310-V348 HydrophobicContact CG-CB 4.46Å; R310-V348 HydrophobicContact CG-CG1 3.89Å |
| 311 | H | 89.2 | Confident | 76.4 | Confident | 43 Ų | 43 | 72.1 Ų | 72.1 | 20% | 0.199 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.9 | 179.1 | -54.5 | -84.2 | 0 | 0 | 0 | 110.2 | R266 E270 T294 V295 S296 | R266-H311 PolarHBondContact NE-CD2 3.42Å; R266-H311 VanDerWaalsContact NE-CD2 3.33Å; R266-H311 PolarHBondContact NE-NE2 3.17Å; E270-H311 WeakPolarHBondContact CG-NE2 3.41Å; E270-H311 IonicContact OE1-CD2 3.05Å; E270-H311 IonicContact OE1-CE1 3.06Å; E270-H311 IonicContact OE1-NE2 3.49Å; E270-H311 PolarHBondContact OE1-NE2 2.65Å; T294-H311 HydrophobicContact CG2-CB 3.93Å; V295-H311 CarbonylContact O-C 3.58Å; V295-H311 WeakPolarHBondContact O-CA 3.49Å; S296-H311 WeakPolarHBondContact CB-ND1 3.34Å; S296-H311 PolarHBondContact OG-ND1 3.06Å |
| 312 | Y | 88.9 | Confident | 77.8 | Confident | 51 Ų | 51 | 70.6 Ų | 70.6 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.6 | -179.5 | -56.6 | -92.9 | 0 | 0 | 0 | 109.1 | T294 V295 L297 R310 M347 V348 | T294-Y312 CarbonylContact C-O 3.44Å; T294-Y312 WeakPolarHBondContact CA-O 3.48Å; V295-Y312 PolarHBondContact N-O 2.9Å; V295-Y312 PolarHBondContact O-N 3.05Å; L297-Y312 HydrophobicContact CB-CE2 4.31Å; L297-Y312 HydrophobicContact CD2-CE2 4.16Å; R310-Y312 HydrophobicContact CB-CD2 4.48Å; R310-Y312 HydrophobicContact CB-CE2 3.62Å; Y312-M347 HydrophobicContact CD1-CG 4.44Å; Y312-M347 HydrophobicContact CD2-CE 3.66Å; Y312-M347 HydrophobicContact CE1-CB 4.47Å; Y312-M347 HydrophobicContact CE1-CG 4.22Å; Y312-M347 HydrophobicContact CE2-CE 3.76Å; Y312-M347 HydrophobicContact CG-CE 4.21Å; Y312-V348 WeakPolarHBondContact OH-CB 3.38Å; Y312-V348 WeakPolarHBondContact OH-CG1 3.34Å; Y312-V348 PolarHBondContact OH-N 2.77Å |
| 313 | N | 88.9 | Confident | 79 | Confident | 91 Ų | 91 | 70.3 Ų | 70.3 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 132 | 176.9 | -67 | -45 | 0 | 0 | 0 | 109.7 | T294 C315 | T294-N313 PolarHBondContact OG1-OD1 3.03Å; N313-C315 PolarHBondContact O-N 3.32Å |
| 314 | I | 89.1 | Confident | 80.6 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 112.7 | 169.4 | -55 | -174.3 | 0 | 0 | 0 | 107.2 | I284 Y293 V295 F322 L324 I333 L336 | I284-I314 HydrophobicContact CG2-CD1 4.43Å; Y293-I314 PolarHBondContact O-N 3.23Å; V295-I314 HydrophobicContact CG2-CD1 3.88Å; V295-I314 HydrophobicContact CG2-CG1 3.93Å; I314-F322 HydrophobicContact CG2-CB 3.94Å; I314-F322 HydrophobicContact CG2-CD1 3.86Å; I314-F322 HydrophobicContact CG2-CG 4.33Å; I314-L324 HydrophobicContact CG1-CD2 3.84Å; I314-L324 HydrophobicContact CG1-CG 4.36Å; I314-I333 HydrophobicContact CD1-CG1 4.36Å; I314-I333 HydrophobicContact CD1-CG2 3.9Å; I314-I333 HydrophobicContact CG2-CG1 4.43Å; I314-L336 HydrophobicContact CD1-CD2 4.47Å; I314-L336 HydrophobicContact CG2-CD1 3.95Å |
| 315 | C | 86.2 | Confident | 81.4 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 28% | 0.284 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 154 | 177.7 | -70.4 | 0 | 0 | 0 | 0 | 110.4 | N313 F322 Y323 | N313-C315 PolarHBondContact O-N 3.32Å; C315-F322 CarbonylContact O-C 3.57Å; C315-F322 VanDerWaalsContact O-CA 3.31Å; C315-F322 WeakPolarHBondContact O-CA 3.49Å; C315-Y323 HydrophobicContact CB-CD1 3.96Å; C315-Y323 HydrophobicContact CB-CD2 4.12Å; C315-Y323 HydrophobicContact CB-CE1 3.45Å; C315-Y323 VanDerWaalsContact CB-CE1 3.45Å; C315-Y323 HydrophobicContact CB-CE2 3.63Å; C315-Y323 HydrophobicContact CB-CG 4.28Å; C315-Y323 PolarHBondContact N-O 2.91Å; C315-Y323 WeakPolarHBondContact O-CD1 3.38Å; C315-Y323 PolarHBondContact O-N 3.34Å |
| 316 | T | 84.4 | Confident | 81.8 | Confident | 67 Ų | 67 | 58.5 Ų | 58.5 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.6 | 177.9 | -48.2 | 0 | 0 | 0 | 0 | 109 | Q321 F322 | T316-Q321 CarbonylContact C-O 3.4Å; T316-Q321 VanDerWaalsContact CA-O 3.24Å; T316-Q321 WeakPolarHBondContact CA-O 3.45Å; T316-F322 HydrophobicContact CG2-CE1 4.46Å |
| 317 | T | 84.6 | Confident | 82.4 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | trans | -72.8 | 161.7 | 174.4 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | Q319 G320 Q321 Y323 | T317-Q319 PolarHBondContact O-N 2.85Å; T317-Q319 PolarHBondContact OG1-N 3.07Å; T317-G320 PolarHBondContact O-N 3.31Å; T317-Q321 HydrophobicContact CG2-CB 4.4Å; T317-Q321 PolarHBondContact N-O 3.21Å; T317-Q321 WeakPolarHBondContact OG1-CB 3.45Å; T317-Q321 PolarHBondContact OG1-N 2.87Å; T317-Q321 VanDerWaalsContact OG1-N 3.1Å; T317-Q321 PolarHBondContact OG1-O 2.8Å; T317-Y323 HydrophobicContact CG2-CD1 3.69Å; T317-Y323 HydrophobicContact CG2-CE1 3.7Å | ||
| 318 | P | 79.9 | Confident | 82.8 | Confident | 130 Ų | 130 | 69.1 Ų | 69.1 | 84% | 0.844 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.5 | 172.8 | -25.8 | 35.2 | 0 | 0 | 0 | 114.1 | G320 | P318-G320 VanDerWaalsContact C-N 3.32Š|
| 319 | Q | 81.4 | Confident | 83.1 | Confident | 146 Ų | 146 | 71.4 Ų | 71.4 | 68% | 0.682 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.8 | 177.2 | -60.6 | 75.9 | 16.2 | 0 | 0 | 113.3 | T317 | T317-Q319 PolarHBondContact O-N 2.85Å; T317-Q319 PolarHBondContact OG1-N 3.07Å |
| 320 | G | 80.9 | Confident | 83.2 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 85 | 10.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T317 P318 | T317-G320 PolarHBondContact O-N 3.31Å; P318-G320 VanDerWaalsContact C-N 3.32Å |
| 321 | Q | 87.1 | Confident | 83 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 27% | 0.271 | 36% | 0.364 | S | S | . | . | trans | -90.1 | 144.9 | -179.9 | -58.2 | -178 | -60.9 | 0 | 0 | 111.5 | T316 T317 H329 F330 N331 | T316-Q321 CarbonylContact C-O 3.4Å; T316-Q321 VanDerWaalsContact CA-O 3.24Å; T316-Q321 WeakPolarHBondContact CA-O 3.45Å; T317-Q321 HydrophobicContact CG2-CB 4.4Å; T317-Q321 PolarHBondContact N-O 3.21Å; T317-Q321 WeakPolarHBondContact OG1-CB 3.45Å; T317-Q321 PolarHBondContact OG1-N 2.87Å; T317-Q321 VanDerWaalsContact OG1-N 3.1Å; T317-Q321 PolarHBondContact OG1-O 2.8Å; Q321-H329 HydrophobicContact CB-CB 4.06Å; Q321-F330 CarbonylContact C-O 3.49Å; Q321-F330 VanDerWaalsContact CA-O 3.29Å; Q321-F330 WeakPolarHBondContact CA-O 3.38Å; Q321-F330 WeakPolarHBondContact CB-O 3.49Å; Q321-N331 PolarHBondContact NE2-OD1 3.44Å | ||
| 322 | F | 86.9 | Confident | 82.8 | Confident | 44 Ų | 44 | 71 Ų | 71 | 19% | 0.193 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 142.3 | -179 | -59.1 | -81.6 | 0 | 0 | 0 | 111.9 | I314 C315 T316 F330 I333 L336 | I314-F322 HydrophobicContact CG2-CB 3.94Å; I314-F322 HydrophobicContact CG2-CD1 3.86Å; I314-F322 HydrophobicContact CG2-CG 4.33Å; C315-F322 CarbonylContact O-C 3.57Å; C315-F322 VanDerWaalsContact O-CA 3.31Å; C315-F322 WeakPolarHBondContact O-CA 3.49Å; T316-F322 HydrophobicContact CG2-CE1 4.46Å; F322-F330 PolarHBondContact N-O 3.05Å; F322-F330 WeakPolarHBondContact O-CD2 3.32Å; F322-F330 PolarHBondContact O-N 2.88Å; F322-I333 HydrophobicContact CB-CG1 4.41Å; F322-I333 HydrophobicContact CD1-CD1 4.11Å; F322-I333 HydrophobicContact CD1-CG1 3.84Å; F322-I333 HydrophobicContact CD2-CG1 4.11Å; F322-I333 HydrophobicContact CE1-CD1 3.94Å; F322-I333 HydrophobicContact CE1-CG1 4.09Å; F322-I333 HydrophobicContact CE2-CG1 4.36Å; F322-I333 HydrophobicContact CG-CG1 3.84Å; F322-I333 HydrophobicContact CZ-CD1 4.26Å; F322-I333 HydrophobicContact CZ-CG1 4.34Å; F322-L336 HydrophobicContact CB-CD1 3.85Å |
| 323 | Y | 85.8 | Confident | 82.6 | Confident | 50 Ų | 50 | 69 Ų | 69 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 151.2 | 174.1 | 67.9 | -82.4 | 0 | 0 | 0 | 112.7 | C315 T317 E326 H328 H329 | C315-Y323 HydrophobicContact CB-CD1 3.96Å; C315-Y323 HydrophobicContact CB-CD2 4.12Å; C315-Y323 HydrophobicContact CB-CE1 3.45Å; C315-Y323 VanDerWaalsContact CB-CE1 3.45Å; C315-Y323 HydrophobicContact CB-CE2 3.63Å; C315-Y323 HydrophobicContact CB-CG 4.28Å; C315-Y323 PolarHBondContact N-O 2.91Å; C315-Y323 WeakPolarHBondContact O-CD1 3.38Å; C315-Y323 PolarHBondContact O-N 3.34Å; T317-Y323 HydrophobicContact CG2-CD1 3.69Å; T317-Y323 HydrophobicContact CG2-CE1 3.7Å; Y323-E326 HydrophobicContact CE2-CG 4.03Å; Y323-H328 WeakPolarHBondContact CB-O 3.09Å; Y323-H329 AromaticContact CD1-ND1 3.88Å; Y323-H329 AromaticContact CG-ND1 3.74Å |
| 324 | L | 81.9 | Confident | 82.5 | Confident | 26 Ų | 26 | 66 Ų | 66 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -108.3 | -34.2 | 170.8 | -79.9 | 173.1 | 0 | 0 | 0 | 112.4 | V295 I314 L336 M347 | V295-L324 HydrophobicContact CG2-CD1 3.86Å; V295-L324 HydrophobicContact CG2-CD2 4.01Å; V295-L324 HydrophobicContact CG2-CG 4.48Å; I314-L324 HydrophobicContact CG1-CD2 3.84Å; I314-L324 HydrophobicContact CG1-CG 4.36Å; L324-L336 HydrophobicContact CD1-CD2 3.42Å; L324-L336 VanDerWaalsContact CD1-CD2 3.42Å; L324-L336 HydrophobicContact CD1-CG 4.32Å; L324-L336 HydrophobicContact CG-CD1 4.17Å; L324-L336 HydrophobicContact CG-CD2 3.82Å; L324-L336 HydrophobicContact CG-CG 4.35Å; L324-M347 HydrophobicContact CD1-SD 3.96Å |
| 325 | A | 73.4 | Confident | 82.3 | Confident | 24 Ų | 24 | 70.2 Ų | 70.2 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -120.2 | 132.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | K327 H328 A345 | A325-K327 PolarHBondContact O-N 3.46Å; A325-H328 PolarHBondContact O-N 2.82Å; A325-H328 VanDerWaalsContact O-N 3.14Å; A325-A345 VanDerWaalsContact CB-O 3.29Å; A325-A345 WeakPolarHBondContact CB-O 3.33Å |
| 326 | E | 65.4 | Low | 82.4 | Confident | 164 Ų | 164 | 68.2 Ų | 68.2 | 77% | 0.766 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -16 | -170.4 | -67.8 | 179.6 | 173.1 | 0 | 0 | 114.9 | Y323 H329 | Y323-E326 HydrophobicContact CE2-CG 4.03Å; E326-H329 PolarHBondContact O-CE1 3.26Å; E326-H329 VanDerWaalsContact O-CE1 3.26Å |
| 327 | K | 71 | Confident | 82.6 | Confident | 192 Ų | 192 | 65.1 Ų | 65.1 | 84% | 0.835 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -12.1 | -177.5 | -63.1 | -172.5 | 178.9 | -176.6 | 0 | 115.3 | A325 | A325-K327 PolarHBondContact O-N 3.46Š|
| 328 | H | 79.2 | Confident | 82.4 | Confident | 75 Ų | 75 | 68.6 Ų | 68.6 | 35% | 0.347 | 36% | 0.355 | S | S | . | . | trans | -135.6 | 127.6 | -177.2 | -59.9 | 91.9 | 0 | 0 | 0 | 111.4 | Y323 A325 F330 Y339 | Y323-H328 WeakPolarHBondContact CB-O 3.09Å; A325-H328 PolarHBondContact O-N 2.82Å; A325-H328 VanDerWaalsContact O-N 3.14Å; H328-F330 HydrophobicContact CB-CE2 3.94Å; H328-F330 HydrophobicContact CB-CZ 3.84Å; H328-Y339 AromaticContact CD2-CZ 3.98Å; H328-Y339 PolarHBondContact CE1-OH 2.92Å; H328-Y339 PolarHBondContact NE2-OH 3.49Å | ||
| 329 | H | 87.4 | Confident | 82.6 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 40% | 0.403 | 33% | 0.326 | S | S | . | . | trans | -119.8 | 139.9 | -178.3 | -55.7 | -31 | 0 | 0 | 0 | 110.4 | Q321 Y323 E326 | Q321-H329 HydrophobicContact CB-CB 4.06Å; Y323-H329 AromaticContact CD1-ND1 3.88Å; Y323-H329 AromaticContact CG-ND1 3.74Å; E326-H329 PolarHBondContact O-CE1 3.26Å; E326-H329 VanDerWaalsContact O-CE1 3.26Å | ||
| 330 | F | 87.3 | Confident | 82.6 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 11% | 0.114 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -128.7 | 151.2 | -174.1 | -54.8 | -81.1 | 0 | 0 | 0 | 110.8 | Q321 F322 H328 E335 L336 Y339 | Q321-F330 CarbonylContact C-O 3.49Å; Q321-F330 VanDerWaalsContact CA-O 3.29Å; Q321-F330 WeakPolarHBondContact CA-O 3.38Å; Q321-F330 WeakPolarHBondContact CB-O 3.49Å; F322-F330 PolarHBondContact N-O 3.05Å; F322-F330 WeakPolarHBondContact O-CD2 3.32Å; F322-F330 PolarHBondContact O-N 2.88Å; H328-F330 HydrophobicContact CB-CE2 3.94Å; H328-F330 HydrophobicContact CB-CZ 3.84Å; F330-E335 HydrophobicContact CB-CB 4.26Å; F330-E335 HydrophobicContact CD1-CB 4.35Å; F330-L336 HydrophobicContact CB-CB 3.93Å; F330-L336 HydrophobicContact CD2-CB 3.46Å; F330-L336 VanDerWaalsContact CD2-CB 3.46Å; F330-L336 HydrophobicContact CD2-CD1 3.94Å; F330-L336 HydrophobicContact CD2-CG 3.68Å; F330-L336 HydrophobicContact CE2-CB 4.12Å; F330-L336 HydrophobicContact CE2-CG 4.05Å; F330-L336 HydrophobicContact CG-CB 3.74Å; F330-L336 HydrophobicContact CG-CG 4.46Å; F330-Y339 HydrophobicContact CE1-CD1 4.25Å; F330-Y339 HydrophobicContact CE1-CD2 4.06Å; F330-Y339 AromaticContact CE1-CG 3.7Å; F330-Y339 HydrophobicContact CE1-CG 3.7Å; F330-Y339 HydrophobicContact CE2-CD1 4.35Å; F330-Y339 AromaticContact CZ-CD1 3.5Å; F330-Y339 HydrophobicContact CZ-CD1 3.5Å; F330-Y339 VanDerWaalsContact CZ-CD1 3.5Å; F330-Y339 HydrophobicContact CZ-CD2 4.07Å; F330-Y339 HydrophobicContact CZ-CE1 4.15Å; F330-Y339 AromaticContact CZ-CG 3.44Å; F330-Y339 HydrophobicContact CZ-CG 3.44Å; F330-Y339 VanDerWaalsContact CZ-CG 3.44Å |
| 331 | N | 84.7 | Confident | 82.6 | Confident | 103 Ų | 103 | 59 Ų | 59 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -83.9 | -23.8 | -178.2 | -63.5 | -34.6 | 0 | 0 | 0 | 111.9 | Q321 E335 | Q321-N331 PolarHBondContact NE2-OD1 3.44Å; N331-E335 PolarHBondContact N-OE2 2.66Å; N331-E335 VanDerWaalsContact N-OE2 3.15Å |
| 332 | T | 84.4 | Confident | 81.9 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -135.1 | 153.9 | 176.6 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | E335 L336 | T332-E335 PolarHBondContact N-OE2 3.24Å; T332-E335 PolarHBondContact O-N 3.35Å; T332-E335 VanDerWaalsContact OG1-CG 3.32Å; T332-E335 WeakPolarHBondContact OG1-CG 3.4Å; T332-E335 PolarHBondContact OG1-N 3.22Å; T332-L336 PolarHBondContact O-N 3.39Å |
| 333 | I | 85.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 175.6 | -68.4 | 162.2 | 0 | 0 | 0 | 112.1 | L254 W259 Y293 I314 F322 E335 L336 I337 | L254-I333 HydrophobicContact CD1-CB 4.46Å; L254-I333 HydrophobicContact CD1-CD1 3.61Å; L254-I333 HydrophobicContact CD1-CG2 4.5Å; L254-I333 HydrophobicContact CD2-CB 4.04Å; L254-I333 HydrophobicContact CD2-CG2 4.33Å; W259-I333 HydrophobicContact CH2-CG2 3.81Å; W259-I333 HydrophobicContact CZ3-CG2 4.08Å; Y293-I333 HydrophobicContact CD2-CD1 3.25Å; Y293-I333 HydrophobicContact CE2-CD1 3.42Å; Y293-I333 VanDerWaalsContact CE2-CD1 3.42Å; Y293-I333 HydrophobicContact CG-CD1 3.96Å; I314-I333 HydrophobicContact CD1-CG1 4.36Å; I314-I333 HydrophobicContact CD1-CG2 3.9Å; I314-I333 HydrophobicContact CG2-CG1 4.43Å; F322-I333 HydrophobicContact CB-CG1 4.41Å; F322-I333 HydrophobicContact CD1-CD1 4.11Å; F322-I333 HydrophobicContact CD1-CG1 3.84Å; F322-I333 HydrophobicContact CD2-CG1 4.11Å; F322-I333 HydrophobicContact CE1-CD1 3.94Å; F322-I333 HydrophobicContact CE1-CG1 4.09Å; F322-I333 HydrophobicContact CE2-CG1 4.36Å; F322-I333 HydrophobicContact CG-CG1 3.84Å; F322-I333 HydrophobicContact CZ-CD1 4.26Å; F322-I333 HydrophobicContact CZ-CG1 4.34Å; I333-E335 VanDerWaalsContact C-N 3.34Å; I333-E335 PolarHBondContact O-N 2.95Å; I333-L336 WeakPolarHBondContact O-CB 3.45Å; I333-L336 PolarHBondContact O-N 3.12Å; I333-I337 HydrophobicContact CG2-CG1 4.19Å; I333-I337 WeakPolarHBondContact O-CG1 3.1Å; I333-I337 PolarHBondContact O-N 3.3Å |
| 334 | P | 86.6 | Confident | 80.7 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -39.7 | 174.3 | -27.9 | 37.3 | 0 | 0 | 0 | 114.2 | L254 F257 W259 L336 I337 N338 | L254-P334 HydrophobicContact CD2-CG 4.16Å; F257-P334 HydrophobicContact CD2-CG 4.09Å; F257-P334 HydrophobicContact CE1-CB 4.13Å; F257-P334 HydrophobicContact CE1-CG 4.15Å; F257-P334 HydrophobicContact CE2-CB 4.13Å; F257-P334 HydrophobicContact CE2-CG 3.27Å; F257-P334 HydrophobicContact CZ-CB 3.68Å; F257-P334 HydrophobicContact CZ-CG 3.29Å; W259-P334 HydrophobicContact CH2-CG 4.27Å; W259-P334 HydrophobicContact CZ2-CB 4.25Å; W259-P334 HydrophobicContact CZ2-CG 4.13Å; P334-L336 VanDerWaalsContact C-N 3.35Å; P334-I337 PolarHBondContact O-N 3.32Å; P334-N338 WeakPolarHBondContact O-CB 3.28Å; P334-N338 PolarHBondContact O-N 3.34Å |
| 335 | E | 84.3 | Confident | 80.4 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.8 | -75.1 | 167 | -172.2 | 0 | 0 | 111.8 | F330 N331 T332 I333 N338 Y339 | F330-E335 HydrophobicContact CB-CB 4.26Å; F330-E335 HydrophobicContact CD1-CB 4.35Å; N331-E335 PolarHBondContact N-OE2 2.66Å; N331-E335 VanDerWaalsContact N-OE2 3.15Å; T332-E335 PolarHBondContact N-OE2 3.24Å; T332-E335 PolarHBondContact O-N 3.35Å; T332-E335 VanDerWaalsContact OG1-CG 3.32Å; T332-E335 WeakPolarHBondContact OG1-CG 3.4Å; T332-E335 PolarHBondContact OG1-N 3.22Å; I333-E335 VanDerWaalsContact C-N 3.34Å; I333-E335 PolarHBondContact O-N 2.95Å; E335-N338 PolarHBondContact O-N 2.99Å; E335-Y339 PolarHBondContact O-N 3.03Å |
| 336 | L | 88.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.8 | 175 | 162.1 | 0 | 0 | 0 | 111.3 | I314 F322 L324 F330 T332 I333 P334 Y339 H340 | I314-L336 HydrophobicContact CD1-CD2 4.47Å; I314-L336 HydrophobicContact CG2-CD1 3.95Å; F322-L336 HydrophobicContact CB-CD1 3.85Å; L324-L336 HydrophobicContact CD1-CD2 3.42Å; L324-L336 VanDerWaalsContact CD1-CD2 3.42Å; L324-L336 HydrophobicContact CD1-CG 4.32Å; L324-L336 HydrophobicContact CG-CD1 4.17Å; L324-L336 HydrophobicContact CG-CD2 3.82Å; L324-L336 HydrophobicContact CG-CG 4.35Å; F330-L336 HydrophobicContact CB-CB 3.93Å; F330-L336 HydrophobicContact CD2-CB 3.46Å; F330-L336 VanDerWaalsContact CD2-CB 3.46Å; F330-L336 HydrophobicContact CD2-CD1 3.94Å; F330-L336 HydrophobicContact CD2-CG 3.68Å; F330-L336 HydrophobicContact CE2-CB 4.12Å; F330-L336 HydrophobicContact CE2-CG 4.05Å; F330-L336 HydrophobicContact CG-CB 3.74Å; F330-L336 HydrophobicContact CG-CG 4.46Å; T332-L336 PolarHBondContact O-N 3.39Å; I333-L336 WeakPolarHBondContact O-CB 3.45Å; I333-L336 PolarHBondContact O-N 3.12Å; P334-L336 VanDerWaalsContact C-N 3.35Å; L336-Y339 PolarHBondContact O-N 2.68Å; L336-H340 PolarHBondContact O-CD2 3.4Å; L336-H340 VanDerWaalsContact O-CD2 3.25Å; L336-H340 PolarHBondContact O-N 3.16Å; L336-H340 VanDerWaalsContact O-N 3.07Å |
| 337 | I | 88.1 | Confident | 80.9 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | 178.1 | -63.6 | -57.3 | 0 | 0 | 0 | 110.7 | W259 F282 I284 V295 I333 P334 Y339 H340 Q341 L351 | W259-I337 HydrophobicContact CH2-CG1 4.15Å; W259-I337 HydrophobicContact CZ2-CB 4.43Å; W259-I337 HydrophobicContact CZ2-CG1 4.22Å; W259-I337 HydrophobicContact CZ3-CG1 4.33Å; F282-I337 HydrophobicContact CE2-CG2 3.75Å; F282-I337 HydrophobicContact CZ-CG2 4.07Å; I284-I337 HydrophobicContact CD1-CD1 3.55Å; I284-I337 HydrophobicContact CD1-CG1 4Å; I284-I337 HydrophobicContact CG1-CD1 3.74Å; I284-I337 HydrophobicContact CG1-CG1 4.33Å; V295-I337 HydrophobicContact CG2-CD1 3.95Å; I333-I337 HydrophobicContact CG2-CG1 4.19Å; I333-I337 WeakPolarHBondContact O-CG1 3.1Å; I333-I337 PolarHBondContact O-N 3.3Å; P334-I337 PolarHBondContact O-N 3.32Å; I337-Y339 VanDerWaalsContact C-N 3.31Å; I337-Y339 PolarHBondContact O-N 2.95Å; I337-H340 CarbonylContact O-C 3.5Å; I337-H340 PolarHBondContact O-N 3.13Å; I337-H340 VanDerWaalsContact O-N 3.12Å; I337-Q341 HydrophobicContact CG2-CG 4.38Å; I337-Q341 WeakPolarHBondContact O-CG 3Å; I337-Q341 PolarHBondContact O-N 3.48Å; I337-L351 HydrophobicContact CD1-CD1 4Å; I337-L351 HydrophobicContact CG2-CD1 4.13Å |
| 338 | N | 81.4 | Confident | 81.3 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 177.7 | -177.7 | 51.6 | 0 | 0 | 0 | 112.1 | P334 E335 Q341 H342 | P334-N338 WeakPolarHBondContact O-CB 3.28Å; P334-N338 PolarHBondContact O-N 3.34Å; E335-N338 PolarHBondContact O-N 2.99Å; N338-Q341 PolarHBondContact O-N 3.24Å; N338-H342 PolarHBondContact O-ND1 2.86Å |
| 339 | Y | 83.6 | Confident | 81.3 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 174.8 | 178 | -91.5 | 0 | 0 | 0 | 112 | H328 F330 E335 L336 I337 Q341 H342 N343 A345 | H328-Y339 AromaticContact CD2-CZ 3.98Å; H328-Y339 PolarHBondContact CE1-OH 2.92Å; H328-Y339 PolarHBondContact NE2-OH 3.49Å; F330-Y339 HydrophobicContact CE1-CD1 4.25Å; F330-Y339 HydrophobicContact CE1-CD2 4.06Å; F330-Y339 AromaticContact CE1-CG 3.7Å; F330-Y339 HydrophobicContact CE1-CG 3.7Å; F330-Y339 HydrophobicContact CE2-CD1 4.35Å; F330-Y339 AromaticContact CZ-CD1 3.5Å; F330-Y339 HydrophobicContact CZ-CD1 3.5Å; F330-Y339 VanDerWaalsContact CZ-CD1 3.5Å; F330-Y339 HydrophobicContact CZ-CD2 4.07Å; F330-Y339 HydrophobicContact CZ-CE1 4.15Å; F330-Y339 AromaticContact CZ-CG 3.44Å; F330-Y339 HydrophobicContact CZ-CG 3.44Å; F330-Y339 VanDerWaalsContact CZ-CG 3.44Å; E335-Y339 PolarHBondContact O-N 3.03Å; L336-Y339 PolarHBondContact O-N 2.68Å; I337-Y339 VanDerWaalsContact C-N 3.31Å; I337-Y339 PolarHBondContact O-N 2.95Å; Y339-Q341 VanDerWaalsContact C-N 3.31Å; Y339-Q341 PolarHBondContact O-N 3.1Å; Y339-H342 PolarHBondContact O-N 3.46Å; Y339-N343 HydrophobicContact CD1-CB 4.4Å; Y339-N343 HydrophobicContact CE1-CB 3.94Å; Y339-N343 PolarHBondContact O-N 2.79Å; Y339-N343 PolarHBondContact O-ND2 2.87Å; Y339-N343 VanDerWaalsContact O-ND2 3.16Å; Y339-A345 HydrophobicContact CE1-CB 3.66Å |
| 340 | H | 81.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -76.7 | -13.6 | -178.3 | -77.2 | -73 | 0 | 0 | 0 | 114.6 | L336 I337 H342 N343 M347 L351 | L336-H340 PolarHBondContact O-CD2 3.4Å; L336-H340 VanDerWaalsContact O-CD2 3.25Å; L336-H340 PolarHBondContact O-N 3.16Å; L336-H340 VanDerWaalsContact O-N 3.07Å; I337-H340 CarbonylContact O-C 3.5Å; I337-H340 PolarHBondContact O-N 3.13Å; I337-H340 VanDerWaalsContact O-N 3.12Å; H340-H342 VanDerWaalsContact C-N 3.32Å; H340-N343 CarbonylContact C-O 3.6Å; H340-N343 VanDerWaalsContact CA-O 3.27Å; H340-N343 WeakPolarHBondContact CA-O 3.48Å; H340-N343 PolarHBondContact ND1-O 3.05Å; H340-M347 HydrophobicContact CB-SD 4.21Å; H340-M347 PolarHBondContact ND1-SD 2.95Å; H340-L351 HydrophobicContact CB-CD1 3.73Å; H340-L351 HydrophobicContact CB-CG 4.02Å; H340-L351 PolarHBondContact O-N 3.35Å |
| 341 | Q | 79.8 | Confident | 81 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.3 | -34.7 | 165.9 | -75.8 | 176 | -37 | 0 | 0 | 112.1 | F282 I337 N338 Y339 L351 | F282-Q341 HydrophobicContact CE1-CG 4.46Å; F282-Q341 HydrophobicContact CZ-CG 4.24Å; I337-Q341 HydrophobicContact CG2-CG 4.38Å; I337-Q341 WeakPolarHBondContact O-CG 3Å; I337-Q341 PolarHBondContact O-N 3.48Å; N338-Q341 PolarHBondContact O-N 3.24Å; Y339-Q341 VanDerWaalsContact C-N 3.31Å; Y339-Q341 PolarHBondContact O-N 3.1Å; Q341-L351 VanDerWaalsContact CA-O 3.23Å; Q341-L351 WeakPolarHBondContact CA-O 3.44Å; Q341-L351 HydrophobicContact CB-CB 4.46Å; Q341-L351 HydrophobicContact CG-CB 3.8Å |
| 342 | H | 74.1 | Confident | 80.7 | Confident | 122 Ų | 122 | 49.9 Ų | 49.9 | 57% | 0.565 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -92.1 | -31.1 | -179.2 | -63.9 | 83.4 | 0 | 0 | 0 | 112.4 | N338 Y339 H340 | N338-H342 PolarHBondContact O-ND1 2.86Å; Y339-H342 PolarHBondContact O-N 3.46Å; H340-H342 VanDerWaalsContact C-N 3.32Å |
| 343 | N | 75.8 | Confident | 80.4 | Confident | 71 Ų | 71 | 51.3 Ų | 51.3 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | trans | -129.6 | 129.3 | -172.5 | -55 | -78.9 | 0 | 0 | 0 | 112 | Y339 H340 A345 | Y339-N343 HydrophobicContact CD1-CB 4.4Å; Y339-N343 HydrophobicContact CE1-CB 3.94Å; Y339-N343 PolarHBondContact O-N 2.79Å; Y339-N343 PolarHBondContact O-ND2 2.87Å; Y339-N343 VanDerWaalsContact O-ND2 3.16Å; H340-N343 CarbonylContact C-O 3.6Å; H340-N343 VanDerWaalsContact CA-O 3.27Å; H340-N343 WeakPolarHBondContact CA-O 3.48Å; H340-N343 PolarHBondContact ND1-O 3.05Å; N343-A345 HydrophobicContact CB-CB 4.39Å | ||
| 344 | A | 71.6 | Confident | 80.1 | Confident | 37 Ų | 37 | 54.7 Ų | 54.7 | 31% | 0.306 | 30% | 0.295 | S | S | . | . | trans | -68.7 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | G346 M347 R350 | A344-G346 PolarHBondContact O-N 2.71Å; A344-M347 VanDerWaalsContact O-CB 3.3Å; A344-M347 WeakPolarHBondContact O-CB 3.22Å; A344-M347 WeakPolarHBondContact O-CG 3.39Å; A344-M347 PolarHBondContact O-N 2.71Å; A344-R350 HydrophobicContact CB-CB 4.42Å | ||
| 345 | A | 74.6 | Confident | 79.8 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.4 | 40.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A325 Y339 N343 | A325-A345 VanDerWaalsContact CB-O 3.29Å; A325-A345 WeakPolarHBondContact CB-O 3.33Å; Y339-A345 HydrophobicContact CE1-CB 3.66Å; N343-A345 HydrophobicContact CB-CB 4.39Å |
| 346 | G | 70.2 | Confident | 79.1 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 79% | 0.794 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.2 | -6.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A344 | A344-G346 PolarHBondContact O-N 2.71Š|
| 347 | M | 79.9 | Confident | 78 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -81.8 | 159.5 | 170.7 | -60.9 | 178.6 | 62.1 | 0 | 0 | 111.6 | V295 L297 Y312 L324 H340 A344 S349 L351 | V295-M347 HydrophobicContact CG1-CE 4.4Å; L297-M347 HydrophobicContact CD2-CE 3.78Å; Y312-M347 HydrophobicContact CD1-CG 4.44Å; Y312-M347 HydrophobicContact CD2-CE 3.66Å; Y312-M347 HydrophobicContact CE1-CB 4.47Å; Y312-M347 HydrophobicContact CE1-CG 4.22Å; Y312-M347 HydrophobicContact CE2-CE 3.76Å; Y312-M347 HydrophobicContact CG-CE 4.21Å; L324-M347 HydrophobicContact CD1-SD 3.96Å; H340-M347 HydrophobicContact CB-SD 4.21Å; H340-M347 PolarHBondContact ND1-SD 2.95Å; A344-M347 VanDerWaalsContact O-CB 3.3Å; A344-M347 WeakPolarHBondContact O-CB 3.22Å; A344-M347 WeakPolarHBondContact O-CG 3.39Å; A344-M347 PolarHBondContact O-N 2.71Å; M347-S349 PolarHBondContact O-N 3.15Å; M347-L351 HydrophobicContact CE-CD2 3.76Å |
| 348 | V | 78.1 | Confident | 76.5 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 42% | 0.418 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -64.6 | -26.1 | -178.3 | 71.2 | 0 | 0 | 0 | 0 | 113 | L297 T299 R310 Y312 | L297-V348 HydrophobicContact CD2-CG1 3.72Å; L297-V348 HydrophobicContact CG-CG1 4.35Å; T299-V348 HydrophobicContact CG2-CB 4.44Å; T299-V348 HydrophobicContact CG2-CG1 3.82Å; T299-V348 HydrophobicContact CG2-CG2 3.73Å; R310-V348 HydrophobicContact CB-CG1 4.27Å; R310-V348 HydrophobicContact CG-CB 4.46Å; R310-V348 HydrophobicContact CG-CG1 3.89Å; Y312-V348 WeakPolarHBondContact OH-CB 3.38Å; Y312-V348 WeakPolarHBondContact OH-CG1 3.34Å; Y312-V348 PolarHBondContact OH-N 2.77Å |
| 349 | S | 80.7 | Confident | 74.9 | Confident | 13 Ų | 13 | 58 Ų | 58 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -154.1 | 157.9 | 170.3 | 172.5 | 0 | 0 | 0 | 0 | 108.4 | L297 M347 K352 | L297-S349 WeakPolarHBondContact CD2-O 3.23Å; M347-S349 PolarHBondContact O-N 3.15Å; S349-K352 WeakPolarHBondContact OG-CE 3.22Å |
| 350 | R | 82.6 | Confident | 72.7 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | trans | -63.8 | 157 | 162.5 | 72.1 | -178.2 | -175.8 | -177.9 | -0.4 | 110.6 | A344 K352 | A344-R350 HydrophobicContact CB-CB 4.42Å; R350-K352 HydrophobicContact CG-CG 3.81Å; R350-K352 PolarHBondContact O-N 2.85Å | ||
| 351 | L | 85 | Confident | 70.5 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | trans | -76.9 | 109.9 | 177.3 | -54.4 | 180 | 0 | 0 | 0 | 109.3 | F282 V295 L297 I337 H340 Q341 M347 | F282-L351 HydrophobicContact CB-CD2 3.68Å; F282-L351 HydrophobicContact CD1-CB 3.6Å; F282-L351 HydrophobicContact CD1-CD2 4.29Å; F282-L351 HydrophobicContact CD1-CG 4.41Å; F282-L351 HydrophobicContact CD2-CB 4.19Å; F282-L351 HydrophobicContact CD2-CD1 3.91Å; F282-L351 HydrophobicContact CD2-CD2 4.01Å; F282-L351 HydrophobicContact CD2-CG 4.26Å; F282-L351 HydrophobicContact CE1-CB 3.7Å; F282-L351 HydrophobicContact CE2-CB 4.29Å; F282-L351 HydrophobicContact CE2-CD1 3.97Å; F282-L351 HydrophobicContact CG-CB 3.86Å; F282-L351 HydrophobicContact CG-CD1 4.33Å; F282-L351 HydrophobicContact CG-CD2 3.73Å; F282-L351 HydrophobicContact CG-CG 4.17Å; F282-L351 HydrophobicContact CZ-CB 4.06Å; F282-L351 HydrophobicContact CZ-CD1 4.44Å; V295-L351 HydrophobicContact CG1-CD2 4.03Å; L297-L351 HydrophobicContact CD1-CD2 4.01Å; L297-L351 HydrophobicContact CD2-CD2 4.38Å; I337-L351 HydrophobicContact CD1-CD1 4Å; I337-L351 HydrophobicContact CG2-CD1 4.13Å; H340-L351 HydrophobicContact CB-CD1 3.73Å; H340-L351 HydrophobicContact CB-CG 4.02Å; H340-L351 PolarHBondContact O-N 3.35Å; Q341-L351 VanDerWaalsContact CA-O 3.23Å; Q341-L351 WeakPolarHBondContact CA-O 3.44Å; Q341-L351 HydrophobicContact CB-CB 4.46Å; Q341-L351 HydrophobicContact CG-CB 3.8Å; M347-L351 HydrophobicContact CE-CD2 3.76Å | ||
| 352 | K | 77.6 | Confident | 68.7 | Low | 85 Ų | 85 | 68.5 Ų | 68.5 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | trans | -106.5 | -46.3 | -171.2 | -61.9 | 178.2 | -167.9 | 168.1 | 0 | 113 | D279 G280 S349 R350 | D279-K352 IonicContact OD2-NZ 2.77Å; D279-K352 PolarHBondContact OD2-NZ 2.91Å; G280-K352 PolarHBondContact O-N 3.37Å; S349-K352 WeakPolarHBondContact OG-CE 3.22Å; R350-K352 HydrophobicContact CG-CG 3.81Å; R350-K352 PolarHBondContact O-N 2.85Å | ||
| 353 | H | 78.5 | Confident | 67.2 | Low | 88 Ų | 88 | 64.5 Ų | 64.5 | 41% | 0.407 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.6 | -170.7 | -58 | -68.2 | 0 | 0 | 0 | 110.5 | K278 D279 G280 G281 F282 | K278-H353 HydrophobicContact CB-CB 4.25Å; K278-H353 HydrophobicContact CD-CB 4.18Å; D279-H353 PolarHBondContact O-CD2 3.3Å; D279-H353 VanDerWaalsContact O-CD2 3.29Å; G280-H353 PolarHBondContact O-N 3.04Å; G281-H353 CarbonylContact C-O 3.46Å; G281-H353 VanDerWaalsContact CA-O 3.26Å; G281-H353 WeakPolarHBondContact CA-O 3.28Å; F282-H353 WeakPolarHBondContact CD1-O 3.27Å; F282-H353 PolarHBondContact N-O 3.39Å |
| 354 | I | 79.8 | Confident | 65.8 | Low | 77 Ų | 77 | 62.1 Ų | 62.1 | 40% | 0.395 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132 | 174.6 | -62.7 | 170.6 | 0 | 0 | 0 | 108.4 | D258 W259 F282 | D258-I354 HydrophobicContact CB-CG2 4.19Å; W259-I354 HydrophobicContact CB-CG1 4.34Å; W259-I354 HydrophobicContact CB-CG2 3.88Å; F282-I354 HydrophobicContact CE1-CG1 3.84Å; F282-I354 HydrophobicContact CZ-CG1 3.77Å |
| 355 | V | 79.7 | Confident | 64.4 | Low | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | trans | -116.9 | 122.2 | 171.4 | 173.3 | 0 | 0 | 0 | 0 | 107.3 | L272 L273 E276 F282 L283 | L272-V355 HydrophobicContact CD1-CG1 4.47Å; L272-V355 HydrophobicContact CD2-CG1 3.91Å; L272-V355 HydrophobicContact CG-CG1 3.6Å; L273-V355 HydrophobicContact CD2-CB 3.87Å; L273-V355 HydrophobicContact CD2-CG1 4.14Å; L273-V355 HydrophobicContact CD2-CG2 3.84Å; E276-V355 HydrophobicContact CB-CG1 4.49Å; E276-V355 HydrophobicContact CB-CG2 4.03Å; E276-V355 HydrophobicContact CG-CG1 3.94Å; E276-V355 HydrophobicContact CG-CG2 4.07Å; F282-V355 PolarHBondContact O-N 2.89Å; L283-V355 VanDerWaalsContact CB-O 3.3Å; L283-V355 WeakPolarHBondContact CB-O 3.3Å; L283-V355 HydrophobicContact CD2-CG1 4.27Å | ||
| 356 | S | 70.6 | Confident | 63.4 | Low | 36 Ų | 36 | 59.1 Ų | 59.1 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | trans | -125.8 | 153.1 | -174 | -166.8 | 0 | 0 | 0 | 0 | 110.6 | D258 R358 | D258-S356 WeakPolarHBondContact O-CB 3.39Å; D258-S356 PolarHBondContact O-OG 2.84Å; S356-R358 VanDerWaalsContact C-N 3.32Å; S356-R358 WeakPolarHBondContact OG-CG 3.31Å; S356-R358 PolarHBondContact OG-N 3.06Å | ||
| 357 | N | 63.7 | Low | 62.6 | Low | 98 Ų | 98 | 55.8 Ų | 55.8 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | trans | -90.5 | 3.3 | 170.3 | 76.6 | -25.1 | 0 | 0 | 0 | 112.8 | M264 L272 A359 | M264-N357 HydrophobicContact CE-CB 3.69Å; L272-N357 HydrophobicContact CD2-CB 4.31Å; N357-A359 PolarHBondContact O-N 2.57Å | ||
| 358 | R | 58.3 | Low | 61.2 | Low | 79 Ų | 79 | 55.2 Ų | 55.2 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 118.5 | 177 | -68.8 | -179.9 | 173.1 | -173.5 | -14.4 | 109.1 | E251 E255 D258 S356 | E251-R358 IonicContact OE1-NH2 3.57Å; E251-R358 IonicContact OE2-NH2 2.73Å; E251-R358 PolarHBondContact OE2-NH2 3.39Å; E255-R358 PolarHBondContact O-NH2 3.11Å; D258-R358 IonicContact OD1-CZ 2.69Å; D258-R358 IonicContact OD1-NH1 2.96Å; D258-R358 PolarHBondContact OD1-NH1 2.81Å; S356-R358 VanDerWaalsContact C-N 3.32Å; S356-R358 WeakPolarHBondContact OG-CG 3.31Å; S356-R358 PolarHBondContact OG-N 3.06Å |
| 359 | A | 46 | Very low | 59.5 | Low | 65 Ų | 65 | 55.5 Ų | 55.5 | 54% | 0.537 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 151.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y201 N357 | Y201-A359 PolarHBondContact OH-O 2.97Å; N357-A359 PolarHBondContact O-N 2.57Å |
| 360 | R | 37.8 | Very low | 58 | Low | 194 Ų | 194 | 58.1 Ų | 58.1 | 73% | 0.732 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 154.8 | 166.4 | -76.7 | -178.3 | -175.9 | 166.9 | 5.7 | 109.6 | N510 | R360-N510 PolarHBondContact NH1-OD1 2.98Š|
| 361 | P | 36.4 | Very low | 56.9 | Low | 72 Ų | 72 | 54.8 Ų | 54.8 | 47% | 0.468 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 128.2 | -171.6 | 17.9 | -30.4 | 0 | 0 | 0 | 111.3 | Y201 | Y201-P361 HydrophobicContact CD1-CB 3.75Å; Y201-P361 HydrophobicContact CD1-CG 4.08Å; Y201-P361 HydrophobicContact CD2-CB 4.33Å; Y201-P361 HydrophobicContact CE1-CB 3.67Å; Y201-P361 HydrophobicContact CE1-CG 4.05Å; Y201-P361 HydrophobicContact CE2-CB 4.3Å; Y201-P361 HydrophobicContact CG-CB 4.09Å |
| 362 | P | 41 | Very low | 56.2 | Low | 70 Ų | 70 | 57.9 Ų | 57.9 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.9 | 168.7 | 24.8 | -29.8 | 0 | 0 | 0 | 109.9 | T364 | P362-T364 PolarHBondContact O-N 3.33Š|
| 363 | S | 42.9 | Very low | 56.2 | Low | 37 Ų | 37 | 55.9 Ų | 55.9 | 26% | 0.259 | 31% | 0.307 | S | S | . | . | trans | -41.6 | 132.6 | 171.9 | -70.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 364 | T | 47.4 | Very low | 56.3 | Low | 22 Ų | 22 | 52 Ų | 52 | 14% | 0.135 | 29% | 0.289 | C | S | . | . | trans | -51.7 | 147.9 | -179.3 | 46.8 | 0 | 0 | 0 | 0 | 112 | M206 Y246 P362 G366 | M206-T364 HydrophobicContact CE-CG2 4.07Å; Y246-T364 HydrophobicContact CE2-CG2 3.9Å; Y246-T364 WeakPolarHBondContact OH-CG2 3.06Å; P362-T364 PolarHBondContact O-N 3.33Å; T364-G366 PolarHBondContact O-N 3.1Å | ||
| 365 | A | 42.2 | Very low | 56.3 | Low | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -65.3 | 49.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | N228 W229 R430 | N228-A365 HydrophobicContact CB-CB 4.33Å; W229-A365 PolarHBondContact NE1-O 3.15Å; A365-R430 VanDerWaalsContact CA-CZ 3.5Å; A365-R430 VanDerWaalsContact CA-NH2 3.29Å; A365-R430 PolarHBondContact O-NH2 2.97Å; A365-R430 VanDerWaalsContact O-NH2 3.07Å |
| 366 | G | 52.5 | Low | 56.5 | Low | 5 Ų | 5 | 51.3 Ų | 51.3 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 76.7 | -167.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | T364 G368 | T364-G366 PolarHBondContact O-N 3.1Å; G366-G368 VanDerWaalsContact C-N 3.31Å; G366-G368 PolarHBondContact O-N 3.15Å |
| 367 | L | 53.7 | Low | 57.2 | Low | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -87.2 | 19.9 | -161 | -44.8 | 156.2 | 0 | 0 | 0 | 114.4 | V371 I374 W398 Y438 | L367-V371 HydrophobicContact CB-CB 4.16Å; L367-V371 HydrophobicContact CB-CG1 4.04Å; L367-V371 HydrophobicContact CD1-CG1 4.02Å; L367-I374 HydrophobicContact CD1-CB 4.5Å; L367-I374 HydrophobicContact CD1-CD1 3.89Å; L367-I374 HydrophobicContact CD1-CG1 3.21Å; L367-I374 HydrophobicContact CD2-CD1 3.81Å; L367-I374 HydrophobicContact CD2-CG1 3.81Å; L367-I374 HydrophobicContact CG-CD1 4.48Å; L367-I374 HydrophobicContact CG-CG1 4.16Å; L367-W398 HydrophobicContact CB-CH2 3.67Å; L367-W398 HydrophobicContact CB-CZ2 3.94Å; L367-W398 HydrophobicContact CD2-CD2 3.95Å; L367-W398 HydrophobicContact CD2-CE3 3.79Å; L367-W398 HydrophobicContact CD2-CH2 3.14Å; L367-W398 HydrophobicContact CD2-CZ2 3.28Å; L367-W398 HydrophobicContact CD2-CZ3 3.39Å; L367-W398 HydrophobicContact CG-CH2 3.97Å; L367-W398 HydrophobicContact CG-CZ2 4.12Å; L367-Y438 WeakPolarHBondContact CG-O 3.36Å |
| 368 | G | 50.2 | Low | 58.2 | Low | 3 Ų | 3 | 57.7 Ų | 57.7 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 111.2 | 159.5 | -161 | 0 | 0 | 0 | 0 | 0 | 112.5 | W229 G366 G370 V371 | W229-G368 VanDerWaalsContact CH2-CA 3.47Å; W229-G368 VanDerWaalsContact CZ2-C 3.46Å; G366-G368 VanDerWaalsContact C-N 3.31Å; G366-G368 PolarHBondContact O-N 3.15Å; G368-G370 PolarHBondContact O-N 2.67Å; G368-V371 PolarHBondContact O-N 3.04Å |
| 369 | Y | 42.8 | Very low | 59.7 | Low | 76 Ų | 76 | 54.5 Ų | 54.5 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 123.9 | 179.1 | 179 | -117.3 | 0 | 0 | 0 | 111.6 | D226 W229 Y241 V371 | D226-Y369 HydrophobicContact CB-CD2 4.32Å; D226-Y369 HydrophobicContact CB-CE2 3.56Å; D226-Y369 WeakPolarHBondContact OD2-CE2 3.48Å; W229-Y369 HydrophobicContact CB-CD2 3.48Å; W229-Y369 VanDerWaalsContact CB-CD2 3.48Å; W229-Y369 HydrophobicContact CB-CE2 4.32Å; W229-Y369 HydrophobicContact CB-CG 4Å; W229-Y369 AromaticContact CD1-CD2 3.92Å; W229-Y369 AromaticContact CG-CD2 3.77Å; W229-Y369 HydrophobicContact CG-CD2 3.77Å; W229-Y369 HydrophobicContact CG-CG 4.17Å; Y241-Y369 HydrophobicContact CD1-CD1 4.27Å; Y241-Y369 HydrophobicContact CD1-CG 4.33Å; Y241-Y369 HydrophobicContact CD2-CD1 4.39Å; Y241-Y369 HydrophobicContact CE1-CD1 4.14Å; Y241-Y369 HydrophobicContact CE1-CE1 4.2Å; Y241-Y369 HydrophobicContact CE2-CD1 4.26Å; Y241-Y369 HydrophobicContact CG-CD1 4.39Å; Y241-Y369 HydrophobicContact CG-CG 4.45Å; Y369-V371 VanDerWaalsContact C-N 3.27Å; Y369-V371 PolarHBondContact O-N 2.64Å |
| 370 | G | 49.8 | Very low | 61.9 | Low | 67 Ų | 67 | 54.9 Ų | 54.9 | 69% | 0.691 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 0.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | G368 | G368-G370 PolarHBondContact O-N 2.67Š|
| 371 | V | 59.5 | Low | 64.5 | Low | 60 Ų | 60 | 49.3 Ų | 49.3 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | trans | -94.4 | 109.1 | 179.6 | -173 | 0 | 0 | 0 | 0 | 109.8 | T207 L367 G368 Y369 | T207-V371 HydrophobicContact CG2-CG2 4.35Å; L367-V371 HydrophobicContact CB-CB 4.16Å; L367-V371 HydrophobicContact CB-CG1 4.04Å; L367-V371 HydrophobicContact CD1-CG1 4.02Å; G368-V371 PolarHBondContact O-N 3.04Å; Y369-V371 VanDerWaalsContact C-N 3.27Å; Y369-V371 PolarHBondContact O-N 2.64Å | ||
| 372 | W | 70.1 | Confident | 67.1 | Low | 67 Ų | 67 | 50.1 Ų | 50.1 | 25% | 0.254 | 27% | 0.268 | S | S | . | . | trans | -112.4 | -18.1 | 177.9 | 60.8 | -86.8 | 0 | 0 | 0 | 113.3 | I420 K424 M427 G439 V440 | W372-I420 HydrophobicContact CH2-CG1 4.46Å; W372-I420 HydrophobicContact CH2-CG2 3.75Å; W372-I420 HydrophobicContact CZ2-CG2 4.49Å; W372-I420 HydrophobicContact CZ3-CG1 4.37Å; W372-I420 HydrophobicContact CZ3-CG2 3.92Å; W372-K424 HydrophobicContact CD2-CG 4.5Å; W372-M427 HydrophobicContact CB-CE 3.65Å; W372-M427 HydrophobicContact CB-SD 3.39Å; W372-M427 WeakPolarHBondContact CB-SD 3.44Å; W372-G439 WeakPolarHBondContact O-CA 3.19Å; W372-V440 HydrophobicContact CE3-CG2 3.66Å; W372-V440 HydrophobicContact CZ3-CG2 3.75Å; W372-V440 PolarHBondContact O-N 3.49Å | ||
| 373 | E | 76.4 | Confident | 69.6 | Low | 44 Ų | 44 | 53.3 Ų | 53.3 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -104.3 | 120.6 | -176.7 | -166.1 | 174.2 | -156.9 | 0 | 0 | 110 | V440 T442 K443 | E373-V440 CarbonylContact C-O 3.53Å; E373-V440 VanDerWaalsContact CA-O 3.28Å; E373-V440 WeakPolarHBondContact CA-O 3.23Å; E373-T442 PolarHBondContact OE1-OG1 3.36Å; E373-K443 VanDerWaalsContact CD-CE 3.42Å; E373-K443 WeakPolarHBondContact OE1-CD 3.29Å; E373-K443 WeakPolarHBondContact OE1-CE 3.45Å; E373-K443 VanDerWaalsContact OE1-CG 3.24Å; E373-K443 WeakPolarHBondContact OE1-CG 3.27Å; E373-K443 PolarHBondContact OE1-N 2.91Å; E373-K443 IonicContact OE1-NZ 3.75Å; E373-K443 WeakPolarHBondContact OE2-CE 3.47Å; E373-K443 IonicContact OE2-NZ 2.68Å; E373-K443 PolarHBondContact OE2-NZ 3.33Å |
| 374 | I | 81 | Confident | 72 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | trans | -92.3 | 133.3 | 179 | -63.4 | 165.8 | 0 | 0 | 0 | 108.6 | L367 P376 L379 V440 C441 V450 | L367-I374 HydrophobicContact CD1-CB 4.5Å; L367-I374 HydrophobicContact CD1-CD1 3.89Å; L367-I374 HydrophobicContact CD1-CG1 3.21Å; L367-I374 HydrophobicContact CD2-CD1 3.81Å; L367-I374 HydrophobicContact CD2-CG1 3.81Å; L367-I374 HydrophobicContact CG-CD1 4.48Å; L367-I374 HydrophobicContact CG-CG1 4.16Å; I374-P376 WeakPolarHBondContact O-CD 3.31Å; I374-L379 HydrophobicContact CG2-CD1 4.13Å; I374-L379 HydrophobicContact CG2-CD2 4.14Å; I374-L379 HydrophobicContact CG2-CG 3.94Å; I374-V440 PolarHBondContact N-O 3.04Å; I374-C441 PolarHBondContact O-SG 3.44Å; I374-V450 HydrophobicContact CD1-CB 3.49Å; I374-V450 VanDerWaalsContact CD1-CB 3.49Å; I374-V450 HydrophobicContact CD1-CG1 3.91Å; I374-V450 HydrophobicContact CD1-CG2 3.52Å | ||
| 375 | D | 81.1 | Confident | 73.9 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | trans | -70.5 | 123.1 | 168.8 | -164.4 | -49.4 | 0 | 0 | 0 | 109.3 | R377 D378 | D375-R377 PolarHBondContact O-N 2.72Å; D375-R377 VanDerWaalsContact OD1-CB 3.26Å; D375-R377 WeakPolarHBondContact OD1-CB 3.35Å; D375-R377 VanDerWaalsContact OD1-CG 3.27Å; D375-R377 WeakPolarHBondContact OD1-CG 3.49Å; D375-R377 IonicContact OD1-CZ 3.7Å; D375-R377 PolarHBondContact OD1-N 3.44Å; D375-R377 IonicContact OD1-NE 3.7Å; D375-R377 PolarHBondContact OD1-NE 2.76Å; D375-R377 IonicContact OD1-NH2 3.15Å; D375-R377 IonicContact OD2-CZ 3.37Å; D375-R377 VanDerWaalsContact OD2-CZ 3.29Å; D375-R377 IonicContact OD2-NE 2.82Å; D375-R377 PolarHBondContact OD2-NE 2.91Å; D375-R377 VanDerWaalsContact OD2-NE 3.13Å; D375-R377 IonicContact OD2-NH2 3Å; D375-R377 PolarHBondContact OD2-NH2 2.76Å; D375-D378 WeakPolarHBondContact O-CB 3.49Å; D375-D378 PolarHBondContact O-N 2.69Å | ||
| 376 | P | 83.9 | Confident | 75.8 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -54 | -25.3 | 177.5 | -26 | 33.4 | 0 | 0 | 0 | 114.2 | I374 D378 L379 C441 Q444 Y448 | I374-P376 WeakPolarHBondContact O-CD 3.31Å; P376-D378 PolarHBondContact O-N 2.82Å; P376-L379 PolarHBondContact O-N 2.9Å; P376-L379 VanDerWaalsContact O-N 3.11Å; P376-C441 HydrophobicContact CG-CB 4.12Å; P376-Q444 VanDerWaalsContact CB-OE1 3.26Å; P376-Q444 HydrophobicContact CG-CB 3.82Å; P376-Y448 HydrophobicContact CB-CE2 4.36Å |
| 377 | R | 84.3 | Confident | 77 | Confident | 206 Ų | 206 | 65.6 Ų | 65.6 | 78% | 0.777 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -67.6 | -23 | 177.7 | -63 | 175.7 | -68.2 | 167.9 | 2 | 113 | D375 | D375-R377 PolarHBondContact O-N 2.72Å; D375-R377 VanDerWaalsContact OD1-CB 3.26Å; D375-R377 WeakPolarHBondContact OD1-CB 3.35Å; D375-R377 VanDerWaalsContact OD1-CG 3.27Å; D375-R377 WeakPolarHBondContact OD1-CG 3.49Å; D375-R377 IonicContact OD1-CZ 3.7Å; D375-R377 PolarHBondContact OD1-N 3.44Å; D375-R377 IonicContact OD1-NE 3.7Å; D375-R377 PolarHBondContact OD1-NE 2.76Å; D375-R377 IonicContact OD1-NH2 3.15Å; D375-R377 IonicContact OD2-CZ 3.37Å; D375-R377 VanDerWaalsContact OD2-CZ 3.29Å; D375-R377 IonicContact OD2-NE 2.82Å; D375-R377 PolarHBondContact OD2-NE 2.91Å; D375-R377 VanDerWaalsContact OD2-NE 3.13Å; D375-R377 IonicContact OD2-NH2 3Å; D375-R377 PolarHBondContact OD2-NH2 2.76Å |
| 378 | D | 84.4 | Confident | 77.6 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 34% | 0.337 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -81.6 | -6.9 | 175.4 | -60.4 | -25.1 | 0 | 0 | 0 | 111.9 | D375 P376 W398 Q399 | D375-D378 WeakPolarHBondContact O-CB 3.49Å; D375-D378 PolarHBondContact O-N 2.69Å; P376-D378 PolarHBondContact O-N 2.82Å; D378-W398 CarbonylContact O-C 3.56Å; D378-W398 WeakPolarHBondContact O-CA 3.33Å; D378-Q399 HydrophobicContact CB-CG 4.13Å; D378-Q399 PolarHBondContact O-N 2.69Å |
| 379 | L | 89.4 | Confident | 78.2 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.3 | -180 | -63.7 | 176.1 | 0 | 0 | 0 | 111.3 | I374 P376 F381 W398 V404 I406 C441 Y448 V450 | I374-L379 HydrophobicContact CG2-CD1 4.13Å; I374-L379 HydrophobicContact CG2-CD2 4.14Å; I374-L379 HydrophobicContact CG2-CG 3.94Å; P376-L379 PolarHBondContact O-N 2.9Å; P376-L379 VanDerWaalsContact O-N 3.11Å; L379-F381 HydrophobicContact CB-CE2 4.42Å; L379-W398 HydrophobicContact CD2-CB 3.92Å; L379-W398 HydrophobicContact CD2-CG 4.15Å; L379-V404 HydrophobicContact CD2-CG2 4.28Å; L379-I406 HydrophobicContact CB-CD1 4.17Å; L379-I406 HydrophobicContact CD1-CD1 4.36Å; L379-I406 HydrophobicContact CD1-CG2 4.39Å; L379-I406 HydrophobicContact CD2-CD1 4.15Å; L379-I406 HydrophobicContact CD2-CG1 4.46Å; L379-I406 HydrophobicContact CG-CD1 4.48Å; L379-C441 VanDerWaalsContact CD1-SG 3.56Å; L379-Y448 HydrophobicContact CD1-CD2 4.29Å; L379-V450 HydrophobicContact CD1-CG2 3.81Å; L379-V450 HydrophobicContact CD2-CG1 4.31Å; L379-V450 HydrophobicContact CD2-CG2 4.22Å |
| 380 | T | 92.1 | Very high | 79.1 | Confident | 73 Ų | 73 | 72 Ų | 72 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.7 | 170.6 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | I382 G396 K397 | T380-I382 HydrophobicContact CG2-CG1 4.3Å; T380-G396 CarbonylContact O-C 3.57Å; T380-G396 WeakPolarHBondContact O-CA 3.4Å; T380-K397 PolarHBondContact N-O 2.75Å; T380-K397 PolarHBondContact O-N 3.05Å |
| 381 | F | 92.6 | Very high | 80.3 | Confident | 77 Ų | 77 | 68.9 Ų | 68.9 | 34% | 0.338 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 125.3 | 177 | -60.2 | -93.3 | 0 | 0 | 0 | 110.1 | L379 K394 I406 Y448 | L379-F381 HydrophobicContact CB-CE2 4.42Å; F381-K394 HydrophobicContact CB-CD 4.44Å; F381-K394 HydrophobicContact CD1-CB 4.24Å; F381-K394 HydrophobicContact CD1-CD 3.79Å; F381-I406 HydrophobicContact CD1-CD1 3.95Å; F381-I406 HydrophobicContact CE1-CB 4.22Å; F381-I406 HydrophobicContact CE1-CD1 3.93Å; F381-I406 HydrophobicContact CE1-CG2 3.67Å; F381-I406 HydrophobicContact CZ-CD1 4.47Å; F381-I406 HydrophobicContact CZ-CG2 4.29Å; F381-Y448 HydrophobicContact CZ-CD2 4.33Å; F381-Y448 HydrophobicContact CZ-CE1 4.44Å; F381-Y448 AromaticContact CZ-CE2 3.87Å; F381-Y448 HydrophobicContact CZ-CE2 3.87Å; F381-Y448 AromaticContact CZ-CZ 3.95Å |
| 382 | I | 92.3 | Very high | 81.5 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 46% | 0.456 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -54.7 | -173 | -61.5 | 171.5 | 0 | 0 | 0 | 111.4 | T380 Y395 K397 | T380-I382 HydrophobicContact CG2-CG1 4.3Å; I382-Y395 HydrophobicContact CB-CD1 3.71Å; I382-Y395 HydrophobicContact CB-CE1 3.85Å; I382-Y395 HydrophobicContact CD1-CD1 4.31Å; I382-Y395 HydrophobicContact CD1-CE1 3.67Å; I382-Y395 HydrophobicContact CG1-CE1 4.36Å; I382-Y395 HydrophobicContact CG2-CD1 3.81Å; I382-Y395 HydrophobicContact CG2-CE1 3.73Å; I382-Y395 PolarHBondContact N-O 2.96Å; I382-K397 HydrophobicContact CD1-CB 4.29Å; I382-K397 HydrophobicContact CD1-CD 4.16Å; I382-K397 HydrophobicContact CD1-CG 3.7Å |
| 383 | K | 92.8 | Very high | 82.4 | Confident | 138 Ų | 138 | 66.2 Ų | 66.2 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 142 | -172.5 | -175.4 | -174.8 | 171.8 | -174.2 | 0 | 111.3 | K394 Y395 | K383-K394 CarbonylContact O-C 3.4Å; K383-K394 VanDerWaalsContact O-CA 3.26Å; K383-K394 WeakPolarHBondContact O-CA 3.45Å; K383-Y395 HydrophobicContact CB-CD1 4.18Å; K383-Y395 PolarHBondContact N-O 2.91Å; K383-Y395 VanDerWaalsContact N-O 3.08Å; K383-Y395 PolarHBondContact O-N 3.16Å |
| 384 | E | 93 | Very high | 83.2 | Confident | 105 Ų | 105 | 67 Ų | 67 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.2 | 168.8 | -170.1 | 169.1 | 139.6 | 0 | 0 | 110.9 | V392 | E384-V392 HydrophobicContact CG-CG1 3.74Å |
| 385 | L | 87.1 | Confident | 83.8 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -34.2 | 178.1 | -65.2 | 177.1 | 0 | 0 | 0 | 111.8 | V393 F453 | L385-V393 HydrophobicContact CB-CG1 4.35Å; L385-V393 HydrophobicContact CD1-CG1 4.28Å; L385-V393 PolarHBondContact N-O 3.28Å; L385-F453 HydrophobicContact CD1-CD2 4.01Å; L385-F453 HydrophobicContact CD1-CE2 3.8Å; L385-F453 HydrophobicContact CD2-CE2 4.11Å |
| 386 | G | 82.1 | Confident | 84.4 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 165.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V393 | G386-V393 PolarHBondContact N-O 3.3Å; G386-V393 PolarHBondContact O-N 3.09Å |
| 387 | N | 78.8 | Confident | 84.5 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 58% | 0.578 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 106.1 | 177.9 | -173.7 | -8.2 | 0 | 0 | 0 | 109.1 | V392 | N387-V392 HydrophobicContact CB-CG2 4.47Å |
| 388 | G | 66.3 | Low | 84.5 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -179.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | F390 G391 K410 | G388-F390 PolarHBondContact O-N 3.38Å; G388-G391 PolarHBondContact N-O 3.31Å; G388-G391 PolarHBondContact O-N 3.33Å; G388-K410 PolarHBondContact O-NZ 2.87Å |
| 389 | Q | 61.9 | Low | 84.3 | Confident | 123 Ų | 123 | 60.7 Ų | 60.7 | 58% | 0.575 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -39.9 | 175.5 | 178.9 | 172 | -31.9 | 0 | 0 | 111.8 | K410 | Q389-K410 PolarHBondContact O-NZ 3.43Š|
| 390 | F | 62.8 | Low | 83.6 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 25% | 0.254 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.2 | -172.6 | -53.1 | -72.5 | 0 | 0 | 0 | 114.2 | G388 K410 L520 | G388-F390 PolarHBondContact O-N 3.38Å; F390-K410 PolarHBondContact O-N 2.87Å; F390-L520 HydrophobicContact CD1-CD1 3.6Å; F390-L520 HydrophobicContact CD2-CD1 3.57Å; F390-L520 HydrophobicContact CE1-CD1 3.51Å; F390-L520 HydrophobicContact CE2-CD1 3.48Å; F390-L520 VanDerWaalsContact CE2-CD1 3.48Å; F390-L520 HydrophobicContact CG-CD1 3.63Å; F390-L520 HydrophobicContact CZ-CD1 3.45Å; F390-L520 VanDerWaalsContact CZ-CD1 3.45Å |
| 391 | G | 73.7 | Confident | 82.9 | Confident | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.1 | -168 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G388 M408 | G388-G391 PolarHBondContact N-O 3.31Å; G388-G391 PolarHBondContact O-N 3.33Å; G391-M408 VanDerWaalsContact CA-O 3.27Å; G391-M408 WeakPolarHBondContact CA-O 3.32Å |
| 392 | V | 85.1 | Confident | 82.1 | Confident | 30 Ų | 30 | 66 Ų | 66 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 133.8 | -174.5 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | E384 N387 K394 M408 | E384-V392 HydrophobicContact CG-CG1 3.74Å; N387-V392 HydrophobicContact CB-CG2 4.47Å; V392-K394 HydrophobicContact CG1-CG 4.09Å; V392-M408 HydrophobicContact CB-SD 4.39Å; V392-M408 PolarHBondContact N-O 3.5Å; V392-M408 WeakPolarHBondContact O-CB 3.3Å; V392-M408 PolarHBondContact O-N 3.31Å |
| 393 | V | 89.8 | Confident | 81.9 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.2 | 173.6 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | L385 G386 A405 I406 K407 | L385-V393 HydrophobicContact CB-CG1 4.35Å; L385-V393 HydrophobicContact CD1-CG1 4.28Å; L385-V393 PolarHBondContact N-O 3.28Å; G386-V393 PolarHBondContact N-O 3.3Å; G386-V393 PolarHBondContact O-N 3.09Å; V393-A405 HydrophobicContact CG1-CB 4.5Å; V393-I406 WeakPolarHBondContact CA-O 3.42Å; V393-K407 HydrophobicContact CG2-CB 4.24Å; V393-K407 HydrophobicContact CG2-CD 4.41Å; V393-K407 HydrophobicContact CG2-CG 4Å |
| 394 | K | 92.7 | Very high | 81.8 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 26% | 0.261 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.2 | 178.3 | -63.8 | -171 | 173.1 | -177.8 | 0 | 110.8 | F381 K383 V392 I406 M408 | F381-K394 HydrophobicContact CB-CD 4.44Å; F381-K394 HydrophobicContact CD1-CB 4.24Å; F381-K394 HydrophobicContact CD1-CD 3.79Å; K383-K394 CarbonylContact O-C 3.4Å; K383-K394 VanDerWaalsContact O-CA 3.26Å; K383-K394 WeakPolarHBondContact O-CA 3.45Å; V392-K394 HydrophobicContact CG1-CG 4.09Å; K394-I406 PolarHBondContact N-O 3.42Å; K394-I406 PolarHBondContact O-N 2.98Å; K394-M408 HydrophobicContact CD-SD 4.15Å |
| 395 | Y | 94.1 | Very high | 81.8 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 137.2 | 161.2 | 165.8 | -112.5 | 0 | 0 | 0 | 108.8 | I382 K383 D403 F453 | I382-Y395 HydrophobicContact CB-CD1 3.71Å; I382-Y395 HydrophobicContact CB-CE1 3.85Å; I382-Y395 HydrophobicContact CD1-CD1 4.31Å; I382-Y395 HydrophobicContact CD1-CE1 3.67Å; I382-Y395 HydrophobicContact CG1-CE1 4.36Å; I382-Y395 HydrophobicContact CG2-CD1 3.81Å; I382-Y395 HydrophobicContact CG2-CE1 3.73Å; I382-Y395 PolarHBondContact N-O 2.96Å; K383-Y395 HydrophobicContact CB-CD1 4.18Å; K383-Y395 PolarHBondContact N-O 2.91Å; K383-Y395 VanDerWaalsContact N-O 3.08Å; K383-Y395 PolarHBondContact O-N 3.16Å; Y395-D403 HydrophobicContact CE2-CB 3.94Å; Y395-D403 WeakPolarHBondContact CE2-OD1 3.35Å; Y395-D403 PolarHBondContact OH-OD1 3.15Å; Y395-F453 HydrophobicContact CD2-CD1 4.02Å; Y395-F453 AromaticContact CD2-CD2 3.74Å; Y395-F453 HydrophobicContact CD2-CD2 3.74Å; Y395-F453 HydrophobicContact CD2-CE1 4.09Å; Y395-F453 AromaticContact CD2-CE2 3.83Å; Y395-F453 HydrophobicContact CD2-CE2 3.83Å; Y395-F453 AromaticContact CD2-CG 3.84Å; Y395-F453 HydrophobicContact CD2-CG 3.84Å; Y395-F453 AromaticContact CD2-CZ 4Å; Y395-F453 HydrophobicContact CD2-CZ 4Å; Y395-F453 AromaticContact CE2-CD1 3.98Å; Y395-F453 HydrophobicContact CE2-CD1 3.98Å; Y395-F453 HydrophobicContact CE2-CE1 4.1Å; Y395-F453 HydrophobicContact CE2-CG 4.19Å; Y395-F453 HydrophobicContact CE2-CZ 4.43Å; Y395-F453 HydrophobicContact CG-CE2 4.34Å |
| 396 | G | 92.8 | Very high | 82 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | -176.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T380 V404 | T380-G396 CarbonylContact O-C 3.57Å; T380-G396 WeakPolarHBondContact O-CA 3.4Å; G396-V404 PolarHBondContact N-O 3.35Å; G396-V404 PolarHBondContact O-N 2.98Å |
| 397 | K | 87.3 | Confident | 82.2 | Confident | 66 Ų | 66 | 50 Ų | 50 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.9 | 171.4 | -74.9 | -171.7 | 177.4 | -148.2 | 0 | 111 | T380 I382 G400 H402 D403 | T380-K397 PolarHBondContact N-O 2.75Å; T380-K397 PolarHBondContact O-N 3.05Å; I382-K397 HydrophobicContact CD1-CB 4.29Å; I382-K397 HydrophobicContact CD1-CD 4.16Å; I382-K397 HydrophobicContact CD1-CG 3.7Å; K397-G400 WeakPolarHBondContact CD-O 3.23Å; K397-H402 CarbonylContact C-O 3.45Å; K397-H402 WeakPolarHBondContact CA-O 3.47Å; K397-D403 WeakPolarHBondContact CE-OD1 3.41Å |
| 398 | W | 83.1 | Confident | 82.6 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 5% | 0.045 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.8 | 168.3 | 179.6 | 47.1 | 0 | 0 | 0 | 109.7 | M206 L367 D378 L379 G400 Q401 H402 V404 | M206-W398 HydrophobicContact SD-CH2 4.15Å; M206-W398 HydrophobicContact SD-CZ3 4.42Å; L367-W398 HydrophobicContact CB-CH2 3.67Å; L367-W398 HydrophobicContact CB-CZ2 3.94Å; L367-W398 HydrophobicContact CD2-CD2 3.95Å; L367-W398 HydrophobicContact CD2-CE3 3.79Å; L367-W398 HydrophobicContact CD2-CH2 3.14Å; L367-W398 HydrophobicContact CD2-CZ2 3.28Å; L367-W398 HydrophobicContact CD2-CZ3 3.39Å; L367-W398 HydrophobicContact CG-CH2 3.97Å; L367-W398 HydrophobicContact CG-CZ2 4.12Å; D378-W398 CarbonylContact O-C 3.56Å; D378-W398 WeakPolarHBondContact O-CA 3.33Å; L379-W398 HydrophobicContact CD2-CB 3.92Å; L379-W398 HydrophobicContact CD2-CG 4.15Å; W398-G400 PolarHBondContact O-N 2.96Å; W398-Q401 PolarHBondContact O-N 3.1Å; W398-Q401 VanDerWaalsContact O-N 3.15Å; W398-H402 HydrophobicContact CB-CB 4.47Å; W398-H402 HydrophobicContact CE3-CB 4.43Å; W398-H402 PolarHBondContact N-O 2.74Å; W398-H402 PolarHBondContact O-N 3Å; W398-V404 HydrophobicContact CB-CG1 3.84Å; W398-V404 HydrophobicContact CB-CG2 4.15Å |
| 399 | Q | 80.4 | Confident | 83.1 | Confident | 90 Ų | 90 | 45.8 Ų | 45.8 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 27.8 | -172.3 | -61.8 | 179.8 | -4.6 | 0 | 0 | 113.8 | D378 Q401 | D378-Q399 HydrophobicContact CB-CG 4.13Å; D378-Q399 PolarHBondContact O-N 2.69Å; Q399-Q401 PolarHBondContact O-N 2.84Å; Q399-Q401 VanDerWaalsContact O-N 3.11Å |
| 400 | G | 73.9 | Confident | 83.5 | Confident | 44 Ų | 44 | 44.8 Ų | 44.8 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | -0.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K397 W398 | K397-G400 WeakPolarHBondContact CD-O 3.23Å; W398-G400 PolarHBondContact O-N 2.96Å |
| 401 | Q | 77.3 | Confident | 83.6 | Confident | 150 Ų | 150 | 48.7 Ų | 48.7 | 70% | 0.701 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | -45.3 | -174.3 | -62.3 | -169.5 | 11.6 | 0 | 0 | 113.1 | W398 Q399 | W398-Q401 PolarHBondContact O-N 3.1Å; W398-Q401 VanDerWaalsContact O-N 3.15Å; Q399-Q401 PolarHBondContact O-N 2.84Å; Q399-Q401 VanDerWaalsContact O-N 3.11Å |
| 402 | H | 76.5 | Confident | 82.8 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.8 | -169.9 | -61.4 | -68.9 | 0 | 0 | 0 | 112.1 | K397 W398 V404 | K397-H402 CarbonylContact C-O 3.45Å; K397-H402 WeakPolarHBondContact CA-O 3.47Å; W398-H402 HydrophobicContact CB-CB 4.47Å; W398-H402 HydrophobicContact CE3-CB 4.43Å; W398-H402 PolarHBondContact N-O 2.74Å; W398-H402 PolarHBondContact O-N 3Å; H402-V404 PolarHBondContact O-N 3.13Å |
| 403 | D | 87.4 | Confident | 81.3 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 125.4 | 175.8 | -70.5 | -39.4 | 0 | 0 | 0 | 110.9 | Y395 K397 F453 | Y395-D403 HydrophobicContact CE2-CB 3.94Å; Y395-D403 WeakPolarHBondContact CE2-OD1 3.35Å; Y395-D403 PolarHBondContact OH-OD1 3.15Å; K397-D403 WeakPolarHBondContact CE-OD1 3.41Å; D403-F453 HydrophobicContact CB-CB 4.23Å; D403-F453 HydrophobicContact CB-CD1 4.15Å |
| 404 | V | 91.7 | Very high | 79.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.7 | -176 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | L379 G396 W398 H402 I406 Y438 V450 | L379-V404 HydrophobicContact CD2-CG2 4.28Å; G396-V404 PolarHBondContact N-O 3.35Å; G396-V404 PolarHBondContact O-N 2.98Å; W398-V404 HydrophobicContact CB-CG1 3.84Å; W398-V404 HydrophobicContact CB-CG2 4.15Å; H402-V404 PolarHBondContact O-N 3.13Å; V404-I406 HydrophobicContact CG2-CD1 4.07Å; V404-I406 HydrophobicContact CG2-CG1 3.85Å; V404-Y438 HydrophobicContact CG1-CD2 3.91Å; V404-Y438 HydrophobicContact CG1-CE2 4.01Å; V404-V450 HydrophobicContact CB-CG1 3.73Å; V404-V450 HydrophobicContact CG1-CG1 3.86Å; V404-V450 HydrophobicContact CG2-CG1 4.07Å |
| 405 | A | 92.5 | Very high | 77.9 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V393 V450 T451 | V393-A405 HydrophobicContact CG1-CB 4.5Å; A405-V450 WeakPolarHBondContact O-CA 3.48Å; A405-T451 PolarHBondContact N-O 3.21Å; A405-T451 PolarHBondContact O-N 3.47Å |
| 406 | I | 91.3 | Very high | 76.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 106.8 | -175.3 | -51.9 | 164.3 | 0 | 0 | 0 | 107.8 | L379 F381 V393 K394 V404 Y448 I449 | L379-I406 HydrophobicContact CB-CD1 4.17Å; L379-I406 HydrophobicContact CD1-CD1 4.36Å; L379-I406 HydrophobicContact CD1-CG2 4.39Å; L379-I406 HydrophobicContact CD2-CD1 4.15Å; L379-I406 HydrophobicContact CD2-CG1 4.46Å; L379-I406 HydrophobicContact CG-CD1 4.48Å; F381-I406 HydrophobicContact CD1-CD1 3.95Å; F381-I406 HydrophobicContact CE1-CB 4.22Å; F381-I406 HydrophobicContact CE1-CD1 3.93Å; F381-I406 HydrophobicContact CE1-CG2 3.67Å; F381-I406 HydrophobicContact CZ-CD1 4.47Å; F381-I406 HydrophobicContact CZ-CG2 4.29Å; V393-I406 WeakPolarHBondContact CA-O 3.42Å; K394-I406 PolarHBondContact N-O 3.42Å; K394-I406 PolarHBondContact O-N 2.98Å; V404-I406 HydrophobicContact CG2-CD1 4.07Å; V404-I406 HydrophobicContact CG2-CG1 3.85Å; I406-Y448 HydrophobicContact CG2-CD1 4.32Å; I406-Y448 HydrophobicContact CG2-CG 4.07Å; I406-I449 WeakPolarHBondContact CA-O 3.47Å |
| 407 | K | 87.8 | Confident | 74.7 | Confident | 23 Ų | 23 | 63 Ų | 63 | 10% | 0.1 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117 | 177.2 | -176.6 | 174.9 | -166.9 | 175.9 | 0 | 109.8 | V393 I409 Y448 I449 D517 | V393-K407 HydrophobicContact CG2-CB 4.24Å; V393-K407 HydrophobicContact CG2-CD 4.41Å; V393-K407 HydrophobicContact CG2-CG 4Å; K407-I409 HydrophobicContact CD-CD1 4.28Å; K407-I409 HydrophobicContact CG-CD1 4.1Å; K407-Y448 CarbonylContact O-C 3.49Å; K407-Y448 WeakPolarHBondContact O-CA 3.31Å; K407-I449 HydrophobicContact CB-CB 4.27Å; K407-I449 PolarHBondContact N-O 3.17Å; K407-I449 PolarHBondContact O-N 3.29Å; K407-D517 IonicContact NZ-OD1 2.75Å; K407-D517 PolarHBondContact NZ-OD1 3.05Å; K407-D517 IonicContact NZ-OD2 3.65Å; K407-D517 PolarHBondContact NZ-OD2 3.43Å |
| 408 | M | 85.9 | Confident | 73.3 | Confident | 39 Ų | 39 | 64 Ų | 64 | 19% | 0.192 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 119.3 | 176.7 | -51.2 | 175.5 | 71.6 | 0 | 0 | 109.2 | G391 V392 K394 P446 Y448 | G391-M408 VanDerWaalsContact CA-O 3.27Å; G391-M408 WeakPolarHBondContact CA-O 3.32Å; V392-M408 HydrophobicContact CB-SD 4.39Å; V392-M408 PolarHBondContact N-O 3.5Å; V392-M408 WeakPolarHBondContact O-CB 3.3Å; V392-M408 PolarHBondContact O-N 3.31Å; K394-M408 HydrophobicContact CD-SD 4.15Å; M408-P446 HydrophobicContact CE-CG 3.66Å; M408-Y448 HydrophobicContact CB-CD1 4.16Å; M408-Y448 HydrophobicContact CB-CE1 4.15Å; M408-Y448 HydrophobicContact CE-CE1 3.79Å; M408-Y448 HydrophobicContact CG-CD1 3.83Å; M408-Y448 HydrophobicContact CG-CE1 3.69Å; M408-Y448 HydrophobicContact SD-CE1 4.47Å |
| 409 | I | 77.3 | Confident | 72.5 | Confident | 21 Ų | 21 | 64 Ų | 64 | 11% | 0.108 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.4 | -179.6 | -55.1 | -59.5 | 0 | 0 | 0 | 109.9 | K407 S413 F419 P446 I447 I449 | K407-I409 HydrophobicContact CD-CD1 4.28Å; K407-I409 HydrophobicContact CG-CD1 4.1Å; I409-S413 WeakPolarHBondContact CG2-OG 3.5Å; I409-F419 HydrophobicContact CG1-CE2 4.15Å; I409-P446 WeakPolarHBondContact O-CB 3.49Å; I409-I447 HydrophobicContact CB-CB 4.42Å; I409-I447 PolarHBondContact N-O 3.3Å; I409-I449 HydrophobicContact CD1-CD1 3.84Å; I409-I449 HydrophobicContact CD1-CG1 4.27Å; I409-I449 HydrophobicContact CG1-CD1 4.28Å; I409-I449 HydrophobicContact CG1-CG1 4.25Å |
| 410 | K | 69.3 | Low | 71.8 | Confident | 102 Ų | 102 | 61.3 Ų | 61.3 | 44% | 0.443 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 140.7 | 176.8 | -74 | 173.2 | 177.8 | 157.9 | 0 | 111 | G388 Q389 F390 S413 | G388-K410 PolarHBondContact O-NZ 2.87Å; Q389-K410 PolarHBondContact O-NZ 3.43Å; F390-K410 PolarHBondContact O-N 2.87Å; K410-S413 PolarHBondContact O-OG 2.85Å; K410-S413 VanDerWaalsContact O-OG 3.04Å |
| 411 | E | 66.8 | Low | 71.2 | Confident | 140 Ų | 140 | 65.4 Ų | 65.4 | 65% | 0.654 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 140.8 | 176.2 | -70.9 | -176.3 | 175.5 | 0 | 0 | 111.8 | R445 | E411-R445 WeakPolarHBondContact OE1-CD 3.32Š|
| 412 | G | 56.8 | Low | 70.6 | Confident | 84 Ų | 84 | 60.6 Ų | 60.6 | 87% | 0.866 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 3.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 413 | S | 52.1 | Low | 70.3 | Confident | 71 Ų | 71 | 57 Ų | 57 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -79.6 | -26.8 | 177.9 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | I409 K410 | I409-S413 WeakPolarHBondContact CG2-OG 3.5Å; K410-S413 PolarHBondContact O-OG 2.85Å; K410-S413 VanDerWaalsContact O-OG 3.04Å |
| 414 | M | 55 | Low | 69.4 | Low | 67 Ų | 67 | 57.9 Ų | 57.9 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -157.4 | 156.7 | -177.2 | -166.8 | -178.7 | -80.5 | 0 | 0 | 110 | D418 F419 E422 L520 | M414-D418 HydrophobicContact CG-CB 4.37Å; M414-F419 HydrophobicContact CG-CB 4.43Å; M414-F419 HydrophobicContact SD-CB 3.73Å; M414-F419 HydrophobicContact SD-CD2 4.11Å; M414-F419 HydrophobicContact SD-CG 4.45Å; M414-E422 VanDerWaalsContact CE-OE2 3.32Å; M414-E422 WeakPolarHBondContact CE-OE2 3.41Å; M414-L520 HydrophobicContact CE-CD2 4.12Å |
| 415 | S | 57.2 | Low | 68.2 | Low | 56 Ų | 56 | 61 Ų | 61 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | trans | -73.3 | 147.2 | 169.1 | 92.2 | 0 | 0 | 0 | 0 | 110.1 | D418 F419 | S415-D418 WeakPolarHBondContact OG-CB 3.4Å; S415-D418 PolarHBondContact OG-N 2.83Å; S415-D418 PolarHBondContact OG-OD2 3.44Å; S415-F419 WeakPolarHBondContact O-CB 3.42Å; S415-F419 PolarHBondContact O-N 3.43Å | ||
| 416 | E | 60.5 | Low | 67.1 | Low | 76 Ų | 76 | 61.3 Ų | 61.3 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.9 | -37 | -174.8 | -57.1 | -170 | 127.4 | 0 | 0 | 112.9 | F419 I420 R445 I447 | E416-F419 PolarHBondContact O-N 3.09Å; E416-I420 WeakPolarHBondContact O-CB 3.4Å; E416-I420 VanDerWaalsContact O-CG1 3.27Å; E416-I420 WeakPolarHBondContact O-CG1 3.2Å; E416-I420 PolarHBondContact O-N 2.84Å; E416-R445 IonicContact OE1-CZ 3.85Å; E416-R445 IonicContact OE1-NH1 3.9Å; E416-R445 PolarHBondContact OE1-NH1 3.39Å; E416-R445 IonicContact OE1-NH2 3.8Å; E416-R445 PolarHBondContact OE1-NH2 2.98Å; E416-R445 IonicContact OE2-NH2 3.06Å; E416-R445 PolarHBondContact OE2-NH2 3.24Å; E416-R445 VanDerWaalsContact OE2-NH2 3.15Å; E416-I447 HydrophobicContact CG-CD1 4.16Å |
| 417 | D | 57.7 | Low | 66.1 | Low | 122 Ų | 122 | 62.7 Ų | 62.7 | 65% | 0.652 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.5 | -45.5 | 178.8 | -67.3 | -29.7 | 0 | 0 | 0 | 110.4 | F419 I420 E421 | D417-F419 VanDerWaalsContact C-N 3.32Å; D417-F419 PolarHBondContact O-N 3.36Å; D417-I420 PolarHBondContact O-N 3.22Å; D417-E421 WeakPolarHBondContact O-CG 3.26Å; D417-E421 PolarHBondContact O-N 2.95Å |
| 418 | D | 58.4 | Low | 65.3 | Low | 85 Ų | 85 | 68.8 Ų | 68.8 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 176.1 | -62.9 | -34.6 | 0 | 0 | 0 | 110.7 | M414 S415 E421 E422 | M414-D418 HydrophobicContact CG-CB 4.37Å; S415-D418 WeakPolarHBondContact OG-CB 3.4Å; S415-D418 PolarHBondContact OG-N 2.83Å; S415-D418 PolarHBondContact OG-OD2 3.44Å; D418-E421 PolarHBondContact O-N 3.39Å; D418-E422 WeakPolarHBondContact O-CB 3.41Å; D418-E422 WeakPolarHBondContact O-CG 3.27Å; D418-E422 PolarHBondContact O-N 3.48Å |
| 419 | F | 65.8 | Low | 64.8 | Low | 14 Ų | 14 | 67.2 Ų | 67.2 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.2 | 176 | -90.4 | 0 | 0 | 0 | 112.5 | I409 M414 S415 E416 D417 E422 A423 V440 T442 I447 I449 | I409-F419 HydrophobicContact CG1-CE2 4.15Å; M414-F419 HydrophobicContact CG-CB 4.43Å; M414-F419 HydrophobicContact SD-CB 3.73Å; M414-F419 HydrophobicContact SD-CD2 4.11Å; M414-F419 HydrophobicContact SD-CG 4.45Å; S415-F419 WeakPolarHBondContact O-CB 3.42Å; S415-F419 PolarHBondContact O-N 3.43Å; E416-F419 PolarHBondContact O-N 3.09Å; D417-F419 VanDerWaalsContact C-N 3.32Å; D417-F419 PolarHBondContact O-N 3.36Å; F419-E422 PolarHBondContact O-N 3.34Å; F419-A423 VanDerWaalsContact O-CB 3.22Å; F419-A423 WeakPolarHBondContact O-CB 3.49Å; F419-A423 PolarHBondContact O-N 3.07Å; F419-V440 HydrophobicContact CE1-CB 4.1Å; F419-V440 HydrophobicContact CE1-CG1 3.93Å; F419-V440 HydrophobicContact CE1-CG2 4.49Å; F419-V440 HydrophobicContact CZ-CG1 4Å; F419-T442 HydrophobicContact CD1-CG2 4.17Å; F419-T442 HydrophobicContact CE1-CG2 4.03Å; F419-I447 HydrophobicContact CD1-CD1 4.41Å; F419-I447 HydrophobicContact CD1-CG2 3.97Å; F419-I447 HydrophobicContact CE1-CG2 3.29Å; F419-I447 HydrophobicContact CE2-CG2 4.31Å; F419-I447 HydrophobicContact CZ-CG2 3.47Å; F419-I447 VanDerWaalsContact CZ-CG2 3.47Å; F419-I449 HydrophobicContact CE2-CD1 3.85Å; F419-I449 HydrophobicContact CE2-CG1 3.92Å; F419-I449 HydrophobicContact CZ-CD1 4.04Å; F419-I449 HydrophobicContact CZ-CG1 3.58Å |
| 420 | I | 65.6 | Low | 64.9 | Low | 33 Ų | 33 | 69.2 Ų | 69.2 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 179.6 | -72.5 | 164.1 | 0 | 0 | 0 | 110.7 | W372 E416 D417 K424 T442 | W372-I420 HydrophobicContact CH2-CG1 4.46Å; W372-I420 HydrophobicContact CH2-CG2 3.75Å; W372-I420 HydrophobicContact CZ2-CG2 4.49Å; W372-I420 HydrophobicContact CZ3-CG1 4.37Å; W372-I420 HydrophobicContact CZ3-CG2 3.92Å; E416-I420 WeakPolarHBondContact O-CB 3.4Å; E416-I420 VanDerWaalsContact O-CG1 3.27Å; E416-I420 WeakPolarHBondContact O-CG1 3.2Å; E416-I420 PolarHBondContact O-N 2.84Å; D417-I420 PolarHBondContact O-N 3.22Å; I420-K424 HydrophobicContact CG2-CD 4.18Å; I420-K424 WeakPolarHBondContact O-CB 3.35Å; I420-K424 VanDerWaalsContact O-CG 3.31Å; I420-K424 WeakPolarHBondContact O-CG 3.36Å; I420-K424 PolarHBondContact O-N 2.88Å; I420-T442 HydrophobicContact CD1-CG2 4.12Å; I420-T442 HydrophobicContact CG1-CG2 3.75Å |
| 421 | E | 62.3 | Low | 65.7 | Low | 130 Ų | 130 | 67.2 Ų | 67.2 | 61% | 0.607 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.2 | -46.8 | 176.1 | -74.2 | -173.2 | -179.4 | 0 | 0 | 111.2 | D417 D418 K424 I425 | D417-E421 WeakPolarHBondContact O-CG 3.26Å; D417-E421 PolarHBondContact O-N 2.95Å; D418-E421 PolarHBondContact O-N 3.39Å; E421-K424 PolarHBondContact O-N 3.29Å; E421-I425 WeakPolarHBondContact O-CG1 3.47Å; E421-I425 PolarHBondContact O-N 3.48Å |
| 422 | E | 65.5 | Low | 66.6 | Low | 48 Ų | 48 | 67 Ų | 67 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 176.3 | -75 | -176.4 | 179.8 | 0 | 0 | 111.4 | M414 D418 F419 K424 I425 M426 | M414-E422 VanDerWaalsContact CE-OE2 3.32Å; M414-E422 WeakPolarHBondContact CE-OE2 3.41Å; D418-E422 WeakPolarHBondContact O-CB 3.41Å; D418-E422 WeakPolarHBondContact O-CG 3.27Å; D418-E422 PolarHBondContact O-N 3.48Å; F419-E422 PolarHBondContact O-N 3.34Å; E422-K424 VanDerWaalsContact C-N 3.35Å; E422-K424 PolarHBondContact O-N 2.84Å; E422-I425 PolarHBondContact O-N 3.43Å; E422-I425 VanDerWaalsContact O-N 3.13Å; E422-M426 VanDerWaalsContact O-CG 3.28Å; E422-M426 WeakPolarHBondContact O-CG 3.35Å; E422-M426 PolarHBondContact O-N 2.99Å |
| 423 | A | 69.8 | Low | 68.4 | Low | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.025 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F419 I425 M426 M427 V440 | F419-A423 VanDerWaalsContact O-CB 3.22Å; F419-A423 WeakPolarHBondContact O-CB 3.49Å; F419-A423 PolarHBondContact O-N 3.07Å; A423-I425 VanDerWaalsContact C-N 3.29Å; A423-I425 PolarHBondContact O-N 3.22Å; A423-M426 PolarHBondContact O-N 3.43Å; A423-M427 VanDerWaalsContact O-CG 3.27Å; A423-M427 WeakPolarHBondContact O-CG 3.39Å; A423-M427 PolarHBondContact O-N 3.17Å; A423-V440 HydrophobicContact CB-CG1 3.71Å; A423-V440 HydrophobicContact CB-CG2 4.31Å |
| 424 | K | 67.3 | Low | 70.3 | Confident | 91 Ų | 91 | 59.9 Ų | 59.9 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -34.1 | 177.3 | -78.1 | 173.2 | -179.3 | 172.7 | 0 | 113 | W372 I420 E421 E422 | W372-K424 HydrophobicContact CD2-CG 4.5Å; I420-K424 HydrophobicContact CG2-CD 4.18Å; I420-K424 WeakPolarHBondContact O-CB 3.35Å; I420-K424 VanDerWaalsContact O-CG 3.31Å; I420-K424 WeakPolarHBondContact O-CG 3.36Å; I420-K424 PolarHBondContact O-N 2.88Å; E421-K424 PolarHBondContact O-N 3.29Å; E422-K424 VanDerWaalsContact C-N 3.35Å; E422-K424 PolarHBondContact O-N 2.84Å |
| 425 | I | 67.5 | Low | 72 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -77.3 | -42.3 | 176.4 | -52.9 | 163 | 0 | 0 | 0 | 109.7 | E421 E422 A423 M427 K428 Y495 | E421-I425 WeakPolarHBondContact O-CG1 3.47Å; E421-I425 PolarHBondContact O-N 3.48Å; E422-I425 PolarHBondContact O-N 3.43Å; E422-I425 VanDerWaalsContact O-N 3.13Å; A423-I425 VanDerWaalsContact C-N 3.29Å; A423-I425 PolarHBondContact O-N 3.22Å; I425-M427 VanDerWaalsContact C-N 3.25Å; I425-M427 PolarHBondContact O-N 2.85Å; I425-K428 VanDerWaalsContact O-CB 3.31Å; I425-K428 WeakPolarHBondContact O-CB 3.32Å; I425-K428 PolarHBondContact O-N 2.91Å; I425-Y495 VanDerWaalsContact CB-OH 3.23Å; I425-Y495 WeakPolarHBondContact CB-OH 3.4Å; I425-Y495 HydrophobicContact CG2-CE2 3.93Å; I425-Y495 WeakPolarHBondContact CG2-OH 3.32Å |
| 426 | M | 69.3 | Low | 73.3 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -36.4 | 175 | -70.7 | 173.5 | 70.3 | 0 | 0 | 113.3 | E422 A423 K428 L429 L437 F518 G519 | E422-M426 VanDerWaalsContact O-CG 3.28Å; E422-M426 WeakPolarHBondContact O-CG 3.35Å; E422-M426 PolarHBondContact O-N 2.99Å; A423-M426 PolarHBondContact O-N 3.43Å; M426-K428 PolarHBondContact O-N 3.32Å; M426-K428 VanDerWaalsContact O-N 3.16Å; M426-L429 WeakPolarHBondContact O-CB 3.48Å; M426-L429 PolarHBondContact O-N 3.46Å; M426-L437 HydrophobicContact CB-CD2 3.69Å; M426-L437 HydrophobicContact CE-CD2 4.08Å; M426-L437 HydrophobicContact SD-CD2 4.32Å; M426-F518 HydrophobicContact CB-CE2 4.4Å; M426-F518 HydrophobicContact CE-CD2 3.87Å; M426-F518 HydrophobicContact CE-CE2 3.76Å; M426-F518 HydrophobicContact CG-CD2 4.48Å; M426-F518 HydrophobicContact CG-CE2 4.46Å; M426-G519 WeakPolarHBondContact SD-CA 2.89Å |
| 427 | M | 71.2 | Confident | 74.5 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 14% | 0.138 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19.6 | 176.8 | -77.3 | -177.5 | 75.1 | 0 | 0 | 113.4 | W372 A423 I425 L437 Y438 | W372-M427 HydrophobicContact CB-CE 3.65Å; W372-M427 HydrophobicContact CB-SD 3.39Å; W372-M427 WeakPolarHBondContact CB-SD 3.44Å; A423-M427 VanDerWaalsContact O-CG 3.27Å; A423-M427 WeakPolarHBondContact O-CG 3.39Å; A423-M427 PolarHBondContact O-N 3.17Å; I425-M427 VanDerWaalsContact C-N 3.25Å; I425-M427 PolarHBondContact O-N 2.85Å; M427-L437 HydrophobicContact CB-CD2 4.5Å; M427-L437 HydrophobicContact CG-CD2 3.53Å; M427-L437 HydrophobicContact CG-CG 3.84Å; M427-Y438 WeakPolarHBondContact CE-O 3.06Å |
| 428 | K | 70.3 | Confident | 75.6 | Confident | 151 Ų | 151 | 47 Ų | 47 | 66% | 0.657 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -18.8 | 174.3 | -58.5 | 178.3 | -178.9 | -178.5 | 0 | 112.6 | I425 M426 R430 | I425-K428 VanDerWaalsContact O-CB 3.31Å; I425-K428 WeakPolarHBondContact O-CB 3.32Å; I425-K428 PolarHBondContact O-N 2.91Å; M426-K428 PolarHBondContact O-N 3.32Å; M426-K428 VanDerWaalsContact O-N 3.16Å; K428-R430 PolarHBondContact O-N 2.77Å |
| 429 | L | 76.2 | Confident | 76.7 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | trans | -75.6 | 119.7 | 177.3 | -59 | 176.9 | 0 | 0 | 0 | 109 | M426 Y489 L490 Q493 Y495 F518 | M426-L429 WeakPolarHBondContact O-CB 3.48Å; M426-L429 PolarHBondContact O-N 3.46Å; L429-Y489 HydrophobicContact CB-CE1 4.18Å; L429-Y489 HydrophobicContact CD2-CE1 4.07Å; L429-L490 HydrophobicContact CD1-CD2 3.9Å; L429-Q493 HydrophobicContact CD2-CB 3.82Å; L429-Q493 HydrophobicContact CD2-CG 3.82Å; L429-Y495 HydrophobicContact CD1-CD1 4.21Å; L429-Y495 HydrophobicContact CD1-CD2 4.06Å; L429-Y495 HydrophobicContact CD1-CE1 4.21Å; L429-Y495 HydrophobicContact CD1-CE2 4.05Å; L429-Y495 HydrophobicContact CD1-CG 4.14Å; L429-Y495 HydrophobicContact CD2-CD2 4.06Å; L429-Y495 HydrophobicContact CD2-CE2 4.13Å; L429-Y495 HydrophobicContact CG-CE2 4.48Å; L429-F518 HydrophobicContact CB-CE2 4.39Å; L429-F518 HydrophobicContact CD1-CD2 3.99Å; L429-F518 HydrophobicContact CD1-CE2 3.95Å | ||
| 430 | R | 78.1 | Confident | 77.6 | Confident | 63 Ų | 63 | 42.3 Ų | 42.3 | 24% | 0.238 | 19% | 0.194 | C | C | . | . | trans | -142.8 | 119.3 | -175.8 | -61.7 | -174.4 | -179.1 | -169.7 | -6.8 | 110.2 | N228 A365 K428 Y489 | N228-R430 VanDerWaalsContact CG-CZ 3.49Å; N228-R430 PolarHBondContact OD1-NH1 3.17Å; A365-R430 VanDerWaalsContact CA-CZ 3.5Å; A365-R430 VanDerWaalsContact CA-NH2 3.29Å; A365-R430 PolarHBondContact O-NH2 2.97Å; A365-R430 VanDerWaalsContact O-NH2 3.07Å; K428-R430 PolarHBondContact O-N 2.77Å; R430-Y489 PolarHBondContact N-OH 2.62Å; R430-Y489 WeakPolarHBondContact O-CE2 3.31Å; R430-Y489 VanDerWaalsContact O-CZ 3.24Å; R430-Y489 PolarHBondContact O-OH 3.31Å | ||
| 431 | H | 85.8 | Confident | 78.5 | Confident | 59 Ų | 59 | 40.8 Ų | 40.8 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | trans | -159.1 | 148.1 | 179.6 | -171.9 | -91.8 | 0 | 0 | 0 | 109.3 | N433 L434 Y489 | H431-N433 VanDerWaalsContact C-N 3.28Å; H431-N433 PolarHBondContact CE1-OD1 2.97Å; H431-N433 VanDerWaalsContact CE1-OD1 3.24Å; H431-N433 PolarHBondContact ND1-N 3.18Å; H431-N433 VanDerWaalsContact ND1-N 3.1Å; H431-N433 PolarHBondContact O-N 3.37Å; H431-L434 HydrophobicContact CB-CB 4.12Å; H431-L434 HydrophobicContact CB-CD1 3.92Å; H431-L434 HydrophobicContact CB-CG 3.84Å; H431-L434 PolarHBondContact O-N 3.34Å; H431-L434 VanDerWaalsContact O-N 3.07Å; H431-Y489 HydrophobicContact CB-CD1 3.88Å; H431-Y489 HydrophobicContact CB-CD2 4.26Å; H431-Y489 HydrophobicContact CB-CE1 4.24Å; H431-Y489 HydrophobicContact CB-CG 3.86Å; H431-Y489 AromaticContact CD2-CD2 3.84Å; H431-Y489 AromaticContact CD2-CG 3.79Å; H431-Y489 AromaticContact CG-CG 3.97Å | ||
| 432 | E | 87.3 | Confident | 79.2 | Confident | 136 Ų | 136 | 35.7 Ų | 35.7 | 64% | 0.636 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -40.7 | -177.4 | -173.5 | 173.9 | 173.6 | 0 | 0 | 112.3 | L434 K514 | E432-L434 VanDerWaalsContact C-N 3.35Å; E432-L434 PolarHBondContact O-N 2.84Å; E432-K514 WeakPolarHBondContact O-CD 2.88Å; E432-K514 WeakPolarHBondContact O-CE 3.42Å |
| 433 | N | 94.4 | Very high | 79.5 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 19.2 | 177.8 | -48.5 | 96 | 0 | 0 | 0 | 114.7 | H431 D482 V513 K514 V515 | H431-N433 VanDerWaalsContact C-N 3.28Å; H431-N433 PolarHBondContact CE1-OD1 2.97Å; H431-N433 VanDerWaalsContact CE1-OD1 3.24Å; H431-N433 PolarHBondContact ND1-N 3.18Å; H431-N433 VanDerWaalsContact ND1-N 3.1Å; H431-N433 PolarHBondContact O-N 3.37Å; N433-D482 WeakPolarHBondContact CB-O 3.13Å; N433-D482 VanDerWaalsContact CG-O 3.26Å; N433-D482 WeakPolarHBondContact ND2-CA 3.21Å; N433-D482 VanDerWaalsContact ND2-CB 3.31Å; N433-D482 WeakPolarHBondContact ND2-CB 3.36Å; N433-D482 PolarHBondContact ND2-OD1 3.47Å; N433-V513 PolarHBondContact ND2-O 3.3Å; N433-K514 CarbonylContact O-C 3.54Å; N433-K514 WeakPolarHBondContact O-CA 3.49Å; N433-V515 PolarHBondContact O-N 3.25Å |
| 434 | L | 91.4 | Very high | 79.6 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -116.7 | 140.1 | 168.5 | -67 | -175.4 | 0 | 0 | 0 | 109.7 | H431 E432 Q436 Y489 L490 V515 F518 | H431-L434 HydrophobicContact CB-CB 4.12Å; H431-L434 HydrophobicContact CB-CD1 3.92Å; H431-L434 HydrophobicContact CB-CG 3.84Å; H431-L434 PolarHBondContact O-N 3.34Å; H431-L434 VanDerWaalsContact O-N 3.07Å; E432-L434 VanDerWaalsContact C-N 3.35Å; E432-L434 PolarHBondContact O-N 2.84Å; L434-Q436 PolarHBondContact O-N 3.44Å; L434-Y489 HydrophobicContact CD1-CD1 3.51Å; L434-Y489 HydrophobicContact CD1-CE1 3.91Å; L434-L490 HydrophobicContact CD1-CD2 3.65Å; L434-L490 HydrophobicContact CD1-CG 3.94Å; L434-L490 HydrophobicContact CD2-CD1 4.03Å; L434-L490 HydrophobicContact CD2-CD2 4.5Å; L434-L490 HydrophobicContact CD2-CG 4.1Å; L434-V515 HydrophobicContact CD2-CB 3.75Å; L434-V515 HydrophobicContact CD2-CG2 4.39Å; L434-F518 HydrophobicContact CB-CE1 4.19Å; L434-F518 HydrophobicContact CD2-CD1 4.46Å; L434-F518 HydrophobicContact CD2-CE1 4.47Å |
| 435 | V | 90.4 | Very high | 79.9 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 119.9 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 109.5 | L437 T451 E452 L454 L506 K514 V515 F518 | V435-L437 PolarHBondContact O-N 2.89Å; V435-T451 HydrophobicContact CG1-CG2 4.24Å; V435-E452 HydrophobicContact CG1-CG 3.87Å; V435-L454 HydrophobicContact CG2-CD1 4.31Å; V435-L454 HydrophobicContact CG2-CD2 4.48Å; V435-L506 HydrophobicContact CG2-CB 4.32Å; V435-L506 HydrophobicContact CG2-CD1 4.01Å; V435-L506 HydrophobicContact CG2-CG 4.37Å; V435-K514 HydrophobicContact CG2-CB 3.7Å; V435-V515 PolarHBondContact N-O 2.93Å; V435-F518 WeakPolarHBondContact O-CE1 3.23Å; V435-F518 WeakPolarHBondContact O-CZ 3.33Å |
| 436 | Q | 85.3 | Confident | 80.3 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 122.9 | -178.7 | -172.1 | 58 | 62.2 | 0 | 0 | 111.3 | L434 Y438 T451 E452 | L434-Q436 PolarHBondContact O-N 3.44Å; Q436-Y438 HydrophobicContact CB-CE1 4.25Å; Q436-Y438 HydrophobicContact CG-CD1 3.97Å; Q436-Y438 HydrophobicContact CG-CE1 3.86Å; Q436-T451 VanDerWaalsContact O-CA 3.26Å; Q436-T451 WeakPolarHBondContact O-CA 3.4Å; Q436-T451 VanDerWaalsContact O-CB 3.32Å; Q436-T451 WeakPolarHBondContact O-CB 3.35Å; Q436-E452 HydrophobicContact CB-CG 4.2Å; Q436-E452 WeakPolarHBondContact CB-OE1 3.36Å; Q436-E452 PolarHBondContact N-OE1 3.47Å; Q436-E452 PolarHBondContact O-N 3.02Å |
| 437 | L | 84.4 | Confident | 80.9 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 120.5 | 166.5 | 179 | 62.5 | 0 | 0 | 0 | 109.2 | M426 M427 V435 I449 V450 T451 | M426-L437 HydrophobicContact CB-CD2 3.69Å; M426-L437 HydrophobicContact CE-CD2 4.08Å; M426-L437 HydrophobicContact SD-CD2 4.32Å; M427-L437 HydrophobicContact CB-CD2 4.5Å; M427-L437 HydrophobicContact CG-CD2 3.53Å; M427-L437 HydrophobicContact CG-CG 3.84Å; V435-L437 PolarHBondContact O-N 2.89Å; L437-I449 HydrophobicContact CD1-CG2 3.29Å; L437-V450 WeakPolarHBondContact CD1-O 3.46Å; L437-T451 HydrophobicContact CD1-CG2 4.07Å |
| 438 | Y | 81 | Confident | 81.7 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -38.9 | 176.2 | -64.9 | -33.9 | 0 | 0 | 0 | 112.1 | L367 V404 M427 Q436 V450 E452 | L367-Y438 WeakPolarHBondContact CG-O 3.36Å; V404-Y438 HydrophobicContact CG1-CD2 3.91Å; V404-Y438 HydrophobicContact CG1-CE2 4.01Å; M427-Y438 WeakPolarHBondContact CE-O 3.06Å; Q436-Y438 HydrophobicContact CB-CE1 4.25Å; Q436-Y438 HydrophobicContact CG-CD1 3.97Å; Q436-Y438 HydrophobicContact CG-CE1 3.86Å; Y438-V450 WeakPolarHBondContact CB-O 2.98Å; Y438-V450 HydrophobicContact CD2-CG1 4.49Å; Y438-V450 PolarHBondContact N-O 2.84Å; Y438-E452 HydrophobicContact CE1-CB 4.43Å; Y438-E452 VanDerWaalsContact CE2-CA 3.47Å; Y438-E452 HydrophobicContact CE2-CB 4.03Å; Y438-E452 VanDerWaalsContact OH-CB 3.31Å; Y438-E452 WeakPolarHBondContact OH-CB 3.33Å |
| 439 | G | 82.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.8 | -174.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W372 V450 | W372-G439 WeakPolarHBondContact O-CA 3.19Å; G439-V450 PolarHBondContact N-O 3.46Å; G439-V450 PolarHBondContact O-N 3.43Å |
| 440 | V | 83.8 | Confident | 83 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.4 | 179.6 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | W372 E373 I374 F419 A423 T442 Y448 I449 | W372-V440 HydrophobicContact CE3-CG2 3.66Å; W372-V440 HydrophobicContact CZ3-CG2 3.75Å; W372-V440 PolarHBondContact O-N 3.49Å; E373-V440 CarbonylContact C-O 3.53Å; E373-V440 VanDerWaalsContact CA-O 3.28Å; E373-V440 WeakPolarHBondContact CA-O 3.23Å; I374-V440 PolarHBondContact N-O 3.04Å; F419-V440 HydrophobicContact CE1-CB 4.1Å; F419-V440 HydrophobicContact CE1-CG1 3.93Å; F419-V440 HydrophobicContact CE1-CG2 4.49Å; F419-V440 HydrophobicContact CZ-CG1 4Å; A423-V440 HydrophobicContact CB-CG1 3.71Å; A423-V440 HydrophobicContact CB-CG2 4.31Å; V440-T442 HydrophobicContact CB-CG2 4.47Å; V440-T442 HydrophobicContact CG2-CG2 4.07Å; V440-Y448 CarbonylContact C-O 3.48Å; V440-Y448 WeakPolarHBondContact CA-O 3.17Å; V440-Y448 WeakPolarHBondContact CB-O 3.44Å; V440-I449 HydrophobicContact CG1-CG1 4.38Å |
| 441 | C | 85.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106.4 | 170 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | I374 P376 L379 I447 Y448 | I374-C441 PolarHBondContact O-SG 3.44Å; P376-C441 HydrophobicContact CG-CB 4.12Å; L379-C441 VanDerWaalsContact CD1-SG 3.56Å; C441-I447 WeakPolarHBondContact O-CA 3.45Å; C441-I447 WeakPolarHBondContact O-CG2 3.37Å; C441-Y448 HydrophobicContact CB-CD2 3.62Å; C441-Y448 HydrophobicContact CB-CG 4.07Å; C441-Y448 PolarHBondContact N-O 2.91Å; C441-Y448 PolarHBondContact O-N 3Å; C441-Y448 VanDerWaalsContact O-N 3.08Å |
| 442 | T | 77 | Confident | 83.6 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 14% | 0.141 | 16% | 0.161 | C | C | . | . | trans | -109.5 | -17.8 | -177.2 | 43.1 | 0 | 0 | 0 | 0 | 113.8 | E373 F419 I420 V440 Q444 I447 | E373-T442 PolarHBondContact OE1-OG1 3.36Å; F419-T442 HydrophobicContact CD1-CG2 4.17Å; F419-T442 HydrophobicContact CE1-CG2 4.03Å; I420-T442 HydrophobicContact CD1-CG2 4.12Å; I420-T442 HydrophobicContact CG1-CG2 3.75Å; V440-T442 HydrophobicContact CB-CG2 4.47Å; V440-T442 HydrophobicContact CG2-CG2 4.07Å; T442-Q444 VanDerWaalsContact C-N 3.27Å; T442-Q444 PolarHBondContact O-N 3.04Å; T442-I447 HydrophobicContact CG2-CG2 4.12Å | ||
| 443 | K | 71.6 | Confident | 83.8 | Confident | 162 Ų | 162 | 31.2 Ų | 31.2 | 70% | 0.704 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -68.3 | -17.1 | 177.2 | -85.3 | 158.4 | -172.1 | 160.2 | 0 | 115.6 | E373 | E373-K443 VanDerWaalsContact CD-CE 3.42Å; E373-K443 WeakPolarHBondContact OE1-CD 3.29Å; E373-K443 WeakPolarHBondContact OE1-CE 3.45Å; E373-K443 VanDerWaalsContact OE1-CG 3.24Å; E373-K443 WeakPolarHBondContact OE1-CG 3.27Å; E373-K443 PolarHBondContact OE1-N 2.91Å; E373-K443 IonicContact OE1-NZ 3.75Å; E373-K443 WeakPolarHBondContact OE2-CE 3.47Å; E373-K443 IonicContact OE2-NZ 2.68Å; E373-K443 PolarHBondContact OE2-NZ 3.33Å |
| 444 | Q | 71.7 | Confident | 83.7 | Confident | 98 Ų | 98 | 31.6 Ų | 31.6 | 46% | 0.458 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -131.4 | 144.1 | -178.4 | -178.3 | 175 | -6.5 | 0 | 0 | 110.1 | P376 T442 P446 | P376-Q444 VanDerWaalsContact CB-OE1 3.26Å; P376-Q444 HydrophobicContact CG-CB 3.82Å; T442-Q444 VanDerWaalsContact C-N 3.27Å; T442-Q444 PolarHBondContact O-N 3.04Å; Q444-P446 CarbonylContact O-C 3.55Å |
| 445 | R | 74.5 | Confident | 83.6 | Confident | 129 Ų | 129 | 34.4 Ų | 34.4 | 49% | 0.487 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -93 | 144.9 | 169.6 | -66.1 | -158.1 | -171.2 | -72.4 | -8.1 | 111.9 | E411 E416 | E411-R445 WeakPolarHBondContact OE1-CD 3.32Å; E416-R445 IonicContact OE1-CZ 3.85Å; E416-R445 IonicContact OE1-NH1 3.9Å; E416-R445 PolarHBondContact OE1-NH1 3.39Å; E416-R445 IonicContact OE1-NH2 3.8Å; E416-R445 PolarHBondContact OE1-NH2 2.98Å; E416-R445 IonicContact OE2-NH2 3.06Å; E416-R445 PolarHBondContact OE2-NH2 3.24Å; E416-R445 VanDerWaalsContact OE2-NH2 3.15Å |
| 446 | P | 76 | Confident | 83.6 | Confident | 40 Ų | 40 | 37.5 Ų | 37.5 | 26% | 0.26 | 19% | 0.185 | S | C | . | . | S | Bend | cis | -70.3 | 156.4 | -8.8 | 26.6 | -28.9 | 0 | 0 | 0 | 112.1 | M408 I409 Q444 Y448 | M408-P446 HydrophobicContact CE-CG 3.66Å; I409-P446 WeakPolarHBondContact O-CB 3.49Å; Q444-P446 CarbonylContact O-C 3.55Å; P446-Y448 HydrophobicContact CG-CE1 3.93Å; P446-Y448 WeakPolarHBondContact O-CD1 2.88Å; P446-Y448 WeakPolarHBondContact O-CE1 3.47Å |
| 447 | I | 81.6 | Confident | 84 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 141.9 | 179.7 | -64.9 | 173.8 | 0 | 0 | 0 | 109.7 | I409 E416 F419 C441 T442 | I409-I447 HydrophobicContact CB-CB 4.42Å; I409-I447 PolarHBondContact N-O 3.3Å; E416-I447 HydrophobicContact CG-CD1 4.16Å; F419-I447 HydrophobicContact CD1-CD1 4.41Å; F419-I447 HydrophobicContact CD1-CG2 3.97Å; F419-I447 HydrophobicContact CE1-CG2 3.29Å; F419-I447 HydrophobicContact CE2-CG2 4.31Å; F419-I447 HydrophobicContact CZ-CG2 3.47Å; F419-I447 VanDerWaalsContact CZ-CG2 3.47Å; C441-I447 WeakPolarHBondContact O-CA 3.45Å; C441-I447 WeakPolarHBondContact O-CG2 3.37Å; T442-I447 HydrophobicContact CG2-CG2 4.12Å |
| 448 | Y | 86.3 | Confident | 84.4 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.3 | 176.6 | -49.6 | -43.8 | 0 | 0 | 0 | 112.7 | P376 L379 F381 I406 K407 M408 V440 C441 P446 | P376-Y448 HydrophobicContact CB-CE2 4.36Å; L379-Y448 HydrophobicContact CD1-CD2 4.29Å; F381-Y448 HydrophobicContact CZ-CD2 4.33Å; F381-Y448 HydrophobicContact CZ-CE1 4.44Å; F381-Y448 AromaticContact CZ-CE2 3.87Å; F381-Y448 HydrophobicContact CZ-CE2 3.87Å; F381-Y448 AromaticContact CZ-CZ 3.95Å; I406-Y448 HydrophobicContact CG2-CD1 4.32Å; I406-Y448 HydrophobicContact CG2-CG 4.07Å; K407-Y448 CarbonylContact O-C 3.49Å; K407-Y448 WeakPolarHBondContact O-CA 3.31Å; M408-Y448 HydrophobicContact CB-CD1 4.16Å; M408-Y448 HydrophobicContact CB-CE1 4.15Å; M408-Y448 HydrophobicContact CE-CE1 3.79Å; M408-Y448 HydrophobicContact CG-CD1 3.83Å; M408-Y448 HydrophobicContact CG-CE1 3.69Å; M408-Y448 HydrophobicContact SD-CE1 4.47Å; V440-Y448 CarbonylContact C-O 3.48Å; V440-Y448 WeakPolarHBondContact CA-O 3.17Å; V440-Y448 WeakPolarHBondContact CB-O 3.44Å; C441-Y448 HydrophobicContact CB-CD2 3.62Å; C441-Y448 HydrophobicContact CB-CG 4.07Å; C441-Y448 PolarHBondContact N-O 2.91Å; C441-Y448 PolarHBondContact O-N 3Å; C441-Y448 VanDerWaalsContact O-N 3.08Å; P446-Y448 HydrophobicContact CG-CE1 3.93Å; P446-Y448 WeakPolarHBondContact O-CD1 2.88Å; P446-Y448 WeakPolarHBondContact O-CE1 3.47Å |
| 449 | I | 86.2 | Confident | 85.2 | Confident | 19 Ų | 19 | 38.1 Ų | 38.1 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.9 | 162.1 | -58 | 177.3 | 0 | 0 | 0 | 107 | I406 K407 I409 F419 L437 V440 T451 | I406-I449 WeakPolarHBondContact CA-O 3.47Å; K407-I449 HydrophobicContact CB-CB 4.27Å; K407-I449 PolarHBondContact N-O 3.17Å; K407-I449 PolarHBondContact O-N 3.29Å; I409-I449 HydrophobicContact CD1-CD1 3.84Å; I409-I449 HydrophobicContact CD1-CG1 4.27Å; I409-I449 HydrophobicContact CG1-CD1 4.28Å; I409-I449 HydrophobicContact CG1-CG1 4.25Å; F419-I449 HydrophobicContact CE2-CD1 3.85Å; F419-I449 HydrophobicContact CE2-CG1 3.92Å; F419-I449 HydrophobicContact CZ-CD1 4.04Å; F419-I449 HydrophobicContact CZ-CG1 3.58Å; L437-I449 HydrophobicContact CD1-CG2 3.29Å; V440-I449 HydrophobicContact CG1-CG1 4.38Å; I449-T451 HydrophobicContact CG2-CG2 3.99Å |
| 450 | V | 87.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.7 | -179.8 | -172.4 | 0 | 0 | 0 | 0 | 109.3 | I374 L379 V404 A405 L437 Y438 G439 | I374-V450 HydrophobicContact CD1-CB 3.49Å; I374-V450 VanDerWaalsContact CD1-CB 3.49Å; I374-V450 HydrophobicContact CD1-CG1 3.91Å; I374-V450 HydrophobicContact CD1-CG2 3.52Å; L379-V450 HydrophobicContact CD1-CG2 3.81Å; L379-V450 HydrophobicContact CD2-CG1 4.31Å; L379-V450 HydrophobicContact CD2-CG2 4.22Å; V404-V450 HydrophobicContact CB-CG1 3.73Å; V404-V450 HydrophobicContact CG1-CG1 3.86Å; V404-V450 HydrophobicContact CG2-CG1 4.07Å; A405-V450 WeakPolarHBondContact O-CA 3.48Å; L437-V450 WeakPolarHBondContact CD1-O 3.46Å; Y438-V450 WeakPolarHBondContact CB-O 2.98Å; Y438-V450 HydrophobicContact CD2-CG1 4.49Å; Y438-V450 PolarHBondContact N-O 2.84Å; G439-V450 PolarHBondContact N-O 3.46Å; G439-V450 PolarHBondContact O-N 3.43Å |
| 451 | T | 89.7 | Confident | 86.4 | Confident | 24 Ų | 24 | 42.9 Ų | 42.9 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 171 | -179.2 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | A405 V435 Q436 L437 I449 | A405-T451 PolarHBondContact N-O 3.21Å; A405-T451 PolarHBondContact O-N 3.47Å; V435-T451 HydrophobicContact CG1-CG2 4.24Å; Q436-T451 VanDerWaalsContact O-CA 3.26Å; Q436-T451 WeakPolarHBondContact O-CA 3.4Å; Q436-T451 VanDerWaalsContact O-CB 3.32Å; Q436-T451 WeakPolarHBondContact O-CB 3.35Å; L437-T451 HydrophobicContact CD1-CG2 4.07Å; I449-T451 HydrophobicContact CG2-CG2 3.99Å |
| 452 | E | 87.7 | Confident | 86.9 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 144.6 | 166.4 | 61.1 | 174.5 | 122.6 | 0 | 0 | 111.5 | V435 Q436 Y438 L454 K514 | V435-E452 HydrophobicContact CG1-CG 3.87Å; Q436-E452 HydrophobicContact CB-CG 4.2Å; Q436-E452 WeakPolarHBondContact CB-OE1 3.36Å; Q436-E452 PolarHBondContact N-OE1 3.47Å; Q436-E452 PolarHBondContact O-N 3.02Å; Y438-E452 HydrophobicContact CE1-CB 4.43Å; Y438-E452 VanDerWaalsContact CE2-CA 3.47Å; Y438-E452 HydrophobicContact CE2-CB 4.03Å; Y438-E452 VanDerWaalsContact OH-CB 3.31Å; Y438-E452 WeakPolarHBondContact OH-CB 3.33Å; E452-L454 HydrophobicContact CB-CD1 4.36Å; E452-L454 HydrophobicContact CG-CD1 3.54Å; E452-K514 VanDerWaalsContact CD-NZ 3.31Å; E452-K514 IonicContact OE1-NZ 3.85Å; E452-K514 PolarHBondContact OE1-NZ 2.97Å; E452-K514 IonicContact OE2-NZ 3.95Å; E452-K514 PolarHBondContact OE2-NZ 3.48Å |
| 453 | F | 91.6 | Very high | 87.8 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | trans | -91.9 | 123.7 | 176.2 | 171.6 | -112 | 0 | 0 | 0 | 110.9 | L385 Y395 D403 A455 | L385-F453 HydrophobicContact CD1-CD2 4.01Å; L385-F453 HydrophobicContact CD1-CE2 3.8Å; L385-F453 HydrophobicContact CD2-CE2 4.11Å; Y395-F453 HydrophobicContact CD2-CD1 4.02Å; Y395-F453 AromaticContact CD2-CD2 3.74Å; Y395-F453 HydrophobicContact CD2-CD2 3.74Å; Y395-F453 HydrophobicContact CD2-CE1 4.09Å; Y395-F453 AromaticContact CD2-CE2 3.83Å; Y395-F453 HydrophobicContact CD2-CE2 3.83Å; Y395-F453 AromaticContact CD2-CG 3.84Å; Y395-F453 HydrophobicContact CD2-CG 3.84Å; Y395-F453 AromaticContact CD2-CZ 4Å; Y395-F453 HydrophobicContact CD2-CZ 4Å; Y395-F453 AromaticContact CE2-CD1 3.98Å; Y395-F453 HydrophobicContact CE2-CD1 3.98Å; Y395-F453 HydrophobicContact CE2-CE1 4.1Å; Y395-F453 HydrophobicContact CE2-CG 4.19Å; Y395-F453 HydrophobicContact CE2-CZ 4.43Å; Y395-F453 HydrophobicContact CG-CE2 4.34Å; D403-F453 HydrophobicContact CB-CB 4.23Å; D403-F453 HydrophobicContact CB-CD1 4.15Å; F453-A455 HydrophobicContact CE1-CB 4.02Å; F453-A455 HydrophobicContact CZ-CB 4.38Å | ||
| 454 | L | 92 | Very high | 88.8 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | trans | -107.9 | 111.7 | 177.3 | -83.6 | 78.9 | 0 | 0 | 0 | 110.4 | V435 E452 N456 G457 L506 V507 D508 K514 | V435-L454 HydrophobicContact CG2-CD1 4.31Å; V435-L454 HydrophobicContact CG2-CD2 4.48Å; E452-L454 HydrophobicContact CB-CD1 4.36Å; E452-L454 HydrophobicContact CG-CD1 3.54Å; L454-N456 VanDerWaalsContact C-N 3.32Å; L454-N456 PolarHBondContact O-N 3.23Å; L454-G457 PolarHBondContact O-N 3.06Å; L454-L506 HydrophobicContact CB-CB 3.96Å; L454-L506 HydrophobicContact CB-CD1 4.26Å; L454-L506 HydrophobicContact CD1-CD1 4.45Å; L454-L506 HydrophobicContact CD2-CB 3.47Å; L454-L506 VanDerWaalsContact CD2-CB 3.47Å; L454-L506 HydrophobicContact CG-CB 4.21Å; L454-V507 WeakPolarHBondContact CB-O 3.37Å; L454-D508 HydrophobicContact CD2-CB 4.12Å; L454-D508 HydrophobicContact CG-CB 4.28Å; L454-K514 HydrophobicContact CD2-CB 4.02Å; L454-K514 HydrophobicContact CD2-CD 4.02Å; L454-K514 HydrophobicContact CD2-CG 4.01Å | ||
| 455 | A | 88.4 | Confident | 89.8 | Confident | 62 Ų | 62 | 44.5 Ų | 44.5 | 51% | 0.512 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F453 G457 | F453-A455 HydrophobicContact CE1-CB 4.02Å; F453-A455 HydrophobicContact CZ-CB 4.38Å; A455-G457 VanDerWaalsContact C-N 3.31Å |
| 456 | N | 92 | Very high | 90.1 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 4.6 | -178.4 | -71.6 | -38.4 | 0 | 0 | 0 | 113.3 | L454 Y462 V507 D508 | L454-N456 VanDerWaalsContact C-N 3.32Å; L454-N456 PolarHBondContact O-N 3.23Å; N456-Y462 HydrophobicContact CB-CD2 3.84Å; N456-Y462 HydrophobicContact CB-CE2 4.01Å; N456-V507 HydrophobicContact CB-CB 3.86Å; N456-V507 HydrophobicContact CB-CG1 4.02Å; N456-V507 WeakPolarHBondContact CB-O 3.43Å; N456-V507 PolarHBondContact N-O 3.14Å; N456-D508 PolarHBondContact ND2-O 2.83Å |
| 457 | G | 92.4 | Very high | 90.6 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | trans | 69 | -154.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L454 A455 L506 V507 | L454-G457 PolarHBondContact O-N 3.06Å; A455-G457 VanDerWaalsContact C-N 3.31Å; G457-L506 CarbonylContact O-C 3.54Å; G457-L506 VanDerWaalsContact O-CA 3.31Å; G457-L506 WeakPolarHBondContact O-CA 3.45Å; G457-V507 PolarHBondContact O-N 3Å | ||
| 458 | C | 94.1 | Very high | 90.4 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -80.1 | 148.2 | -178.4 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | L460 T461 Y462 R503 C505 L506 | C458-L460 PolarHBondContact O-N 3.16Å; C458-T461 PolarHBondContact O-N 2.82Å; C458-T461 VanDerWaalsContact O-N 3.12Å; C458-T461 PolarHBondContact SG-OG1 3.37Å; C458-T461 VanDerWaalsContact SG-OG1 3.41Å; C458-Y462 WeakPolarHBondContact O-CB 3.37Å; C458-Y462 PolarHBondContact O-N 3.37Å; C458-R503 WeakPolarHBondContact CB-O 3.21Å; C458-C505 CarbonylContact C-O 3.54Å; C458-C505 WeakPolarHBondContact CA-O 3.33Å; C458-C505 WeakPolarHBondContact CB-O 3.42Å; C458-L506 HydrophobicContact CB-CD2 3.9Å |
| 459 | L | 97 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.1 | -37.3 | -176.9 | 177.7 | 64.5 | 0 | 0 | 0 | 111.8 | T461 Y462 L463 M479 A502 C505 V507 V513 V568 | L459-T461 PolarHBondContact O-N 2.87Å; L459-Y462 HydrophobicContact CD1-CD1 4.39Å; L459-Y462 PolarHBondContact O-N 3.28Å; L459-L463 HydrophobicContact CD1-CD1 4.21Å; L459-L463 HydrophobicContact CD1-CD2 4.43Å; L459-L463 HydrophobicContact CD1-CG 4Å; L459-L463 HydrophobicContact CG-CD1 3.93Å; L459-L463 HydrophobicContact CG-CG 4.23Å; L459-L463 WeakPolarHBondContact O-CB 3.39Å; L459-L463 WeakPolarHBondContact O-CG 3.35Å; L459-L463 PolarHBondContact O-N 3.29Å; L459-M479 HydrophobicContact CD1-SD 3.84Å; L459-A502 WeakPolarHBondContact CB-O 3.46Å; L459-A502 HydrophobicContact CD2-CB 4.35Å; L459-A502 HydrophobicContact CG-CB 4.4Å; L459-A502 PolarHBondContact N-O 3.22Å; L459-C505 HydrophobicContact CB-CB 3.88Å; L459-C505 HydrophobicContact CD2-CB 4.07Å; L459-C505 PolarHBondContact N-O 2.97Å; L459-V507 HydrophobicContact CB-CG2 4.07Å; L459-V507 HydrophobicContact CD1-CG2 3.9Å; L459-V513 HydrophobicContact CD1-CG2 4.08Å; L459-V513 HydrophobicContact CD2-CG1 4.07Å; L459-V568 HydrophobicContact CD2-CG2 3.98Å |
| 460 | L | 96.1 | Very high | 90.2 | Very high | 36 Ų | 36 | 64 Ų | 64 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 176.5 | 179.2 | 62.1 | 0 | 0 | 0 | 112.8 | C458 K464 A502 R503 | C458-L460 PolarHBondContact O-N 3.16Å; L460-K464 WeakPolarHBondContact O-CG 3.34Å; L460-K464 PolarHBondContact O-N 3.34Å; L460-A502 HydrophobicContact CB-CB 4.06Å; L460-A502 PolarHBondContact N-O 3.42Å; L460-R503 HydrophobicContact CB-CB 4.48Å; L460-R503 HydrophobicContact CD2-CB 4.17Å |
| 461 | T | 94.4 | Very high | 90.4 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.4 | -38.4 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | C458 L459 L463 K464 E465 | C458-T461 PolarHBondContact O-N 2.82Å; C458-T461 VanDerWaalsContact O-N 3.12Å; C458-T461 PolarHBondContact SG-OG1 3.37Å; C458-T461 VanDerWaalsContact SG-OG1 3.41Å; L459-T461 PolarHBondContact O-N 2.87Å; T461-L463 VanDerWaalsContact C-N 3.35Å; T461-L463 PolarHBondContact O-N 3.13Å; T461-K464 PolarHBondContact O-N 3.25Å; T461-E465 HydrophobicContact CG2-CB 4.49Å; T461-E465 PolarHBondContact O-N 2.79Å |
| 462 | Y | 95.7 | Very high | 90.5 | Very high | 36 Ų | 36 | 67.1 Ų | 67.1 | 14% | 0.141 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -58.8 | -43.7 | 176.8 | -174.3 | -105.6 | 0 | 0 | 0 | 112.5 | N456 C458 L459 K464 G466 L467 M479 V507 | N456-Y462 HydrophobicContact CB-CD2 3.84Å; N456-Y462 HydrophobicContact CB-CE2 4.01Å; C458-Y462 WeakPolarHBondContact O-CB 3.37Å; C458-Y462 PolarHBondContact O-N 3.37Å; L459-Y462 HydrophobicContact CD1-CD1 4.39Å; L459-Y462 PolarHBondContact O-N 3.28Å; Y462-K464 VanDerWaalsContact C-N 3.33Å; Y462-K464 PolarHBondContact O-N 2.69Å; Y462-G466 CarbonylContact O-C 3.6Å; Y462-G466 VanDerWaalsContact O-CA 3.27Å; Y462-G466 WeakPolarHBondContact O-CA 3.34Å; Y462-G466 PolarHBondContact O-N 3.04Å; Y462-L467 HydrophobicContact CD1-CD2 4.32Å; Y462-L467 HydrophobicContact CE1-CD2 3.62Å; Y462-L467 HydrophobicContact CE1-CG 4.25Å; Y462-L467 PolarHBondContact O-N 3.39Å; Y462-L467 VanDerWaalsContact O-N 3.14Å; Y462-M479 HydrophobicContact CD1-CE 4.46Å; Y462-M479 HydrophobicContact CE1-CE 3.9Å; Y462-V507 HydrophobicContact CD1-CB 4.44Å; Y462-V507 HydrophobicContact CD1-CG1 4.12Å; Y462-V507 HydrophobicContact CD1-CG2 3.91Å; Y462-V507 HydrophobicContact CD2-CB 4.49Å; Y462-V507 HydrophobicContact CD2-CG1 4.34Å; Y462-V507 HydrophobicContact CE1-CG1 4.03Å; Y462-V507 HydrophobicContact CE2-CG1 4.27Å; Y462-V507 HydrophobicContact CG-CB 4.26Å; Y462-V507 HydrophobicContact CG-CG1 4.27Å; Y462-V507 HydrophobicContact CG-CG2 3.92Å |
| 463 | L | 96.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 69.2 Ų | 69.2 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | I | π-helix | trans | -63.1 | -35.9 | 176.3 | -72.7 | 165 | 0 | 0 | 0 | 113 | L459 T461 L467 L476 M479 V568 L571 | L459-L463 HydrophobicContact CD1-CD1 4.21Å; L459-L463 HydrophobicContact CD1-CD2 4.43Å; L459-L463 HydrophobicContact CD1-CG 4Å; L459-L463 HydrophobicContact CG-CD1 3.93Å; L459-L463 HydrophobicContact CG-CG 4.23Å; L459-L463 WeakPolarHBondContact O-CB 3.39Å; L459-L463 WeakPolarHBondContact O-CG 3.35Å; L459-L463 PolarHBondContact O-N 3.29Å; T461-L463 VanDerWaalsContact C-N 3.35Å; T461-L463 PolarHBondContact O-N 3.13Å; L463-L467 HydrophobicContact CD2-CD1 4.37Å; L463-L476 HydrophobicContact CD2-CD2 4.05Å; L463-M479 HydrophobicContact CD2-SD 4.13Å; L463-V568 HydrophobicContact CD1-CB 4.49Å; L463-V568 HydrophobicContact CD1-CG2 4.18Å; L463-V568 HydrophobicContact CD2-CG1 4.42Å; L463-L571 HydrophobicContact CD2-CD2 4.43Å |
| 464 | K | 93.9 | Very high | 90.7 | Very high | 120 Ų | 120 | 67.7 Ų | 67.7 | 52% | 0.522 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -81.8 | -39.5 | -177.7 | -71.9 | -180 | 178.5 | -179.4 | 0 | 113.3 | L460 T461 Y462 G572 | L460-K464 WeakPolarHBondContact O-CG 3.34Å; L460-K464 PolarHBondContact O-N 3.34Å; T461-K464 PolarHBondContact O-N 3.25Å; Y462-K464 VanDerWaalsContact C-N 3.33Å; Y462-K464 PolarHBondContact O-N 2.69Å; K464-G572 WeakPolarHBondContact CE-O 3.39Å; K464-G572 PolarHBondContact NZ-O 3.43Å |
| 465 | E | 91.6 | Very high | 90.7 | Very high | 155 Ų | 155 | 71.2 Ų | 71.2 | 72% | 0.724 | 38% | 0.378 | S | S | * | . | I | π-helix | trans | -132.2 | -25.6 | -162.9 | -62.7 | 171.6 | -163.8 | 0 | 0 | 113.2 | T461 | T461-E465 HydrophobicContact CG2-CB 4.49Å; T461-E465 PolarHBondContact O-N 2.79Å |
| 466 | G | 81.8 | Confident | 91.1 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 32% | 0.32 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -85.5 | -22.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y462 K468 | Y462-G466 CarbonylContact O-C 3.6Å; Y462-G466 VanDerWaalsContact O-CA 3.27Å; Y462-G466 WeakPolarHBondContact O-CA 3.34Å; Y462-G466 PolarHBondContact O-N 3.04Å; G466-K468 PolarHBondContact O-N 3.28Å |
| 467 | L | 85.1 | Confident | 91.4 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | trans | -73.5 | 111.2 | 179.5 | -68.7 | 171.6 | 0 | 0 | 0 | 111 | Y462 L463 Q469 P471 M479 | Y462-L467 HydrophobicContact CD1-CD2 4.32Å; Y462-L467 HydrophobicContact CE1-CD2 3.62Å; Y462-L467 HydrophobicContact CE1-CG 4.25Å; Y462-L467 PolarHBondContact O-N 3.39Å; Y462-L467 VanDerWaalsContact O-N 3.14Å; L463-L467 HydrophobicContact CD2-CD1 4.37Å; L467-Q469 PolarHBondContact O-N 3.39Å; L467-P471 HydrophobicContact CD1-CB 3.94Å; L467-P471 HydrophobicContact CD1-CG 3.69Å; L467-M479 HydrophobicContact CD2-CE 4.3Å | ||
| 468 | K | 78.4 | Confident | 91.5 | Very high | 207 Ų | 207 | 67.2 Ų | 67.2 | 90% | 0.9 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -69.2 | -21.1 | 179.9 | -62.9 | -176.8 | -177.1 | 175.9 | 0 | 113.9 | G466 | G466-K468 PolarHBondContact O-N 3.28Š|
| 469 | Q | 83.4 | Confident | 91.7 | Very high | 166 Ų | 166 | 66.4 Ų | 66.4 | 78% | 0.776 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -138.5 | 161.3 | 179.7 | -63.2 | -178.3 | 13.6 | 0 | 0 | 108.7 | L467 | L467-Q469 PolarHBondContact O-N 3.39Š|
| 470 | H | 85.6 | Confident | 91.8 | Very high | 180 Ų | 180 | 66.4 Ų | 66.4 | 83% | 0.833 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 124.6 | 172.5 | -79.3 | -67.3 | 0 | 0 | 0 | 109.9 | ||
| 471 | P | 90.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 66.5 Ų | 66.5 | 10% | 0.104 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -70 | 143.7 | -176.9 | 30.5 | -35.7 | 0 | 0 | 0 | 110 | L467 L476 L571 | L467-P471 HydrophobicContact CD1-CB 3.94Å; L467-P471 HydrophobicContact CD1-CG 3.69Å; P471-L476 HydrophobicContact CB-CD2 3.9Å; P471-L476 HydrophobicContact CB-CG 4.12Å; P471-L476 HydrophobicContact CG-CD1 4.35Å; P471-L476 HydrophobicContact CG-CD2 3.89Å; P471-L476 HydrophobicContact CG-CG 4.23Å; P471-L571 HydrophobicContact CG-CD2 3.68Å |
| 472 | T | 91.8 | Very high | 92 | Very high | 74 Ų | 74 | 64.5 Ų | 64.5 | 45% | 0.454 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 157.1 | 169.3 | 70.8 | 0 | 0 | 0 | 0 | 110 | V474 Q475 L476 | T472-V474 PolarHBondContact O-N 3.15Å; T472-Q475 PolarHBondContact O-N 3.41Å; T472-Q475 WeakPolarHBondContact OG1-CG 3.28Å; T472-Q475 PolarHBondContact OG1-N 3.17Å; T472-Q475 VanDerWaalsContact OG1-N 3.12Å; T472-L476 WeakPolarHBondContact O-CG 3.41Å; T472-L476 PolarHBondContact O-N 2.78Å; T472-L476 VanDerWaalsContact O-N 3.16Å |
| 473 | T | 91.5 | Very high | 92.1 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 37% | 0.368 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.4 | -30.8 | 174.9 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | L476 L477 Y569 L599 | T473-L476 PolarHBondContact O-N 3.19Å; T473-L477 PolarHBondContact O-N 3.48Å; T473-L477 VanDerWaalsContact O-N 3.07Å; T473-Y569 PolarHBondContact O-OH 3.26Å; T473-L599 WeakPolarHBondContact CG2-O 3.09Å |
| 474 | V | 92.2 | Very high | 92.2 | Very high | 27 Ų | 27 | 62.5 Ų | 62.5 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | T472 L476 L477 E478 L633 L636 Q637 | T472-V474 PolarHBondContact O-N 3.15Å; V474-L476 VanDerWaalsContact C-N 3.29Å; V474-L476 PolarHBondContact O-N 3.45Å; V474-L477 CarbonylContact O-C 3.44Å; V474-L477 WeakPolarHBondContact O-CA 3.49Å; V474-L477 PolarHBondContact O-N 3.4Å; V474-E478 HydrophobicContact CG1-CG 4.43Å; V474-E478 WeakPolarHBondContact O-CG 3.47Å; V474-E478 PolarHBondContact O-N 2.94Å; V474-L633 HydrophobicContact CG1-CD2 3.95Å; V474-L636 HydrophobicContact CG2-CB 4.15Å; V474-Q637 HydrophobicContact CG1-CG 4.04Å |
| 475 | Q | 93.4 | Very high | 92.3 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 40% | 0.402 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59 | -39.6 | 176.4 | -75.8 | 170.7 | -20.8 | 0 | 0 | 112.5 | T472 L477 E478 M479 | T472-Q475 PolarHBondContact O-N 3.41Å; T472-Q475 WeakPolarHBondContact OG1-CG 3.28Å; T472-Q475 PolarHBondContact OG1-N 3.17Å; T472-Q475 VanDerWaalsContact OG1-N 3.12Å; Q475-L477 VanDerWaalsContact C-N 3.33Å; Q475-E478 PolarHBondContact O-N 3.45Å; Q475-M479 WeakPolarHBondContact O-CG 3.37Å; Q475-M479 PolarHBondContact O-N 3.48Å; Q475-M479 VanDerWaalsContact O-N 3.13Å |
| 476 | L | 96.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 175.2 | -64.8 | 180 | 0 | 0 | 0 | 111.8 | L463 P471 T472 T473 V474 M479 C480 V568 Y569 L571 L599 | L463-L476 HydrophobicContact CD2-CD2 4.05Å; P471-L476 HydrophobicContact CB-CD2 3.9Å; P471-L476 HydrophobicContact CB-CG 4.12Å; P471-L476 HydrophobicContact CG-CD1 4.35Å; P471-L476 HydrophobicContact CG-CD2 3.89Å; P471-L476 HydrophobicContact CG-CG 4.23Å; T472-L476 WeakPolarHBondContact O-CG 3.41Å; T472-L476 PolarHBondContact O-N 2.78Å; T472-L476 VanDerWaalsContact O-N 3.16Å; T473-L476 PolarHBondContact O-N 3.19Å; V474-L476 VanDerWaalsContact C-N 3.29Å; V474-L476 PolarHBondContact O-N 3.45Å; L476-M479 HydrophobicContact CD2-SD 4.41Å; L476-M479 PolarHBondContact O-N 2.93Å; L476-C480 PolarHBondContact O-N 3.12Å; L476-C480 PolarHBondContact O-SG 3.28Å; L476-C480 VanDerWaalsContact O-SG 3.35Å; L476-V568 HydrophobicContact CB-CG1 3.88Å; L476-V568 HydrophobicContact CD2-CG1 3.82Å; L476-V568 HydrophobicContact CG-CG1 4.38Å; L476-V568 WeakPolarHBondContact O-CG1 3.27Å; L476-Y569 HydrophobicContact CB-CE1 4.31Å; L476-Y569 HydrophobicContact CB-CE2 4.23Å; L476-Y569 HydrophobicContact CD1-CD1 4.23Å; L476-Y569 HydrophobicContact CD1-CE1 4.43Å; L476-L571 HydrophobicContact CD1-CD2 4.23Å; L476-L571 HydrophobicContact CD2-CD2 4.01Å; L476-L599 HydrophobicContact CD1-CB 4.38Å; L476-L599 HydrophobicContact CD1-CD1 3.95Å |
| 477 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.4 | -34.5 | 176.8 | -165.7 | 60.7 | 0 | 0 | 0 | 112.2 | T473 V474 Q475 C480 K481 M565 Y569 V604 V629 L632 L633 L636 | T473-L477 PolarHBondContact O-N 3.48Å; T473-L477 VanDerWaalsContact O-N 3.07Å; V474-L477 CarbonylContact O-C 3.44Å; V474-L477 WeakPolarHBondContact O-CA 3.49Å; V474-L477 PolarHBondContact O-N 3.4Å; Q475-L477 VanDerWaalsContact C-N 3.33Å; L477-C480 WeakPolarHBondContact O-CB 3.32Å; L477-C480 PolarHBondContact O-N 3.13Å; L477-K481 WeakPolarHBondContact O-CB 3.41Å; L477-K481 PolarHBondContact O-N 3.33Å; L477-M565 HydrophobicContact CD1-CE 4.42Å; L477-Y569 WeakPolarHBondContact CB-OH 3.39Å; L477-V604 HydrophobicContact CD1-CG2 4.38Å; L477-V629 HydrophobicContact CD1-CG1 3.78Å; L477-V629 HydrophobicContact CG-CG1 3.96Å; L477-L632 HydrophobicContact CD2-CB 4.15Å; L477-L632 HydrophobicContact CD2-CD2 3.99Å; L477-L632 HydrophobicContact CD2-CG 3.8Å; L477-L633 HydrophobicContact CB-CD2 3.75Å; L477-L633 HydrophobicContact CB-CG 4.25Å; L477-L633 HydrophobicContact CD2-CB 4.49Å; L477-L633 HydrophobicContact CD2-CD2 3.83Å; L477-L633 HydrophobicContact CD2-CG 3.7Å; L477-L633 HydrophobicContact CG-CD1 4.46Å; L477-L633 HydrophobicContact CG-CD2 3.83Å; L477-L633 HydrophobicContact CG-CG 3.77Å; L477-L636 HydrophobicContact CD2-CD1 3.88Å |
| 478 | E | 96.4 | Very high | 93.7 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 171.8 | -72.2 | 170.5 | 161 | 0 | 0 | 111.1 | V474 Q475 C480 K481 D482 L633 | V474-E478 HydrophobicContact CG1-CG 4.43Å; V474-E478 WeakPolarHBondContact O-CG 3.47Å; V474-E478 PolarHBondContact O-N 2.94Å; Q475-E478 PolarHBondContact O-N 3.45Å; E478-C480 VanDerWaalsContact C-N 3.33Å; E478-C480 PolarHBondContact O-N 3.48Å; E478-K481 WeakPolarHBondContact O-CB 3.36Å; E478-K481 PolarHBondContact O-N 2.87Å; E478-D482 PolarHBondContact O-N 3.18Å; E478-L633 HydrophobicContact CG-CD1 4.33Å; E478-L633 HydrophobicContact CG-CD2 3.79Å |
| 479 | M | 97.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 173.9 | -66.7 | 175 | -166.5 | 0 | 0 | 112.6 | L459 Y462 L463 L467 Q475 L476 V483 V513 | L459-M479 HydrophobicContact CD1-SD 3.84Å; Y462-M479 HydrophobicContact CD1-CE 4.46Å; Y462-M479 HydrophobicContact CE1-CE 3.9Å; L463-M479 HydrophobicContact CD2-SD 4.13Å; L467-M479 HydrophobicContact CD2-CE 4.3Å; Q475-M479 WeakPolarHBondContact O-CG 3.37Å; Q475-M479 PolarHBondContact O-N 3.48Å; Q475-M479 VanDerWaalsContact O-N 3.13Å; L476-M479 HydrophobicContact CD2-SD 4.41Å; L476-M479 PolarHBondContact O-N 2.93Å; M479-V483 WeakPolarHBondContact O-CG2 3.5Å; M479-V483 PolarHBondContact O-N 2.97Å; M479-V513 HydrophobicContact CB-CG2 3.77Å; M479-V513 HydrophobicContact CG-CG2 3.75Å |
| 480 | C | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 175.7 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | L476 L477 E478 V483 S484 Y561 M565 | L476-C480 PolarHBondContact O-N 3.12Å; L476-C480 PolarHBondContact O-SG 3.28Å; L476-C480 VanDerWaalsContact O-SG 3.35Å; L477-C480 WeakPolarHBondContact O-CB 3.32Å; L477-C480 PolarHBondContact O-N 3.13Å; E478-C480 VanDerWaalsContact C-N 3.33Å; E478-C480 PolarHBondContact O-N 3.48Å; C480-V483 PolarHBondContact O-N 2.9Å; C480-S484 PolarHBondContact O-N 3.2Å; C480-S484 PolarHBondContact O-OG 3Å; C480-Y561 PolarHBondContact O-OH 3.28Å; C480-M565 HydrophobicContact CB-CE 4.27Å; C480-M565 HydrophobicContact CB-CG 4.27Å |
| 481 | K | 97.4 | Very high | 95.1 | Very high | 38 Ų | 38 | 26.6 Ų | 26.6 | 17% | 0.165 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -51.9 | 177.6 | -173.9 | -138 | 173 | -124.7 | 0 | 110.8 | L477 E478 V483 S484 E485 V629 L633 | L477-K481 WeakPolarHBondContact O-CB 3.41Å; L477-K481 PolarHBondContact O-N 3.33Å; E478-K481 WeakPolarHBondContact O-CB 3.36Å; E478-K481 PolarHBondContact O-N 2.87Å; K481-V483 VanDerWaalsContact C-N 3.3Å; K481-V483 PolarHBondContact O-N 2.89Å; K481-S484 WeakPolarHBondContact CA-OG 3.28Å; K481-S484 PolarHBondContact O-N 3.43Å; K481-S484 PolarHBondContact O-OG 3.31Å; K481-E485 WeakPolarHBondContact CE-OE1 3.02Å; K481-E485 WeakPolarHBondContact CE-OE2 3.43Å; K481-E485 IonicContact NZ-OE1 2.72Å; K481-E485 PolarHBondContact NZ-OE1 2.99Å; K481-E485 IonicContact NZ-OE2 3.7Å; K481-E485 PolarHBondContact NZ-OE2 3.48Å; K481-E485 PolarHBondContact O-N 3.49Å; K481-V629 HydrophobicContact CB-CG1 3.62Å; K481-V629 HydrophobicContact CG-CG1 4.16Å; K481-L633 HydrophobicContact CB-CD1 3.74Å; K481-L633 HydrophobicContact CD-CD1 3.77Å; K481-L633 HydrophobicContact CG-CD1 3.85Å |
| 482 | D | 96.9 | Very high | 95.1 | Very high | 22 Ų | 22 | 29 Ų | 29 | 12% | 0.118 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -51.7 | -48.6 | 176.5 | -75.1 | -6.1 | 0 | 0 | 0 | 111.8 | N433 E478 S484 E485 G486 T512 V513 | N433-D482 WeakPolarHBondContact CB-O 3.13Å; N433-D482 VanDerWaalsContact CG-O 3.26Å; N433-D482 WeakPolarHBondContact ND2-CA 3.21Å; N433-D482 VanDerWaalsContact ND2-CB 3.31Å; N433-D482 WeakPolarHBondContact ND2-CB 3.36Å; N433-D482 PolarHBondContact ND2-OD1 3.47Å; E478-D482 PolarHBondContact O-N 3.18Å; D482-S484 PolarHBondContact O-N 3.04Å; D482-E485 PolarHBondContact O-N 3.33Å; D482-G486 PolarHBondContact O-N 2.95Å; D482-G486 VanDerWaalsContact O-N 3.13Å; D482-T512 WeakPolarHBondContact OD2-CA 3.49Å; D482-V513 HydrophobicContact CB-CB 3.88Å; D482-V513 WeakPolarHBondContact CB-O 3.24Å; D482-V513 PolarHBondContact OD2-N 3.25Å |
| 483 | V | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.7 | 175 | 0 | 0 | 0 | 0 | 111.5 | M479 C480 K481 E485 G486 M487 L500 V513 V515 Y561 L564 | M479-V483 WeakPolarHBondContact O-CG2 3.5Å; M479-V483 PolarHBondContact O-N 2.97Å; C480-V483 PolarHBondContact O-N 2.9Å; K481-V483 VanDerWaalsContact C-N 3.3Å; K481-V483 PolarHBondContact O-N 2.89Å; V483-E485 PolarHBondContact O-N 3.41Å; V483-G486 PolarHBondContact O-N 2.98Å; V483-M487 HydrophobicContact CG1-CG 4.3Å; V483-M487 WeakPolarHBondContact O-CB 3.48Å; V483-M487 WeakPolarHBondContact O-CG 3.36Å; V483-M487 PolarHBondContact O-N 3.43Å; V483-L500 HydrophobicContact CG1-CD1 4.13Å; V483-V513 HydrophobicContact CG2-CB 4.29Å; V483-V513 HydrophobicContact CG2-CG1 3.54Å; V483-V515 HydrophobicContact CB-CG2 4.44Å; V483-V515 HydrophobicContact CG1-CG2 4.01Å; V483-V515 HydrophobicContact CG2-CG2 4.49Å; V483-Y561 HydrophobicContact CB-CE2 4.23Å; V483-Y561 HydrophobicContact CG1-CD2 3.88Å; V483-Y561 HydrophobicContact CG1-CE2 3.99Å; V483-L564 HydrophobicContact CB-CD2 4.5Å; V483-L564 HydrophobicContact CG1-CD1 3.95Å; V483-L564 HydrophobicContact CG1-CD2 4.25Å; V483-L564 HydrophobicContact CG2-CD2 4.32Å |
| 484 | S | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.7 | -36.9 | 179.9 | 69.5 | 0 | 0 | 0 | 0 | 112.9 | C480 K481 D482 M487 A488 A626 | C480-S484 PolarHBondContact O-N 3.2Å; C480-S484 PolarHBondContact O-OG 3Å; K481-S484 WeakPolarHBondContact CA-OG 3.28Å; K481-S484 PolarHBondContact O-N 3.43Å; K481-S484 PolarHBondContact O-OG 3.31Å; D482-S484 PolarHBondContact O-N 3.04Å; S484-M487 PolarHBondContact O-N 3.43Å; S484-A488 VanDerWaalsContact O-CB 3.3Å; S484-A488 WeakPolarHBondContact O-CB 3.44Å; S484-A488 PolarHBondContact O-N 3.38Å; S484-A626 WeakPolarHBondContact OG-CA 3.39Å |
| 485 | E | 96.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 29.4 Ų | 29.4 | 24% | 0.238 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.7 | -44.1 | 176.3 | -70.1 | 177.5 | 144.4 | 0 | 0 | 111.2 | K481 D482 V483 M487 A488 Y489 A626 | K481-E485 WeakPolarHBondContact CE-OE1 3.02Å; K481-E485 WeakPolarHBondContact CE-OE2 3.43Å; K481-E485 IonicContact NZ-OE1 2.72Å; K481-E485 PolarHBondContact NZ-OE1 2.99Å; K481-E485 IonicContact NZ-OE2 3.7Å; K481-E485 PolarHBondContact NZ-OE2 3.48Å; K481-E485 PolarHBondContact O-N 3.49Å; D482-E485 PolarHBondContact O-N 3.33Å; V483-E485 PolarHBondContact O-N 3.41Å; E485-M487 VanDerWaalsContact C-N 3.34Å; E485-M487 PolarHBondContact O-N 3.18Å; E485-A488 PolarHBondContact O-N 3.29Å; E485-Y489 PolarHBondContact O-N 3.27Å; E485-Y489 VanDerWaalsContact O-N 3.09Å; E485-A626 HydrophobicContact CG-CB 4.36Å |
| 486 | G | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D482 V483 Y489 L490 | D482-G486 PolarHBondContact O-N 2.95Å; D482-G486 VanDerWaalsContact O-N 3.13Å; V483-G486 PolarHBondContact O-N 2.98Å; G486-Y489 PolarHBondContact O-N 3.29Å; G486-L490 PolarHBondContact O-N 3.19Å; G486-L490 VanDerWaalsContact O-N 3.17Å |
| 487 | M | 96.9 | Very high | 93 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.6 | -33.7 | 178 | -71.1 | -59.6 | -55.3 | 0 | 0 | 113.3 | V483 S484 E485 Y489 L490 E491 H497 L500 V515 D557 F622 | V483-M487 HydrophobicContact CG1-CG 4.3Å; V483-M487 WeakPolarHBondContact O-CB 3.48Å; V483-M487 WeakPolarHBondContact O-CG 3.36Å; V483-M487 PolarHBondContact O-N 3.43Å; S484-M487 PolarHBondContact O-N 3.43Å; E485-M487 VanDerWaalsContact C-N 3.34Å; E485-M487 PolarHBondContact O-N 3.18Å; M487-Y489 VanDerWaalsContact C-N 3.29Å; M487-Y489 PolarHBondContact O-N 3.39Å; M487-L490 HydrophobicContact CE-CD1 4.48Å; M487-L490 PolarHBondContact O-N 3Å; M487-L490 HydrophobicContact SD-CD1 3.89Å; M487-E491 WeakPolarHBondContact O-CB 3.44Å; M487-E491 PolarHBondContact O-N 3.43Å; M487-H497 HydrophobicContact CE-CB 3.83Å; M487-H497 HydrophobicContact SD-CB 4.23Å; M487-L500 HydrophobicContact CE-CD2 4.13Å; M487-L500 HydrophobicContact CG-CD1 4.29Å; M487-L500 HydrophobicContact CG-CD2 3.87Å; M487-L500 HydrophobicContact SD-CD1 3.96Å; M487-L500 HydrophobicContact SD-CD2 3.99Å; M487-L500 HydrophobicContact SD-CG 4.48Å; M487-V515 HydrophobicContact CG-CG2 4.43Å; M487-V515 HydrophobicContact SD-CG1 4.2Å; M487-D557 HydrophobicContact CE-CB 3.81Å; M487-F622 HydrophobicContact CB-CB 4.48Å; M487-F622 HydrophobicContact CB-CD1 3.4Å; M487-F622 HydrophobicContact CB-CD2 3.93Å; M487-F622 HydrophobicContact CB-CE1 3.36Å; M487-F622 HydrophobicContact CB-CE2 3.89Å; M487-F622 HydrophobicContact CB-CG 3.69Å; M487-F622 HydrophobicContact CB-CZ 3.62Å; M487-F622 HydrophobicContact CE-CD2 4.41Å; M487-F622 HydrophobicContact CE-CE2 3.58Å; M487-F622 HydrophobicContact CE-CZ 3.65Å; M487-F622 HydrophobicContact CG-CD1 4.36Å; M487-F622 HydrophobicContact CG-CE1 3.84Å; M487-F622 HydrophobicContact CG-CE2 4.47Å; M487-F622 HydrophobicContact CG-CZ 3.91Å |
| 488 | A | 96.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 28 Ų | 28 | 7% | 0.074 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S484 E485 E491 A492 F622 | S484-A488 VanDerWaalsContact O-CB 3.3Å; S484-A488 WeakPolarHBondContact O-CB 3.44Å; S484-A488 PolarHBondContact O-N 3.38Å; E485-A488 PolarHBondContact O-N 3.29Å; A488-E491 PolarHBondContact O-N 3.39Å; A488-A492 WeakPolarHBondContact O-CB 3.49Å; A488-A492 PolarHBondContact O-N 3.39Å; A488-F622 VanDerWaalsContact CA-CB 3.5Å; A488-F622 HydrophobicContact CB-CB 3.89Å |
| 489 | Y | 93.4 | Very high | 92.1 | Very high | 53 Ų | 53 | 26.2 Ų | 26.2 | 21% | 0.208 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 172.2 | 177.4 | -92 | 0 | 0 | 0 | 112 | L429 R430 H431 L434 E485 G486 M487 E491 A492 Q493 | L429-Y489 HydrophobicContact CB-CE1 4.18Å; L429-Y489 HydrophobicContact CD2-CE1 4.07Å; R430-Y489 PolarHBondContact N-OH 2.62Å; R430-Y489 WeakPolarHBondContact O-CE2 3.31Å; R430-Y489 VanDerWaalsContact O-CZ 3.24Å; R430-Y489 PolarHBondContact O-OH 3.31Å; H431-Y489 HydrophobicContact CB-CD1 3.88Å; H431-Y489 HydrophobicContact CB-CD2 4.26Å; H431-Y489 HydrophobicContact CB-CE1 4.24Å; H431-Y489 HydrophobicContact CB-CG 3.86Å; H431-Y489 AromaticContact CD2-CD2 3.84Å; H431-Y489 AromaticContact CD2-CG 3.79Å; H431-Y489 AromaticContact CG-CG 3.97Å; L434-Y489 HydrophobicContact CD1-CD1 3.51Å; L434-Y489 HydrophobicContact CD1-CE1 3.91Å; E485-Y489 PolarHBondContact O-N 3.27Å; E485-Y489 VanDerWaalsContact O-N 3.09Å; G486-Y489 PolarHBondContact O-N 3.29Å; M487-Y489 VanDerWaalsContact C-N 3.29Å; M487-Y489 PolarHBondContact O-N 3.39Å; Y489-E491 PolarHBondContact O-N 3.37Å; Y489-A492 PolarHBondContact O-N 3.13Å; Y489-Q493 HydrophobicContact CD1-CG 4.23Å; Y489-Q493 HydrophobicContact CE1-CG 3.83Å; Y489-Q493 HydrophobicContact CE2-CG 4.22Å; Y489-Q493 WeakPolarHBondContact O-CG 3.41Å; Y489-Q493 PolarHBondContact O-N 3.37Å |
| 490 | L | 90.6 | Very high | 92 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.9 | -69.8 | -179.2 | 0 | 0 | 0 | 112.4 | L429 L434 G486 M487 A492 Q493 Q494 Y495 F518 | L429-L490 HydrophobicContact CD1-CD2 3.9Å; L434-L490 HydrophobicContact CD1-CD2 3.65Å; L434-L490 HydrophobicContact CD1-CG 3.94Å; L434-L490 HydrophobicContact CD2-CD1 4.03Å; L434-L490 HydrophobicContact CD2-CD2 4.5Å; L434-L490 HydrophobicContact CD2-CG 4.1Å; G486-L490 PolarHBondContact O-N 3.19Å; G486-L490 VanDerWaalsContact O-N 3.17Å; M487-L490 HydrophobicContact CE-CD1 4.48Å; M487-L490 PolarHBondContact O-N 3Å; M487-L490 HydrophobicContact SD-CD1 3.89Å; L490-A492 PolarHBondContact O-N 3.31Å; L490-Q493 CarbonylContact O-C 3.55Å; L490-Q493 PolarHBondContact O-N 2.87Å; L490-Q493 VanDerWaalsContact O-N 3.13Å; L490-Q494 PolarHBondContact O-N 2.85Å; L490-Q494 VanDerWaalsContact O-N 3.12Å; L490-Y495 PolarHBondContact O-N 3.21Å; L490-F518 HydrophobicContact CD1-CB 4.21Å |
| 491 | E | 92.1 | Very high | 91.9 | Very high | 31 Ų | 31 | 25.6 Ų | 25.6 | 15% | 0.145 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 175.2 | -175 | -180 | -116.5 | 0 | 0 | 110.8 | M487 A488 Y489 Q493 Q494 F622 | M487-E491 WeakPolarHBondContact O-CB 3.44Å; M487-E491 PolarHBondContact O-N 3.43Å; A488-E491 PolarHBondContact O-N 3.39Å; Y489-E491 PolarHBondContact O-N 3.37Å; E491-Q493 VanDerWaalsContact C-N 3.26Å; E491-Q493 PolarHBondContact O-N 3.25Å; E491-Q494 PolarHBondContact O-N 2.99Å; E491-Q494 PolarHBondContact O-NE2 3.15Å; E491-F622 HydrophobicContact CB-CB 4.46Å; E491-F622 HydrophobicContact CB-CD2 4.28Å; E491-F622 PolarHBondContact OE1-N 2.9Å; E491-F622 PolarHBondContact OE2-N 2.74Å |
| 492 | A | 89.8 | Confident | 91.9 | Very high | 68 Ų | 68 | 23.8 Ų | 23.8 | 56% | 0.562 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -62.4 | -32.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A488 Y489 L490 Q494 | A488-A492 WeakPolarHBondContact O-CB 3.49Å; A488-A492 PolarHBondContact O-N 3.39Å; Y489-A492 PolarHBondContact O-N 3.13Å; L490-A492 PolarHBondContact O-N 3.31Å; A492-Q494 VanDerWaalsContact C-N 3.27Å; A492-Q494 PolarHBondContact O-N 3.41Å |
| 493 | Q | 84.3 | Confident | 91.7 | Very high | 87 Ų | 87 | 26 Ų | 26 | 41% | 0.407 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.2 | 174.4 | -60.8 | -52.3 | -62.5 | 0 | 0 | 113.7 | L429 Y489 L490 E491 Y495 | L429-Q493 HydrophobicContact CD2-CB 3.82Å; L429-Q493 HydrophobicContact CD2-CG 3.82Å; Y489-Q493 HydrophobicContact CD1-CG 4.23Å; Y489-Q493 HydrophobicContact CE1-CG 3.83Å; Y489-Q493 HydrophobicContact CE2-CG 4.22Å; Y489-Q493 WeakPolarHBondContact O-CG 3.41Å; Y489-Q493 PolarHBondContact O-N 3.37Å; L490-Q493 CarbonylContact O-C 3.55Å; L490-Q493 PolarHBondContact O-N 2.87Å; L490-Q493 VanDerWaalsContact O-N 3.13Å; E491-Q493 VanDerWaalsContact C-N 3.26Å; E491-Q493 PolarHBondContact O-N 3.25Å; Q493-Y495 VanDerWaalsContact C-N 3.32Å; Q493-Y495 HydrophobicContact CB-CD2 4.17Å; Q493-Y495 WeakPolarHBondContact O-CD2 3.42Å; Q493-Y495 PolarHBondContact O-N 3.46Å |
| 494 | Q | 81.3 | Confident | 91.5 | Very high | 72 Ų | 72 | 26.7 Ų | 26.7 | 34% | 0.336 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 40.3 | -179.3 | -55.1 | -65.4 | -67.6 | 0 | 0 | 113 | L490 E491 A492 Y523 V524 | L490-Q494 PolarHBondContact O-N 2.85Å; L490-Q494 VanDerWaalsContact O-N 3.12Å; E491-Q494 PolarHBondContact O-N 2.99Å; E491-Q494 PolarHBondContact O-NE2 3.15Å; A492-Q494 VanDerWaalsContact C-N 3.27Å; A492-Q494 PolarHBondContact O-N 3.41Å; Q494-Y523 HydrophobicContact CB-CE2 4.15Å; Q494-V524 PolarHBondContact O-N 3.05Å |
| 495 | Y | 82.6 | Confident | 91.4 | Very high | 10 Ų | 10 | 26.7 Ų | 26.7 | 4% | 0.039 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.7 | 177.3 | -96.8 | -90.4 | 0 | 0 | 0 | 111.4 | I425 L429 L490 Q493 Y523 | I425-Y495 VanDerWaalsContact CB-OH 3.23Å; I425-Y495 WeakPolarHBondContact CB-OH 3.4Å; I425-Y495 HydrophobicContact CG2-CE2 3.93Å; I425-Y495 WeakPolarHBondContact CG2-OH 3.32Å; L429-Y495 HydrophobicContact CD1-CD1 4.21Å; L429-Y495 HydrophobicContact CD1-CD2 4.06Å; L429-Y495 HydrophobicContact CD1-CE1 4.21Å; L429-Y495 HydrophobicContact CD1-CE2 4.05Å; L429-Y495 HydrophobicContact CD1-CG 4.14Å; L429-Y495 HydrophobicContact CD2-CD2 4.06Å; L429-Y495 HydrophobicContact CD2-CE2 4.13Å; L429-Y495 HydrophobicContact CG-CE2 4.48Å; L490-Y495 PolarHBondContact O-N 3.21Å; Q493-Y495 VanDerWaalsContact C-N 3.32Å; Q493-Y495 HydrophobicContact CB-CD2 4.17Å; Q493-Y495 WeakPolarHBondContact O-CD2 3.42Å; Q493-Y495 PolarHBondContact O-N 3.46Å; Y495-Y523 HydrophobicContact CD2-CD2 4.05Å; Y495-Y523 AromaticContact CE2-CD2 3.68Å; Y495-Y523 HydrophobicContact CE2-CD2 3.68Å; Y495-Y523 HydrophobicContact CE2-CG 4.39Å |
| 496 | I | 84.8 | Confident | 91.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.4 | 175.3 | -51.8 | 166.6 | 0 | 0 | 0 | 108.9 | R498 S521 R522 V524 F552 D557 | I496-R498 HydrophobicContact CB-CG 4.26Å; I496-R498 HydrophobicContact CG2-CG 3.66Å; I496-S521 WeakPolarHBondContact O-CA 3.22Å; I496-S521 WeakPolarHBondContact O-CB 3.27Å; I496-S521 PolarHBondContact O-OG 3.01Å; I496-R522 PolarHBondContact N-O 3.49Å; I496-R522 PolarHBondContact O-N 2.97Å; I496-V524 HydrophobicContact CD1-CB 3.89Å; I496-V524 HydrophobicContact CD1-CG1 4.31Å; I496-V524 HydrophobicContact CD1-CG2 3.8Å; I496-F552 HydrophobicContact CG2-CB 4.41Å; I496-D557 WeakPolarHBondContact CA-OD2 3.32Å; I496-D557 VanDerWaalsContact CG2-OD2 3.29Å; I496-D557 WeakPolarHBondContact CG2-OD2 3.41Å |
| 497 | H | 89.4 | Confident | 91.4 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | trans | -69.3 | -44.9 | -177.5 | -169.9 | -41.4 | 0 | 0 | 0 | 113.5 | M487 D499 L500 V515 T516 S521 D557 | M487-H497 HydrophobicContact CE-CB 3.83Å; M487-H497 HydrophobicContact SD-CB 4.23Å; H497-D499 PolarHBondContact ND1-N 3.24Å; H497-D499 PolarHBondContact O-N 2.89Å; H497-L500 PolarHBondContact ND1-N 2.85Å; H497-V515 WeakPolarHBondContact CD2-CG1 3.3Å; H497-V515 VanDerWaalsContact NE2-CG1 3.3Å; H497-V515 WeakPolarHBondContact NE2-CG1 3.34Å; H497-T516 PolarHBondContact NE2-O 3.5Å; H497-T516 VanDerWaalsContact NE2-O 3.09Å; H497-S521 WeakPolarHBondContact CA-OG 3.21Å; H497-D557 PolarHBondContact N-OD2 3.46Å | ||
| 498 | R | 86.1 | Confident | 91 | Very high | 53 Ų | 53 | 26.9 Ų | 26.9 | 20% | 0.2 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 68.8 | -9.5 | 175.7 | -51.4 | 167.8 | 59 | -147.5 | -7.5 | 117.1 | I496 L520 F552 D557 | I496-R498 HydrophobicContact CB-CG 4.26Å; I496-R498 HydrophobicContact CG2-CG 3.66Å; R498-L520 PolarHBondContact NH1-O 2.83Å; R498-F552 HydrophobicContact CB-CD1 3.82Å; R498-F552 HydrophobicContact CB-CE1 4.08Å; R498-F552 HydrophobicContact CG-CB 4.21Å; R498-F552 HydrophobicContact CG-CD1 3.84Å; R498-F552 HydrophobicContact CG-CG 4.15Å; R498-D557 WeakPolarHBondContact CA-OD1 2.99Å; R498-D557 PolarHBondContact N-OD1 2.63Å |
| 499 | D | 88.4 | Confident | 90.5 | Very high | 38 Ų | 38 | 30.2 Ų | 30.2 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | trans | -146.2 | 37.8 | 179.2 | -166.6 | 23.1 | 0 | 0 | 0 | 111.2 | H497 A501 R503 N504 P538 | H497-D499 PolarHBondContact ND1-N 3.24Å; H497-D499 PolarHBondContact O-N 2.89Å; D499-A501 PolarHBondContact O-N 3.16Å; D499-R503 IonicContact OD1-CZ 3.97Å; D499-R503 IonicContact OD1-NH2 2.97Å; D499-R503 PolarHBondContact OD1-NH2 3.17Å; D499-N504 PolarHBondContact O-ND2 3.49Å; D499-N504 PolarHBondContact OD2-ND2 3.43Å; D499-P538 WeakPolarHBondContact OD1-CB 2.86Å; D499-P538 VanDerWaalsContact OD1-CG 3.23Å; D499-P538 WeakPolarHBondContact OD1-CG 3.43Å | ||
| 500 | L | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -66.2 | 123.4 | 175.6 | -178 | 65 | 0 | 0 | 0 | 110 | V483 M487 H497 V515 A560 Y561 L564 F622 | V483-L500 HydrophobicContact CG1-CD1 4.13Å; M487-L500 HydrophobicContact CE-CD2 4.13Å; M487-L500 HydrophobicContact CG-CD1 4.29Å; M487-L500 HydrophobicContact CG-CD2 3.87Å; M487-L500 HydrophobicContact SD-CD1 3.96Å; M487-L500 HydrophobicContact SD-CD2 3.99Å; M487-L500 HydrophobicContact SD-CG 4.48Å; H497-L500 PolarHBondContact ND1-N 2.85Å; L500-V515 HydrophobicContact CD1-CG1 4.02Å; L500-A560 HydrophobicContact CB-CB 4.05Å; L500-Y561 HydrophobicContact CD2-CD2 4.4Å; L500-L564 HydrophobicContact CD1-CD1 3.9Å; L500-L564 HydrophobicContact CG-CD1 3.99Å; L500-F622 HydrophobicContact CD2-CZ 4.2Å | ||
| 501 | A | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -166.1 | 161.6 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | D499 R503 N504 C505 W541 | D499-A501 PolarHBondContact O-N 3.16Å; A501-R503 HydrophobicContact CB-CG 3.98Å; A501-R503 PolarHBondContact O-N 3.01Å; A501-N504 CarbonylContact O-C 3.44Å; A501-N504 WeakPolarHBondContact O-CA 3.39Å; A501-N504 PolarHBondContact O-N 2.64Å; A501-C505 PolarHBondContact O-N 2.98Å; A501-W541 HydrophobicContact CB-CD2 4.21Å; A501-W541 HydrophobicContact CB-CG 4.2Å; A501-W541 HydrophobicContact CB-CZ2 4.39Å |
| 502 | A | 97.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -59.3 | -24.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L459 L460 N504 E567 | L459-A502 WeakPolarHBondContact CB-O 3.46Å; L459-A502 HydrophobicContact CD2-CB 4.35Å; L459-A502 HydrophobicContact CG-CB 4.4Å; L459-A502 PolarHBondContact N-O 3.22Å; L460-A502 HydrophobicContact CB-CB 4.06Å; L460-A502 PolarHBondContact N-O 3.42Å; A502-N504 VanDerWaalsContact C-N 3.28Å; A502-N504 PolarHBondContact O-N 2.95Å; A502-E567 HydrophobicContact CB-CB 4.1Å; A502-E567 PolarHBondContact N-OE2 3.05Å |
| 503 | R | 93.8 | Very high | 90.1 | Very high | 69 Ų | 69 | 30.7 Ų | 30.7 | 26% | 0.26 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -69.1 | -23.5 | 173.4 | 64.8 | 174.3 | 173.8 | -75.7 | -7.2 | 113.9 | C458 L460 D499 A501 P538 | C458-R503 WeakPolarHBondContact CB-O 3.21Å; L460-R503 HydrophobicContact CB-CB 4.48Å; L460-R503 HydrophobicContact CD2-CB 4.17Å; D499-R503 IonicContact OD1-CZ 3.97Å; D499-R503 IonicContact OD1-NH2 2.97Å; D499-R503 PolarHBondContact OD1-NH2 3.17Å; A501-R503 HydrophobicContact CB-CG 3.98Å; A501-R503 PolarHBondContact O-N 3.01Å; R503-P538 VanDerWaalsContact NH2-CB 3.32Å |
| 504 | N | 93.6 | Very high | 90.7 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -107.3 | 19.7 | -178.5 | -67.8 | -17 | 0 | 0 | 0 | 111.5 | D499 A501 A502 T516 | D499-N504 PolarHBondContact O-ND2 3.49Å; D499-N504 PolarHBondContact OD2-ND2 3.43Å; A501-N504 CarbonylContact O-C 3.44Å; A501-N504 WeakPolarHBondContact O-CA 3.39Å; A501-N504 PolarHBondContact O-N 2.64Å; A502-N504 VanDerWaalsContact C-N 3.28Å; A502-N504 PolarHBondContact O-N 2.95Å; N504-T516 VanDerWaalsContact O-CG2 3.28Å; N504-T516 WeakPolarHBondContact O-CG2 3.09Å; N504-T516 PolarHBondContact O-N 3.37Å |
| 505 | C | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 141.1 | 163.5 | -59 | 0 | 0 | 0 | 0 | 108 | C458 L459 A501 V513 K514 | C458-C505 CarbonylContact C-O 3.54Å; C458-C505 WeakPolarHBondContact CA-O 3.33Å; C458-C505 WeakPolarHBondContact CB-O 3.42Å; L459-C505 HydrophobicContact CB-CB 3.88Å; L459-C505 HydrophobicContact CD2-CB 4.07Å; L459-C505 PolarHBondContact N-O 2.97Å; A501-C505 PolarHBondContact O-N 2.98Å; C505-V513 HydrophobicContact CB-CG1 3.7Å; C505-K514 CarbonylContact C-O 3.55Å; C505-K514 WeakPolarHBondContact CA-O 3.42Å |
| 506 | L | 95.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 24.5 Ų | 24.5 | 17% | 0.168 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 155.5 | 177.4 | -62.4 | -173.7 | 0 | 0 | 0 | 110.1 | V435 L454 G457 C458 V513 K514 T516 | V435-L506 HydrophobicContact CG2-CB 4.32Å; V435-L506 HydrophobicContact CG2-CD1 4.01Å; V435-L506 HydrophobicContact CG2-CG 4.37Å; L454-L506 HydrophobicContact CB-CB 3.96Å; L454-L506 HydrophobicContact CB-CD1 4.26Å; L454-L506 HydrophobicContact CD1-CD1 4.45Å; L454-L506 HydrophobicContact CD2-CB 3.47Å; L454-L506 VanDerWaalsContact CD2-CB 3.47Å; L454-L506 HydrophobicContact CG-CB 4.21Å; G457-L506 CarbonylContact O-C 3.54Å; G457-L506 VanDerWaalsContact O-CA 3.31Å; G457-L506 WeakPolarHBondContact O-CA 3.45Å; C458-L506 HydrophobicContact CB-CD2 3.9Å; L506-V513 CarbonylContact O-C 3.59Å; L506-V513 WeakPolarHBondContact O-CA 3.31Å; L506-K514 PolarHBondContact N-O 3.25Å; L506-K514 PolarHBondContact O-N 2.94Å; L506-T516 HydrophobicContact CD1-CG2 4.14Å; L506-T516 HydrophobicContact CD2-CG2 4.22Å; L506-T516 HydrophobicContact CG-CG2 3.71Å |
| 507 | V | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.6 | -178.5 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | L454 N456 G457 L459 Y462 T512 V513 | L454-V507 WeakPolarHBondContact CB-O 3.37Å; N456-V507 HydrophobicContact CB-CB 3.86Å; N456-V507 HydrophobicContact CB-CG1 4.02Å; N456-V507 WeakPolarHBondContact CB-O 3.43Å; N456-V507 PolarHBondContact N-O 3.14Å; G457-V507 PolarHBondContact O-N 3Å; L459-V507 HydrophobicContact CB-CG2 4.07Å; L459-V507 HydrophobicContact CD1-CG2 3.9Å; Y462-V507 HydrophobicContact CD1-CB 4.44Å; Y462-V507 HydrophobicContact CD1-CG1 4.12Å; Y462-V507 HydrophobicContact CD1-CG2 3.91Å; Y462-V507 HydrophobicContact CD2-CB 4.49Å; Y462-V507 HydrophobicContact CD2-CG1 4.34Å; Y462-V507 HydrophobicContact CE1-CG1 4.03Å; Y462-V507 HydrophobicContact CE2-CG1 4.27Å; Y462-V507 HydrophobicContact CG-CB 4.26Å; Y462-V507 HydrophobicContact CG-CG1 4.27Å; Y462-V507 HydrophobicContact CG-CG2 3.92Å; V507-T512 WeakPolarHBondContact CA-O 3.2Å; V507-V513 HydrophobicContact CG2-CG2 4.45Å |
| 508 | D | 89.3 | Confident | 89.8 | Confident | 25 Ų | 25 | 26.8 Ų | 26.8 | 13% | 0.134 | 15% | 0.15 | C | C | . | . | trans | -77.3 | 180 | 178.3 | 89.8 | -14.5 | 0 | 0 | 0 | 111.7 | L454 N456 N510 G511 T512 | L454-D508 HydrophobicContact CD2-CB 4.12Å; L454-D508 HydrophobicContact CG-CB 4.28Å; N456-D508 PolarHBondContact ND2-O 2.83Å; D508-N510 PolarHBondContact O-N 2.83Å; D508-N510 WeakPolarHBondContact OD1-CA 3.28Å; D508-N510 PolarHBondContact OD1-N 2.66Å; D508-N510 PolarHBondContact OD2-ND2 3.09Å; D508-G511 PolarHBondContact O-N 3.32Å; D508-G511 PolarHBondContact OD1-N 3.28Å; D508-T512 PolarHBondContact N-O 3.05Å; D508-T512 WeakPolarHBondContact OD1-CB 3.14Å; D508-T512 PolarHBondContact OD1-N 3.24Å | ||
| 509 | A | 85.8 | Confident | 88.1 | Confident | 79 Ų | 79 | 24.9 Ų | 24.9 | 65% | 0.653 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 510 | N | 84.1 | Confident | 86.3 | Confident | 109 Ų | 109 | 25.6 Ų | 25.6 | 58% | 0.583 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -8.5 | 179.6 | -51.1 | -57.5 | 0 | 0 | 0 | 112.3 | R360 D508 | R360-N510 PolarHBondContact NH1-OD1 2.98Å; D508-N510 PolarHBondContact O-N 2.83Å; D508-N510 WeakPolarHBondContact OD1-CA 3.28Å; D508-N510 PolarHBondContact OD1-N 2.66Å; D508-N510 PolarHBondContact OD2-ND2 3.09Å |
| 511 | G | 85.9 | Confident | 84.3 | Confident | 21 Ų | 21 | 25.8 Ų | 25.8 | 22% | 0.216 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 95.2 | 4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D508 | D508-G511 PolarHBondContact O-N 3.32Å; D508-G511 PolarHBondContact OD1-N 3.28Å |
| 512 | T | 91.6 | Very high | 82.3 | Confident | 32 Ų | 32 | 30.4 Ų | 30.4 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | trans | -70.9 | 136 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 110 | D482 V507 D508 | D482-T512 WeakPolarHBondContact OD2-CA 3.49Å; V507-T512 WeakPolarHBondContact CA-O 3.2Å; D508-T512 PolarHBondContact N-O 3.05Å; D508-T512 WeakPolarHBondContact OD1-CB 3.14Å; D508-T512 PolarHBondContact OD1-N 3.24Å | ||
| 513 | V | 96.4 | Very high | 79.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.2 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | N433 L459 M479 D482 V483 C505 L506 V507 | N433-V513 PolarHBondContact ND2-O 3.3Å; L459-V513 HydrophobicContact CD1-CG2 4.08Å; L459-V513 HydrophobicContact CD2-CG1 4.07Å; M479-V513 HydrophobicContact CB-CG2 3.77Å; M479-V513 HydrophobicContact CG-CG2 3.75Å; D482-V513 HydrophobicContact CB-CB 3.88Å; D482-V513 WeakPolarHBondContact CB-O 3.24Å; D482-V513 PolarHBondContact OD2-N 3.25Å; V483-V513 HydrophobicContact CG2-CB 4.29Å; V483-V513 HydrophobicContact CG2-CG1 3.54Å; C505-V513 HydrophobicContact CB-CG1 3.7Å; L506-V513 CarbonylContact O-C 3.59Å; L506-V513 WeakPolarHBondContact O-CA 3.31Å; V507-V513 HydrophobicContact CG2-CG2 4.45Å |
| 514 | K | 95.9 | Very high | 77.2 | Confident | 24 Ų | 24 | 33.4 Ų | 33.4 | 10% | 0.104 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.7 | 174.4 | -56.2 | -165.1 | -179.4 | -170.5 | 0 | 111.1 | E432 N433 V435 E452 L454 C505 L506 | E432-K514 WeakPolarHBondContact O-CD 2.88Å; E432-K514 WeakPolarHBondContact O-CE 3.42Å; N433-K514 CarbonylContact O-C 3.54Å; N433-K514 WeakPolarHBondContact O-CA 3.49Å; V435-K514 HydrophobicContact CG2-CB 3.7Å; E452-K514 VanDerWaalsContact CD-NZ 3.31Å; E452-K514 IonicContact OE1-NZ 3.85Å; E452-K514 PolarHBondContact OE1-NZ 2.97Å; E452-K514 IonicContact OE2-NZ 3.95Å; E452-K514 PolarHBondContact OE2-NZ 3.48Å; L454-K514 HydrophobicContact CD2-CB 4.02Å; L454-K514 HydrophobicContact CD2-CD 4.02Å; L454-K514 HydrophobicContact CD2-CG 4.01Å; C505-K514 CarbonylContact C-O 3.55Å; C505-K514 WeakPolarHBondContact CA-O 3.42Å; L506-K514 PolarHBondContact N-O 3.25Å; L506-K514 PolarHBondContact O-N 2.94Å |
| 515 | V | 94.9 | Very high | 74.1 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 133.3 | 175.6 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | N433 L434 V435 V483 M487 H497 L500 | N433-V515 PolarHBondContact O-N 3.25Å; L434-V515 HydrophobicContact CD2-CB 3.75Å; L434-V515 HydrophobicContact CD2-CG2 4.39Å; V435-V515 PolarHBondContact N-O 2.93Å; V483-V515 HydrophobicContact CB-CG2 4.44Å; V483-V515 HydrophobicContact CG1-CG2 4.01Å; V483-V515 HydrophobicContact CG2-CG2 4.49Å; M487-V515 HydrophobicContact CG-CG2 4.43Å; M487-V515 HydrophobicContact SD-CG1 4.2Å; H497-V515 WeakPolarHBondContact CD2-CG1 3.3Å; H497-V515 VanDerWaalsContact NE2-CG1 3.3Å; H497-V515 WeakPolarHBondContact NE2-CG1 3.34Å; L500-V515 HydrophobicContact CD1-CG1 4.02Å |
| 516 | T | 89.1 | Confident | 71.3 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | trans | -124.9 | -180 | -179.9 | -161.5 | 0 | 0 | 0 | 0 | 111.2 | H497 N504 L506 F518 | H497-T516 PolarHBondContact NE2-O 3.5Å; H497-T516 VanDerWaalsContact NE2-O 3.09Å; N504-T516 VanDerWaalsContact O-CG2 3.28Å; N504-T516 WeakPolarHBondContact O-CG2 3.09Å; N504-T516 PolarHBondContact O-N 3.37Å; L506-T516 HydrophobicContact CD1-CG2 4.14Å; L506-T516 HydrophobicContact CD2-CG2 4.22Å; L506-T516 HydrophobicContact CG-CG2 3.71Å; T516-F518 PolarHBondContact O-N 3.2Å | ||
| 517 | D | 75.3 | Confident | 68.8 | Low | 46 Ų | 46 | 44.7 Ų | 44.7 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | trans | 57.2 | 19.1 | 176.2 | -81 | -0.7 | 0 | 0 | 0 | 114.8 | K407 G519 | K407-D517 IonicContact NZ-OD1 2.75Å; K407-D517 PolarHBondContact NZ-OD1 3.05Å; K407-D517 IonicContact NZ-OD2 3.65Å; K407-D517 PolarHBondContact NZ-OD2 3.43Å; D517-G519 PolarHBondContact O-N 2.53Å | ||
| 518 | F | 60.1 | Low | 66.5 | Low | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -68.4 | 4.7 | 163.3 | 63.6 | -95.1 | 0 | 0 | 0 | 112.6 | M426 L429 L434 V435 L490 T516 L520 S521 | M426-F518 HydrophobicContact CB-CE2 4.4Å; M426-F518 HydrophobicContact CE-CD2 3.87Å; M426-F518 HydrophobicContact CE-CE2 3.76Å; M426-F518 HydrophobicContact CG-CD2 4.48Å; M426-F518 HydrophobicContact CG-CE2 4.46Å; L429-F518 HydrophobicContact CB-CE2 4.39Å; L429-F518 HydrophobicContact CD1-CD2 3.99Å; L429-F518 HydrophobicContact CD1-CE2 3.95Å; L434-F518 HydrophobicContact CB-CE1 4.19Å; L434-F518 HydrophobicContact CD2-CD1 4.46Å; L434-F518 HydrophobicContact CD2-CE1 4.47Å; V435-F518 WeakPolarHBondContact O-CE1 3.23Å; V435-F518 WeakPolarHBondContact O-CZ 3.33Å; L490-F518 HydrophobicContact CD1-CB 4.21Å; T516-F518 PolarHBondContact O-N 3.2Å; F518-L520 PolarHBondContact O-N 3.34Å; F518-S521 VanDerWaalsContact C-OG 3.24Å; F518-S521 WeakPolarHBondContact CA-OG 3.4Å; F518-S521 VanDerWaalsContact CB-OG 3.31Å; F518-S521 WeakPolarHBondContact CB-OG 3.35Å; F518-S521 WeakPolarHBondContact O-CB 3.37Å; F518-S521 PolarHBondContact O-N 3.47Å; F518-S521 VanDerWaalsContact O-N 3.16Å; F518-S521 PolarHBondContact O-OG 3.36Å |
| 519 | G | 50.4 | Low | 64.9 | Low | 12 Ų | 12 | 51.2 Ų | 51.2 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -81.1 | 9.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | M426 D517 | M426-G519 WeakPolarHBondContact SD-CA 2.89Å; D517-G519 PolarHBondContact O-N 2.53Å |
| 520 | L | 51.8 | Low | 63.5 | Low | 54 Ų | 54 | 50 Ų | 50 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -121.1 | 5.7 | 165.8 | -59.4 | 169.5 | 0 | 0 | 0 | 110.7 | F390 M414 R498 F518 | F390-L520 HydrophobicContact CD1-CD1 3.6Å; F390-L520 HydrophobicContact CD2-CD1 3.57Å; F390-L520 HydrophobicContact CE1-CD1 3.51Å; F390-L520 HydrophobicContact CE2-CD1 3.48Å; F390-L520 VanDerWaalsContact CE2-CD1 3.48Å; F390-L520 HydrophobicContact CG-CD1 3.63Å; F390-L520 HydrophobicContact CZ-CD1 3.45Å; F390-L520 VanDerWaalsContact CZ-CD1 3.45Å; M414-L520 HydrophobicContact CE-CD2 4.12Å; R498-L520 PolarHBondContact NH1-O 2.83Å; F518-L520 PolarHBondContact O-N 3.34Å |
| 521 | S | 52.3 | Low | 62 | Low | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 143.9 | 170.6 | -56.8 | 0 | 0 | 0 | 0 | 109.4 | I496 H497 F518 | I496-S521 WeakPolarHBondContact O-CA 3.22Å; I496-S521 WeakPolarHBondContact O-CB 3.27Å; I496-S521 PolarHBondContact O-OG 3.01Å; H497-S521 WeakPolarHBondContact CA-OG 3.21Å; F518-S521 VanDerWaalsContact C-OG 3.24Å; F518-S521 WeakPolarHBondContact CA-OG 3.4Å; F518-S521 VanDerWaalsContact CB-OG 3.31Å; F518-S521 WeakPolarHBondContact CB-OG 3.35Å; F518-S521 WeakPolarHBondContact O-CB 3.37Å; F518-S521 PolarHBondContact O-N 3.47Å; F518-S521 VanDerWaalsContact O-N 3.16Å; F518-S521 PolarHBondContact O-OG 3.36Å |
| 522 | R | 53.5 | Low | 60 | Low | 97 Ų | 97 | 48.6 Ų | 48.6 | 37% | 0.366 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 136.9 | 173.7 | -69.9 | -167.2 | -164.8 | -144.7 | -4 | 109.7 | I496 V524 Y529 | I496-R522 PolarHBondContact N-O 3.49Å; I496-R522 PolarHBondContact O-N 2.97Å; R522-V524 HydrophobicContact CB-CG2 3.91Å; R522-V524 PolarHBondContact O-N 3.31Å; R522-Y529 VanDerWaalsContact CZ-CE2 3.4Å; R522-Y529 VanDerWaalsContact NE-CZ 3.29Å; R522-Y529 VanDerWaalsContact NH1-CZ 3.32Å; R522-Y529 PolarHBondContact NH1-OH 3.36Å; R522-Y529 PolarHBondContact NH2-OH 2.97Å |
| 523 | Y | 41.8 | Very low | 57.5 | Low | 117 Ų | 117 | 52.1 Ų | 52.1 | 46% | 0.459 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 124.8 | 160.4 | -178.1 | -107.8 | 0 | 0 | 0 | 109.1 | Q494 Y495 L525 | Q494-Y523 HydrophobicContact CB-CE2 4.15Å; Y495-Y523 HydrophobicContact CD2-CD2 4.05Å; Y495-Y523 AromaticContact CE2-CD2 3.68Å; Y495-Y523 HydrophobicContact CE2-CD2 3.68Å; Y495-Y523 HydrophobicContact CE2-CG 4.39Å; Y523-L525 HydrophobicContact CE1-CD1 4.43Å; Y523-L525 HydrophobicContact CE1-CD2 3.88Å; Y523-L525 HydrophobicContact CE1-CG 3.75Å; Y523-L525 VanDerWaalsContact OH-CD2 3.24Å; Y523-L525 WeakPolarHBondContact OH-CD2 3.37Å |
| 524 | V | 43.2 | Very low | 55 | Low | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.097 | 32% | 0.323 | C | S | . | . | trans | -137.7 | 111.8 | -176.6 | -176.7 | 0 | 0 | 0 | 0 | 109 | Q494 I496 R522 D526 D527 E528 | Q494-V524 PolarHBondContact O-N 3.05Å; I496-V524 HydrophobicContact CD1-CB 3.89Å; I496-V524 HydrophobicContact CD1-CG1 4.31Å; I496-V524 HydrophobicContact CD1-CG2 3.8Å; R522-V524 HydrophobicContact CB-CG2 3.91Å; R522-V524 PolarHBondContact O-N 3.31Å; V524-D526 VanDerWaalsContact C-N 3.25Å; V524-D526 PolarHBondContact O-N 3.5Å; V524-D527 PolarHBondContact O-N 2.88Å; V524-E528 VanDerWaalsContact CG1-O 3.31Å; V524-E528 WeakPolarHBondContact CG1-O 3.44Å | ||
| 525 | L | 29.2 | Very low | 53 | Low | 124 Ų | 124 | 56.5 Ų | 56.5 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -26.9 | -177.6 | -76.7 | 160.2 | 0 | 0 | 0 | 113.9 | Y523 | Y523-L525 HydrophobicContact CE1-CD1 4.43Å; Y523-L525 HydrophobicContact CE1-CD2 3.88Å; Y523-L525 HydrophobicContact CE1-CG 3.75Å; Y523-L525 VanDerWaalsContact OH-CD2 3.24Å; Y523-L525 WeakPolarHBondContact OH-CD2 3.37Å |
| 526 | D | 37.1 | Very low | 51.4 | Low | 114 Ų | 114 | 65.3 Ų | 65.3 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | 19.4 | -175 | -63.9 | -28.1 | 0 | 0 | 0 | 112.8 | V524 E528 | V524-D526 VanDerWaalsContact C-N 3.25Å; V524-D526 PolarHBondContact O-N 3.5Å; D526-E528 PolarHBondContact O-N 2.92Å |
| 527 | D | 42 | Very low | 50.6 | Low | 44 Ų | 44 | 67.2 Ų | 67.2 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 49.2 | 16.2 | 179.8 | -164.7 | 31.1 | 0 | 0 | 0 | 116 | V524 S553 S554 | V524-D527 PolarHBondContact O-N 2.88Å; D527-S553 WeakPolarHBondContact O-CA 3.44Å; D527-S553 WeakPolarHBondContact O-CB 3.49Å; D527-S554 VanDerWaalsContact CG-OG 3.31Å; D527-S554 WeakPolarHBondContact OD1-CB 3.37Å; D527-S554 PolarHBondContact OD1-N 3.31Å; D527-S554 PolarHBondContact OD1-OG 3.01Å; D527-S554 WeakPolarHBondContact OD2-CB 3.45Å; D527-S554 PolarHBondContact OD2-OG 3.14Å |
| 528 | E | 47.3 | Very low | 51.2 | Low | 131 Ų | 131 | 66.1 Ų | 66.1 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | trans | -133.2 | 126.8 | 176.9 | -75 | -159.4 | 157 | 0 | 0 | 111.5 | V524 D526 F552 | V524-E528 VanDerWaalsContact CG1-O 3.31Å; V524-E528 WeakPolarHBondContact CG1-O 3.44Å; D526-E528 PolarHBondContact O-N 2.92Å; E528-F552 CarbonylContact C-O 3.57Å; E528-F552 WeakPolarHBondContact CA-O 3.29Å | ||
| 529 | Y | 55.5 | Low | 52.7 | Low | 32 Ų | 32 | 66.9 Ų | 66.9 | 13% | 0.125 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 121.4 | 177.9 | 174.4 | -105.5 | 0 | 0 | 0 | 111.4 | R522 S531 F552 | R522-Y529 VanDerWaalsContact CZ-CE2 3.4Å; R522-Y529 VanDerWaalsContact NE-CZ 3.29Å; R522-Y529 VanDerWaalsContact NH1-CZ 3.32Å; R522-Y529 PolarHBondContact NH1-OH 3.36Å; R522-Y529 PolarHBondContact NH2-OH 2.97Å; Y529-S531 WeakPolarHBondContact OH-CA 3.32Å; Y529-F552 HydrophobicContact CD1-CB 4.29Å; Y529-F552 HydrophobicContact CD1-CD2 4.01Å; Y529-F552 HydrophobicContact CD1-CG 4.46Å; Y529-F552 HydrophobicContact CE1-CD2 4.42Å; Y529-F552 PolarHBondContact N-O 3.17Å; Y529-F552 PolarHBondContact O-N 3.43Å |
| 530 | T | 56.6 | Low | 54.9 | Low | 54 Ų | 54 | 67.9 Ų | 67.9 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.3 | 172.3 | -41 | 0 | 0 | 0 | 0 | 110.1 | K18 C550 | K18-T530 PolarHBondContact NZ-OG1 3.07Å; T530-C550 WeakPolarHBondContact CA-O 3.26Å |
| 531 | S | 52.1 | Low | 57.1 | Low | 13 Ų | 13 | 66.4 Ų | 66.4 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 153.5 | 177.2 | -156.6 | 0 | 0 | 0 | 0 | 112.8 | Y529 S535 C550 | Y529-S531 WeakPolarHBondContact OH-CA 3.32Å; S531-S535 WeakPolarHBondContact CB-OG 3.42Å; S531-S535 WeakPolarHBondContact OG-CB 3.47Å; S531-S535 PolarHBondContact OG-OG 2.75Å; S531-C550 PolarHBondContact N-O 2.9Å |
| 532 | S | 45 | Very low | 59.1 | Low | 87 Ų | 87 | 66.6 Ų | 66.6 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 140.4 | 173.6 | 49.6 | 0 | 0 | 0 | 0 | 111 | G534 S535 | S532-G534 PolarHBondContact O-N 3.27Å; S532-S535 PolarHBondContact O-N 2.99Å; S532-S535 PolarHBondContact O-OG 2.72Å |
| 533 | A | 38.4 | Very low | 61.1 | Low | 106 Ų | 106 | 62.1 Ų | 62.1 | 88% | 0.876 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 128.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 534 | G | 44.5 | Very low | 63.6 | Low | 80 Ų | 80 | 57.2 Ų | 57.2 | 83% | 0.825 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | 1.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S532 | S532-G534 PolarHBondContact O-N 3.27Š|
| 535 | S | 53 | Low | 66 | Low | 36 Ų | 36 | 57.8 Ų | 57.8 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | trans | -70.9 | 134.6 | 171.5 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | S531 S532 F537 | S531-S535 WeakPolarHBondContact CB-OG 3.42Å; S531-S535 WeakPolarHBondContact OG-CB 3.47Å; S531-S535 PolarHBondContact OG-OG 2.75Å; S532-S535 PolarHBondContact O-N 2.99Å; S532-S535 PolarHBondContact O-OG 2.72Å; S535-F537 VanDerWaalsContact O-CD1 3.28Å; S535-F537 WeakPolarHBondContact O-CD1 3.49Å | ||
| 536 | K | 62 | Low | 69 | Low | 184 Ų | 184 | 51.9 Ų | 51.9 | 80% | 0.8 | 30% | 0.304 | S | S | * | . | trans | -76.8 | 128.9 | 175.5 | -65.2 | -176.8 | 179.9 | -179.3 | 0 | 109.3 | ||||
| 537 | F | 72.7 | Confident | 71.5 | Confident | 56 Ų | 56 | 47.3 Ų | 47.3 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | trans | -138.1 | 159.2 | 178.3 | 57.2 | -100.2 | 0 | 0 | 0 | 111.1 | S535 V539 V546 L547 F552 | S535-F537 VanDerWaalsContact O-CD1 3.28Å; S535-F537 WeakPolarHBondContact O-CD1 3.49Å; F537-V539 HydrophobicContact CD2-CG2 4.39Å; F537-V539 HydrophobicContact CE2-CG2 4.07Å; F537-V539 PolarHBondContact O-N 2.76Å; F537-V546 HydrophobicContact CD2-CG1 4.15Å; F537-V546 HydrophobicContact CE2-CG1 4.42Å; F537-V546 HydrophobicContact CG-CG1 4.43Å; F537-L547 HydrophobicContact CE2-CD2 3.77Å; F537-F552 HydrophobicContact CB-CZ 4.04Å; F537-F552 HydrophobicContact CG-CZ 4.46Å | ||
| 538 | P | 87.5 | Confident | 73.6 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | trans | -77.8 | 86.5 | -173.6 | 35 | -41.4 | 0 | 0 | 0 | 112.1 | D499 R503 R540 W541 S542 | D499-P538 WeakPolarHBondContact OD1-CB 2.86Å; D499-P538 VanDerWaalsContact OD1-CG 3.23Å; D499-P538 WeakPolarHBondContact OD1-CG 3.43Å; R503-P538 VanDerWaalsContact NH2-CB 3.32Å; P538-R540 VanDerWaalsContact C-N 3.26Å; P538-R540 PolarHBondContact O-N 3.32Å; P538-W541 HydrophobicContact CB-CB 4.4Å; P538-W541 HydrophobicContact CB-CE3 3.95Å; P538-W541 HydrophobicContact CG-CB 4.42Å; P538-W541 PolarHBondContact O-N 3.3Å; P538-S542 PolarHBondContact O-N 3.18Å; P538-S542 PolarHBondContact O-OG 2.88Å | ||
| 539 | V | 92.1 | Very high | 75.4 | Confident | 21 Ų | 21 | 50 Ų | 50 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -46 | -43.9 | -174.5 | 176.3 | 0 | 0 | 0 | 0 | 113.8 | F537 W541 S542 L547 N581 I584 V585 | F537-V539 HydrophobicContact CD2-CG2 4.39Å; F537-V539 HydrophobicContact CE2-CG2 4.07Å; F537-V539 PolarHBondContact O-N 2.76Å; V539-W541 VanDerWaalsContact C-N 3.26Å; V539-W541 PolarHBondContact O-N 2.96Å; V539-S542 PolarHBondContact O-N 2.89Å; V539-L547 HydrophobicContact CB-CD2 4.46Å; V539-L547 HydrophobicContact CG1-CD2 4Å; V539-N581 HydrophobicContact CB-CB 4.31Å; V539-N581 HydrophobicContact CG1-CB 4.01Å; V539-N581 HydrophobicContact CG2-CB 4.23Å; V539-I584 HydrophobicContact CG1-CB 4.29Å; V539-I584 HydrophobicContact CG1-CG2 4.03Å; V539-V585 HydrophobicContact CG1-CG2 4.14Å |
| 540 | R | 95.9 | Very high | 76.7 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -71.5 | -17.4 | -175.4 | -52.4 | 179.5 | 169 | -80.1 | -7 | 114.5 | P538 P575 Y576 L579 I584 | P538-R540 VanDerWaalsContact C-N 3.26Å; P538-R540 PolarHBondContact O-N 3.32Å; R540-P575 HydrophobicContact CB-CB 4.34Å; R540-P575 WeakPolarHBondContact CD-O 3.2Å; R540-P575 PolarHBondContact NH1-O 3.07Å; R540-Y576 PolarHBondContact NH1-O 3.41Å; R540-L579 PolarHBondContact NH1-O 3.37Å; R540-L579 PolarHBondContact NH2-O 3.42Å; R540-I584 HydrophobicContact CG-CD1 3.83Å |
| 541 | W | 96.9 | Very high | 78 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 9% | 0.087 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -106.9 | -1.6 | 178.6 | -68.1 | -100.7 | 0 | 0 | 0 | 112.3 | A501 P538 V539 W559 A560 V563 E567 L574 P575 | A501-W541 HydrophobicContact CB-CD2 4.21Å; A501-W541 HydrophobicContact CB-CG 4.2Å; A501-W541 HydrophobicContact CB-CZ2 4.39Å; P538-W541 HydrophobicContact CB-CB 4.4Å; P538-W541 HydrophobicContact CB-CE3 3.95Å; P538-W541 HydrophobicContact CG-CB 4.42Å; P538-W541 PolarHBondContact O-N 3.3Å; V539-W541 VanDerWaalsContact C-N 3.26Å; V539-W541 PolarHBondContact O-N 2.96Å; W541-W559 VanDerWaalsContact O-CD1 3.28Å; W541-A560 HydrophobicContact CB-CB 4.41Å; W541-V563 VanDerWaalsContact CD1-CG1 3.43Å; W541-V563 HydrophobicContact CG-CB 4.46Å; W541-V563 HydrophobicContact CG-CG1 4Å; W541-E567 WeakPolarHBondContact CZ2-OE1 2.88Å; W541-E567 PolarHBondContact NE1-OE2 3.46Å; W541-L574 HydrophobicContact CH2-CD1 4.18Å; W541-P575 HydrophobicContact CZ2-CG 3.97Å |
| 542 | S | 95.1 | Very high | 79.6 | Confident | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | trans | -93.7 | 137.4 | -172.3 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | P538 V539 | P538-S542 PolarHBondContact O-N 3.18Å; P538-S542 PolarHBondContact O-OG 2.88Å; V539-S542 PolarHBondContact O-N 2.89Å | ||
| 543 | P | 96.3 | Very high | 81.8 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | trans | -75.6 | 164.7 | 173.9 | 34 | -40.2 | 0 | 0 | 0 | 112.5 | E545 V546 L547 W559 | P543-E545 VanDerWaalsContact C-N 3.29Å; P543-E545 WeakPolarHBondContact CB-OE1 3.5Å; P543-E545 WeakPolarHBondContact CB-OE2 3.33Å; P543-E545 HydrophobicContact CG-CG 4.43Å; P543-E545 WeakPolarHBondContact CG-OE1 3.43Å; P543-E545 PolarHBondContact O-N 3.17Å; P543-E545 VanDerWaalsContact O-N 3.17Å; P543-V546 HydrophobicContact CG-CB 4Å; P543-V546 HydrophobicContact CG-CG2 3.61Å; P543-V546 PolarHBondContact O-N 3.25Å; P543-L547 WeakPolarHBondContact O-CG 3.42Å; P543-L547 PolarHBondContact O-N 2.78Å; P543-W559 HydrophobicContact CB-CB 3.85Å; P543-W559 HydrophobicContact CB-CD2 3.51Å; P543-W559 HydrophobicContact CB-CE3 3.7Å; P543-W559 HydrophobicContact CB-CG 3.58Å; P543-W559 HydrophobicContact CB-CZ3 4.39Å; P543-W559 HydrophobicContact CG-CB 4.24Å; P543-W559 HydrophobicContact CG-CG 4.3Å | ||
| 544 | P | 94.3 | Very high | 84.4 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -49.9 | -41.9 | -179.4 | -27.7 | 33.4 | 0 | 0 | 0 | 114.7 | V546 L547 L548 W559 V588 | P544-V546 VanDerWaalsContact C-N 3.33Å; P544-V546 PolarHBondContact O-N 2.98Å; P544-L547 PolarHBondContact O-N 3.43Å; P544-L548 WeakPolarHBondContact O-CB 3.38Å; P544-L548 VanDerWaalsContact O-CG 3.28Å; P544-L548 WeakPolarHBondContact O-CG 3.48Å; P544-L548 PolarHBondContact O-N 2.77Å; P544-W559 HydrophobicContact CG-CH2 4.17Å; P544-W559 HydrophobicContact CG-CZ3 4.39Å; P544-V588 HydrophobicContact CG-CG1 4.15Å |
| 545 | E | 93.6 | Very high | 86.9 | Confident | 28 Ų | 28 | 40.3 Ų | 40.3 | 13% | 0.131 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.7 | -27.5 | -179.1 | 69.8 | -78.1 | -179.3 | 0 | 0 | 113.8 | P543 Y549 C550 K551 R619 | P543-E545 VanDerWaalsContact C-N 3.29Å; P543-E545 WeakPolarHBondContact CB-OE1 3.5Å; P543-E545 WeakPolarHBondContact CB-OE2 3.33Å; P543-E545 HydrophobicContact CG-CG 4.43Å; P543-E545 WeakPolarHBondContact CG-OE1 3.43Å; P543-E545 PolarHBondContact O-N 3.17Å; P543-E545 VanDerWaalsContact O-N 3.17Å; E545-Y549 HydrophobicContact CB-CD2 4.44Å; E545-Y549 CarbonylContact O-C 3.53Å; E545-Y549 WeakPolarHBondContact O-CA 3.47Å; E545-Y549 WeakPolarHBondContact O-CB 3.18Å; E545-Y549 PolarHBondContact O-N 3.31Å; E545-Y549 VanDerWaalsContact O-N 3.07Å; E545-C550 PolarHBondContact O-N 3.47Å; E545-K551 HydrophobicContact CB-CB 4.47Å; E545-K551 HydrophobicContact CG-CB 4.41Å; E545-K551 PolarHBondContact O-N 3.21Å; E545-R619 IonicContact OE1-CZ 2.99Å; E545-R619 IonicContact OE1-NH1 2.65Å; E545-R619 PolarHBondContact OE1-NH1 2.93Å; E545-R619 IonicContact OE1-NH2 3.23Å; E545-R619 PolarHBondContact OE1-NH2 3.43Å; E545-R619 VanDerWaalsContact OE1-NH2 3.13Å; E545-R619 IonicContact OE2-CZ 3.03Å; E545-R619 IonicContact OE2-NH1 2.75Å; E545-R619 IonicContact OE2-NH2 2.86Å; E545-R619 PolarHBondContact OE2-NH2 3.46Å |
| 546 | V | 91.2 | Very high | 88.9 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -74.1 | -46.2 | 169.6 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | F537 P543 P544 L548 C550 K551 F552 | F537-V546 HydrophobicContact CD2-CG1 4.15Å; F537-V546 HydrophobicContact CE2-CG1 4.42Å; F537-V546 HydrophobicContact CG-CG1 4.43Å; P543-V546 HydrophobicContact CG-CB 4Å; P543-V546 HydrophobicContact CG-CG2 3.61Å; P543-V546 PolarHBondContact O-N 3.25Å; P544-V546 VanDerWaalsContact C-N 3.33Å; P544-V546 PolarHBondContact O-N 2.98Å; V546-L548 VanDerWaalsContact C-N 3.35Å; V546-L548 PolarHBondContact O-N 2.79Å; V546-C550 WeakPolarHBondContact O-CA 3.45Å; V546-C550 PolarHBondContact O-N 2.65Å; V546-K551 WeakPolarHBondContact CG2-O 3.5Å; V546-F552 HydrophobicContact CG1-CD1 4.29Å; V546-F552 HydrophobicContact CG1-CE1 3.63Å; V546-F552 HydrophobicContact CG1-CE2 4.18Å; V546-F552 HydrophobicContact CG1-CZ 3.56Å; V546-F552 HydrophobicContact CG2-CD1 3.97Å; V546-F552 HydrophobicContact CG2-CE1 4.14Å; V546-F552 HydrophobicContact CG2-CG 4.29Å |
| 547 | L | 89.9 | Confident | 90.6 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 9% | 0.094 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | -178.1 | -64.4 | 178.2 | 0 | 0 | 0 | 112.5 | F537 V539 P543 P544 V585 V588 | F537-L547 HydrophobicContact CE2-CD2 3.77Å; V539-L547 HydrophobicContact CB-CD2 4.46Å; V539-L547 HydrophobicContact CG1-CD2 4Å; P543-L547 WeakPolarHBondContact O-CG 3.42Å; P543-L547 PolarHBondContact O-N 2.78Å; P544-L547 PolarHBondContact O-N 3.43Å; L547-V585 HydrophobicContact CB-CG1 4.46Å; L547-V585 HydrophobicContact CB-CG2 4.43Å; L547-V585 HydrophobicContact CD1-CG2 4.41Å; L547-V585 HydrophobicContact CD2-CG2 4.14Å; L547-V588 HydrophobicContact CD1-CB 4.38Å; L547-V588 HydrophobicContact CD1-CG1 4.28Å |
| 548 | L | 86.2 | Confident | 91.8 | Very high | 85 Ų | 85 | 27.5 Ų | 27.5 | 45% | 0.445 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -91.6 | -35.3 | -174.1 | -62.7 | 174.1 | 0 | 0 | 0 | 113 | P544 V546 V585 | P544-L548 WeakPolarHBondContact O-CB 3.38Å; P544-L548 VanDerWaalsContact O-CG 3.28Å; P544-L548 WeakPolarHBondContact O-CG 3.48Å; P544-L548 PolarHBondContact O-N 2.77Å; V546-L548 VanDerWaalsContact C-N 3.35Å; V546-L548 PolarHBondContact O-N 2.79Å; L548-V585 HydrophobicContact CD2-CG1 4.44Å |
| 549 | Y | 84 | Confident | 92.3 | Very high | 145 Ų | 145 | 26.5 Ų | 26.5 | 57% | 0.569 | 13% | 0.125 | S | C | * | . | H | α-helix | trans | -128.9 | 2.8 | -168 | -47 | -62.3 | 0 | 0 | 0 | 114 | E545 K551 | E545-Y549 HydrophobicContact CB-CD2 4.44Å; E545-Y549 CarbonylContact O-C 3.53Å; E545-Y549 WeakPolarHBondContact O-CA 3.47Å; E545-Y549 WeakPolarHBondContact O-CB 3.18Å; E545-Y549 PolarHBondContact O-N 3.31Å; E545-Y549 VanDerWaalsContact O-N 3.07Å; Y549-K551 PolarHBondContact O-N 3.13Å; Y549-K551 VanDerWaalsContact O-N 3.17Å |
| 550 | C | 82.8 | Confident | 92.6 | Very high | 22 Ų | 22 | 25.8 Ų | 25.8 | 15% | 0.149 | 12% | 0.122 | C | C | . | . | trans | 52.2 | 33.7 | -176.3 | -64 | 0 | 0 | 0 | 0 | 113.1 | T530 S531 E545 V546 F552 | T530-C550 WeakPolarHBondContact CA-O 3.26Å; S531-C550 PolarHBondContact N-O 2.9Å; E545-C550 PolarHBondContact O-N 3.47Å; V546-C550 WeakPolarHBondContact O-CA 3.45Å; V546-C550 PolarHBondContact O-N 2.65Å; C550-F552 WeakPolarHBondContact O-CD2 3.35Å | ||
| 551 | K | 84.6 | Confident | 92.7 | Very high | 93 Ų | 93 | 24.2 Ų | 24.2 | 40% | 0.404 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 107 | 178.9 | -72.2 | -175.4 | 175.5 | -167.2 | 0 | 110.8 | E545 V546 Y549 | E545-K551 HydrophobicContact CB-CB 4.47Å; E545-K551 HydrophobicContact CG-CB 4.41Å; E545-K551 PolarHBondContact O-N 3.21Å; V546-K551 WeakPolarHBondContact CG2-O 3.5Å; Y549-K551 PolarHBondContact O-N 3.13Å; Y549-K551 VanDerWaalsContact O-N 3.17Å |
| 552 | F | 86.1 | Confident | 92.8 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 145.2 | 174.9 | -61.5 | -93.9 | 0 | 0 | 0 | 110.5 | I496 R498 E528 Y529 F537 V546 C550 S556 | I496-F552 HydrophobicContact CG2-CB 4.41Å; R498-F552 HydrophobicContact CB-CD1 3.82Å; R498-F552 HydrophobicContact CB-CE1 4.08Å; R498-F552 HydrophobicContact CG-CB 4.21Å; R498-F552 HydrophobicContact CG-CD1 3.84Å; R498-F552 HydrophobicContact CG-CG 4.15Å; E528-F552 CarbonylContact C-O 3.57Å; E528-F552 WeakPolarHBondContact CA-O 3.29Å; Y529-F552 HydrophobicContact CD1-CB 4.29Å; Y529-F552 HydrophobicContact CD1-CD2 4.01Å; Y529-F552 HydrophobicContact CD1-CG 4.46Å; Y529-F552 HydrophobicContact CE1-CD2 4.42Å; Y529-F552 PolarHBondContact N-O 3.17Å; Y529-F552 PolarHBondContact O-N 3.43Å; F537-F552 HydrophobicContact CB-CZ 4.04Å; F537-F552 HydrophobicContact CG-CZ 4.46Å; V546-F552 HydrophobicContact CG1-CD1 4.29Å; V546-F552 HydrophobicContact CG1-CE1 3.63Å; V546-F552 HydrophobicContact CG1-CE2 4.18Å; V546-F552 HydrophobicContact CG1-CZ 3.56Å; V546-F552 HydrophobicContact CG2-CD1 3.97Å; V546-F552 HydrophobicContact CG2-CE1 4.14Å; V546-F552 HydrophobicContact CG2-CG 4.29Å; C550-F552 WeakPolarHBondContact O-CD2 3.35Å; F552-S556 WeakPolarHBondContact CA-OG 3.49Å |
| 553 | S | 89.9 | Confident | 93 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 9% | 0.091 | 11% | 0.109 | C | C | . | . | trans | -158.6 | 172.1 | 176.9 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | D527 K555 S556 D557 | D527-S553 WeakPolarHBondContact O-CA 3.44Å; D527-S553 WeakPolarHBondContact O-CB 3.49Å; S553-K555 PolarHBondContact O-N 3.3Å; S553-K555 WeakPolarHBondContact OG-CB 3.47Å; S553-K555 PolarHBondContact OG-N 2.83Å; S553-S556 PolarHBondContact N-OG 3.28Å; S553-S556 WeakPolarHBondContact O-CA 3.47Å; S553-S556 WeakPolarHBondContact O-CB 3.45Å; S553-S556 PolarHBondContact O-N 3.45Å; S553-S556 PolarHBondContact O-OG 3.44Å; S553-S556 PolarHBondContact OG-N 2.87Å; S553-D557 PolarHBondContact O-N 2.86Å | ||
| 554 | S | 93.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -47.5 | -42 | 164.9 | 65 | 0 | 0 | 0 | 0 | 111.3 | D527 S556 D557 I558 | D527-S554 VanDerWaalsContact CG-OG 3.31Å; D527-S554 WeakPolarHBondContact OD1-CB 3.37Å; D527-S554 PolarHBondContact OD1-N 3.31Å; D527-S554 PolarHBondContact OD1-OG 3.01Å; D527-S554 WeakPolarHBondContact OD2-CB 3.45Å; D527-S554 PolarHBondContact OD2-OG 3.14Å; S554-S556 PolarHBondContact O-N 3.16Å; S554-D557 WeakPolarHBondContact O-CA 3.33Å; S554-D557 WeakPolarHBondContact O-CB 3.49Å; S554-D557 PolarHBondContact O-N 2.96Å; S554-I558 WeakPolarHBondContact O-CD1 3.39Å; S554-I558 PolarHBondContact O-N 2.81Å |
| 555 | K | 97.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 22 Ų | 22 | 13% | 0.13 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.3 | -28 | 178.4 | -55.2 | -53.1 | -172.4 | 174.7 | 0 | 113.5 | S553 I558 W559 A616 R619 P620 | S553-K555 PolarHBondContact O-N 3.3Å; S553-K555 WeakPolarHBondContact OG-CB 3.47Å; S553-K555 PolarHBondContact OG-N 2.83Å; K555-I558 HydrophobicContact CD-CD1 3.57Å; K555-W559 PolarHBondContact O-N 3.24Å; K555-A616 HydrophobicContact CB-CB 3.88Å; K555-A616 HydrophobicContact CG-CB 4.37Å; K555-A616 WeakPolarHBondContact CG-O 3.28Å; K555-R619 HydrophobicContact CD-CB 4.44Å; K555-R619 PolarHBondContact NZ-O 2.98Å; K555-R619 WeakPolarHBondContact O-CD 3.5Å; K555-R619 PolarHBondContact O-NH1 3.48Å; K555-P620 PolarHBondContact NZ-O 2.8Å |
| 556 | S | 95.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 4% | 0.035 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -74.4 | -33.6 | 172 | 73.4 | 0 | 0 | 0 | 0 | 112.8 | F552 S553 S554 I558 W559 A560 | F552-S556 WeakPolarHBondContact CA-OG 3.49Å; S553-S556 PolarHBondContact N-OG 3.28Å; S553-S556 WeakPolarHBondContact O-CA 3.47Å; S553-S556 WeakPolarHBondContact O-CB 3.45Å; S553-S556 PolarHBondContact O-N 3.45Å; S553-S556 PolarHBondContact O-OG 3.44Å; S553-S556 PolarHBondContact OG-N 2.87Å; S554-S556 PolarHBondContact O-N 3.16Å; S556-I558 VanDerWaalsContact C-N 3.35Å; S556-W559 WeakPolarHBondContact O-CB 3.41Å; S556-W559 PolarHBondContact O-N 3.11Å; S556-A560 PolarHBondContact O-N 2.86Å |
| 557 | D | 96.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.7 | -32.9 | 173 | -71.6 | -28.3 | 0 | 0 | 0 | 111.7 | M487 I496 H497 R498 S553 S554 W559 A560 Y561 F622 | M487-D557 HydrophobicContact CE-CB 3.81Å; I496-D557 WeakPolarHBondContact CA-OD2 3.32Å; I496-D557 VanDerWaalsContact CG2-OD2 3.29Å; I496-D557 WeakPolarHBondContact CG2-OD2 3.41Å; H497-D557 PolarHBondContact N-OD2 3.46Å; R498-D557 WeakPolarHBondContact CA-OD1 2.99Å; R498-D557 PolarHBondContact N-OD1 2.63Å; S553-D557 PolarHBondContact O-N 2.86Å; S554-D557 WeakPolarHBondContact O-CA 3.33Å; S554-D557 WeakPolarHBondContact O-CB 3.49Å; S554-D557 PolarHBondContact O-N 2.96Å; D557-W559 VanDerWaalsContact C-N 3.33Å; D557-W559 PolarHBondContact O-N 3.17Å; D557-A560 CarbonylContact O-C 3.51Å; D557-A560 WeakPolarHBondContact O-CB 3.26Å; D557-A560 PolarHBondContact O-N 3.26Å; D557-Y561 WeakPolarHBondContact O-CB 3.47Å; D557-Y561 PolarHBondContact O-N 3.03Å; D557-F622 HydrophobicContact CB-CE2 3.78Å; D557-F622 HydrophobicContact CB-CZ 4.02Å |
| 558 | I | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 172.6 | -73.3 | 146.2 | 0 | 0 | 0 | 111.2 | S554 K555 S556 A560 Y561 G562 C611 R619 P620 F622 L625 | S554-I558 WeakPolarHBondContact O-CD1 3.39Å; S554-I558 PolarHBondContact O-N 2.81Å; K555-I558 HydrophobicContact CD-CD1 3.57Å; S556-I558 VanDerWaalsContact C-N 3.35Å; I558-A560 VanDerWaalsContact C-N 3.33Å; I558-A560 PolarHBondContact O-N 2.88Å; I558-Y561 WeakPolarHBondContact O-CB 3.42Å; I558-Y561 PolarHBondContact O-N 3.47Å; I558-G562 PolarHBondContact O-N 2.79Å; I558-C611 HydrophobicContact CG2-CB 4.06Å; I558-C611 WeakPolarHBondContact O-CB 3.5Å; I558-R619 HydrophobicContact CG2-CB 3.87Å; I558-P620 WeakPolarHBondContact CD1-O 2.85Å; I558-P620 HydrophobicContact CG2-CG 4.35Å; I558-F622 HydrophobicContact CD1-CD2 4.38Å; I558-F622 HydrophobicContact CD1-CE2 4.49Å; I558-F622 HydrophobicContact CG1-CD2 3.86Å; I558-F622 HydrophobicContact CG1-CE1 4.44Å; I558-F622 HydrophobicContact CG1-CE2 3.69Å; I558-F622 HydrophobicContact CG1-CG 4.32Å; I558-F622 HydrophobicContact CG1-CZ 3.99Å; I558-L625 HydrophobicContact CG1-CD1 4.26Å; I558-L625 HydrophobicContact CG2-CD1 4.06Å |
| 559 | W | 98.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 172.7 | 178.7 | -73.3 | 0 | 0 | 0 | 111.5 | W541 P543 P544 K555 S556 D557 Y561 G562 V563 V588 C611 W612 | W541-W559 VanDerWaalsContact O-CD1 3.28Å; P543-W559 HydrophobicContact CB-CB 3.85Å; P543-W559 HydrophobicContact CB-CD2 3.51Å; P543-W559 HydrophobicContact CB-CE3 3.7Å; P543-W559 HydrophobicContact CB-CG 3.58Å; P543-W559 HydrophobicContact CB-CZ3 4.39Å; P543-W559 HydrophobicContact CG-CB 4.24Å; P543-W559 HydrophobicContact CG-CG 4.3Å; P544-W559 HydrophobicContact CG-CH2 4.17Å; P544-W559 HydrophobicContact CG-CZ3 4.39Å; K555-W559 PolarHBondContact O-N 3.24Å; S556-W559 WeakPolarHBondContact O-CB 3.41Å; S556-W559 PolarHBondContact O-N 3.11Å; D557-W559 VanDerWaalsContact C-N 3.33Å; D557-W559 PolarHBondContact O-N 3.17Å; W559-Y561 VanDerWaalsContact C-N 3.28Å; W559-Y561 PolarHBondContact O-N 2.73Å; W559-G562 PolarHBondContact O-N 2.85Å; W559-G562 VanDerWaalsContact O-N 3.15Å; W559-V563 PolarHBondContact O-N 3.08Å; W559-V563 VanDerWaalsContact O-N 3.13Å; W559-V588 HydrophobicContact CH2-CG1 3.9Å; W559-V588 HydrophobicContact CZ2-CG1 3.64Å; W559-C611 WeakPolarHBondContact CA-O 3.37Å; W559-W612 HydrophobicContact CD2-CB 4.46Å; W559-W612 AromaticContact CD2-CD1 3.63Å; W559-W612 HydrophobicContact CD2-CG 4.39Å; W559-W612 AromaticContact CE2-CD1 3.79Å; W559-W612 HydrophobicContact CE3-CB 4.03Å; W559-W612 HydrophobicContact CE3-CG 4.43Å; W559-W612 AromaticContact CG-CD1 3.9Å; W559-W612 HydrophobicContact CH2-CB 4.16Å; W559-W612 HydrophobicContact CZ3-CB 3.88Å; W559-W612 WeakPolarHBondContact CZ3-O 3.39Å; W559-W612 PolarHBondContact O-NE1 3.37Å |
| 560 | A | 98.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 10.1 Ų | 10.1 | 5% | 0.05 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L500 W541 S556 D557 I558 V563 L564 | L500-A560 HydrophobicContact CB-CB 4.05Å; W541-A560 HydrophobicContact CB-CB 4.41Å; S556-A560 PolarHBondContact O-N 2.86Å; D557-A560 CarbonylContact O-C 3.51Å; D557-A560 WeakPolarHBondContact O-CB 3.26Å; D557-A560 PolarHBondContact O-N 3.26Å; I558-A560 VanDerWaalsContact C-N 3.33Å; I558-A560 PolarHBondContact O-N 2.88Å; A560-V563 PolarHBondContact O-N 2.97Å; A560-L564 PolarHBondContact O-N 3.42Å |
| 561 | Y | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 172.4 | 174.9 | -102 | 0 | 0 | 0 | 112.1 | C480 V483 L500 D557 I558 W559 V563 L564 M565 F622 L625 | C480-Y561 PolarHBondContact O-OH 3.28Å; V483-Y561 HydrophobicContact CB-CE2 4.23Å; V483-Y561 HydrophobicContact CG1-CD2 3.88Å; V483-Y561 HydrophobicContact CG1-CE2 3.99Å; L500-Y561 HydrophobicContact CD2-CD2 4.4Å; D557-Y561 WeakPolarHBondContact O-CB 3.47Å; D557-Y561 PolarHBondContact O-N 3.03Å; I558-Y561 WeakPolarHBondContact O-CB 3.42Å; I558-Y561 PolarHBondContact O-N 3.47Å; W559-Y561 VanDerWaalsContact C-N 3.28Å; W559-Y561 PolarHBondContact O-N 2.73Å; Y561-V563 VanDerWaalsContact C-N 3.28Å; Y561-V563 PolarHBondContact O-N 3.22Å; Y561-L564 CarbonylContact O-C 3.58Å; Y561-L564 WeakPolarHBondContact O-CB 3.48Å; Y561-L564 PolarHBondContact O-N 3.11Å; Y561-L564 VanDerWaalsContact O-N 3.1Å; Y561-M565 HydrophobicContact CD1-CG 4.26Å; Y561-M565 HydrophobicContact CD1-SD 4.13Å; Y561-M565 HydrophobicContact CE1-CG 3.77Å; Y561-M565 HydrophobicContact CE1-SD 3.35Å; Y561-M565 WeakPolarHBondContact CE1-SD 3.49Å; Y561-M565 HydrophobicContact CE2-CG 4.17Å; Y561-M565 WeakPolarHBondContact O-CG 3.37Å; Y561-M565 PolarHBondContact O-N 3.21Å; Y561-F622 HydrophobicContact CD1-CE1 4.34Å; Y561-F622 HydrophobicContact CD2-CE1 4.09Å; Y561-F622 AromaticContact CG-CE1 3.77Å; Y561-F622 HydrophobicContact CG-CE1 3.77Å; Y561-L625 HydrophobicContact CD1-CD1 3.72Å; Y561-L625 HydrophobicContact CE1-CB 4.42Å; Y561-L625 HydrophobicContact CE1-CD1 3.99Å; Y561-L625 HydrophobicContact CE1-CD2 4.37Å |
| 562 | G | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -57.7 | -41.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I558 W559 M565 W566 W612 | I558-G562 PolarHBondContact O-N 2.79Å; W559-G562 PolarHBondContact O-N 2.85Å; W559-G562 VanDerWaalsContact O-N 3.15Å; G562-M565 PolarHBondContact O-N 2.85Å; G562-W566 PolarHBondContact O-N 2.79Å; G562-W566 VanDerWaalsContact O-N 3.12Å; G562-W612 VanDerWaalsContact O-CZ2 3.23Å; G562-W612 WeakPolarHBondContact O-CZ2 3.29Å |
| 563 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | W541 W559 A560 Y561 W566 E567 P575 L594 W612 | W541-V563 VanDerWaalsContact CD1-CG1 3.43Å; W541-V563 HydrophobicContact CG-CB 4.46Å; W541-V563 HydrophobicContact CG-CG1 4Å; W559-V563 PolarHBondContact O-N 3.08Å; W559-V563 VanDerWaalsContact O-N 3.13Å; A560-V563 PolarHBondContact O-N 2.97Å; Y561-V563 VanDerWaalsContact C-N 3.28Å; Y561-V563 PolarHBondContact O-N 3.22Å; V563-W566 CarbonylContact O-C 3.59Å; V563-W566 WeakPolarHBondContact O-CA 3.39Å; V563-W566 WeakPolarHBondContact O-CB 3.45Å; V563-W566 PolarHBondContact O-N 3.34Å; V563-W566 VanDerWaalsContact O-N 3.15Å; V563-E567 PolarHBondContact O-N 2.84Å; V563-P575 HydrophobicContact CG1-CB 3.87Å; V563-P575 HydrophobicContact CG1-CG 3.51Å; V563-L594 HydrophobicContact CB-CD1 4.49Å; V563-L594 HydrophobicContact CG1-CD1 4.09Å; V563-L594 HydrophobicContact CG2-CD1 4.23Å; V563-W612 HydrophobicContact CG2-CZ2 4.33Å |
| 564 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 175 | 179.2 | 157.5 | 0 | 0 | 0 | 111.7 | V483 L500 A560 Y561 W566 E567 V568 | V483-L564 HydrophobicContact CB-CD2 4.5Å; V483-L564 HydrophobicContact CG1-CD1 3.95Å; V483-L564 HydrophobicContact CG1-CD2 4.25Å; V483-L564 HydrophobicContact CG2-CD2 4.32Å; L500-L564 HydrophobicContact CD1-CD1 3.9Å; L500-L564 HydrophobicContact CG-CD1 3.99Å; A560-L564 PolarHBondContact O-N 3.42Å; Y561-L564 CarbonylContact O-C 3.58Å; Y561-L564 WeakPolarHBondContact O-CB 3.48Å; Y561-L564 PolarHBondContact O-N 3.11Å; Y561-L564 VanDerWaalsContact O-N 3.1Å; L564-W566 PolarHBondContact O-N 2.97Å; L564-E567 WeakPolarHBondContact O-CA 3.37Å; L564-E567 WeakPolarHBondContact O-CB 3.36Å; L564-E567 PolarHBondContact O-N 3.44Å; L564-V568 HydrophobicContact CD2-CG2 4Å; L564-V568 WeakPolarHBondContact O-CG2 3.45Å; L564-V568 PolarHBondContact O-N 2.82Å |
| 565 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.2 | -41.4 | 173.6 | -69.4 | -171.5 | 74.2 | 0 | 0 | 110.4 | L477 C480 Y561 G562 V568 Y569 V604 I607 M608 | L477-M565 HydrophobicContact CD1-CE 4.42Å; C480-M565 HydrophobicContact CB-CE 4.27Å; C480-M565 HydrophobicContact CB-CG 4.27Å; Y561-M565 HydrophobicContact CD1-CG 4.26Å; Y561-M565 HydrophobicContact CD1-SD 4.13Å; Y561-M565 HydrophobicContact CE1-CG 3.77Å; Y561-M565 HydrophobicContact CE1-SD 3.35Å; Y561-M565 WeakPolarHBondContact CE1-SD 3.49Å; Y561-M565 HydrophobicContact CE2-CG 4.17Å; Y561-M565 WeakPolarHBondContact O-CG 3.37Å; Y561-M565 PolarHBondContact O-N 3.21Å; G562-M565 PolarHBondContact O-N 2.85Å; M565-V568 PolarHBondContact O-N 2.75Å; M565-Y569 WeakPolarHBondContact O-CD2 3.47Å; M565-Y569 PolarHBondContact O-N 3.42Å; M565-V604 HydrophobicContact CE-CG1 4.19Å; M565-I607 HydrophobicContact CE-CB 4.36Å; M565-I607 HydrophobicContact CE-CG2 4.08Å; M565-I607 HydrophobicContact SD-CB 4.48Å; M565-I607 HydrophobicContact SD-CG2 3.75Å; M565-M608 HydrophobicContact CB-CE 3.86Å; M565-M608 HydrophobicContact CB-CG 3.91Å; M565-M608 HydrophobicContact CB-SD 4.44Å; M565-M608 HydrophobicContact SD-CG 4.35Å |
| 566 | W | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.015 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 174.9 | -173.7 | 96.4 | 0 | 0 | 0 | 112.6 | G562 V563 L564 Y569 T570 K573 P575 L594 F595 P597 M608 W612 | G562-W566 PolarHBondContact O-N 2.79Å; G562-W566 VanDerWaalsContact O-N 3.12Å; V563-W566 CarbonylContact O-C 3.59Å; V563-W566 WeakPolarHBondContact O-CA 3.39Å; V563-W566 WeakPolarHBondContact O-CB 3.45Å; V563-W566 PolarHBondContact O-N 3.34Å; V563-W566 VanDerWaalsContact O-N 3.15Å; L564-W566 PolarHBondContact O-N 2.97Å; W566-Y569 PolarHBondContact O-N 3.07Å; W566-T570 HydrophobicContact CD2-CG2 3.84Å; W566-T570 HydrophobicContact CE3-CG2 4.12Å; W566-T570 HydrophobicContact CG-CG2 4.48Å; W566-T570 HydrophobicContact CH2-CG2 3.95Å; W566-T570 HydrophobicContact CZ2-CG2 3.66Å; W566-T570 HydrophobicContact CZ3-CG2 4.16Å; W566-T570 WeakPolarHBondContact O-CB 3.33Å; W566-T570 WeakPolarHBondContact O-CG2 3.49Å; W566-T570 PolarHBondContact O-N 2.9Å; W566-T570 PolarHBondContact O-OG1 3.49Å; W566-K573 HydrophobicContact CH2-CB 3.84Å; W566-K573 HydrophobicContact CZ3-CB 3.9Å; W566-P575 HydrophobicContact CE3-CB 4.45Å; W566-P575 HydrophobicContact CE3-CG 4.2Å; W566-P575 HydrophobicContact CZ3-CB 4.3Å; W566-P575 HydrophobicContact CZ3-CG 4.16Å; W566-L594 HydrophobicContact CB-CD1 3.98Å; W566-L594 HydrophobicContact CD2-CB 4.32Å; W566-L594 HydrophobicContact CD2-CD1 3.82Å; W566-L594 HydrophobicContact CD2-CD2 4.3Å; W566-L594 HydrophobicContact CD2-CG 4.36Å; W566-L594 HydrophobicContact CE3-CD1 4.17Å; W566-L594 HydrophobicContact CG-CB 4.06Å; W566-L594 HydrophobicContact CG-CD1 3.72Å; W566-L594 HydrophobicContact CG-CG 4.39Å; W566-L594 HydrophobicContact CH2-CD2 4.46Å; W566-L594 HydrophobicContact CZ2-CD2 4.16Å; W566-F595 VanDerWaalsContact CD1-O 3.27Å; W566-F595 HydrophobicContact CZ2-CD1 4.29Å; W566-F595 AromaticContact CZ2-CE1 3.58Å; W566-F595 HydrophobicContact CZ2-CE1 3.58Å; W566-F595 HydrophobicContact CZ2-CE2 4.46Å; W566-F595 AromaticContact CZ2-CZ 3.66Å; W566-F595 HydrophobicContact CZ2-CZ 3.66Å; W566-F595 PolarHBondContact NE1-O 2.94Å; W566-P597 HydrophobicContact CG-CG 4.17Å; W566-M608 HydrophobicContact CB-SD 4.23Å; W566-W612 HydrophobicContact CB-CH2 4.23Å; W566-W612 HydrophobicContact CB-CZ2 4.28Å |
| 567 | E | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 172.4 | -67.8 | -178.1 | 97 | 0 | 0 | 111.1 | A502 W541 V563 L564 Y569 T570 L571 G572 P575 | A502-E567 HydrophobicContact CB-CB 4.1Å; A502-E567 PolarHBondContact N-OE2 3.05Å; W541-E567 WeakPolarHBondContact CZ2-OE1 2.88Å; W541-E567 PolarHBondContact NE1-OE2 3.46Å; V563-E567 PolarHBondContact O-N 2.84Å; L564-E567 WeakPolarHBondContact O-CA 3.37Å; L564-E567 WeakPolarHBondContact O-CB 3.36Å; L564-E567 PolarHBondContact O-N 3.44Å; E567-Y569 PolarHBondContact O-N 2.75Å; E567-T570 CarbonylContact O-C 3.55Å; E567-T570 PolarHBondContact O-N 2.82Å; E567-T570 PolarHBondContact O-OG1 2.79Å; E567-L571 PolarHBondContact O-N 2.82Å; E567-L571 VanDerWaalsContact O-N 3.08Å; E567-G572 PolarHBondContact O-N 3.07Å; E567-P575 HydrophobicContact CG-CG 4.02Å |
| 568 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.2 | -50.4 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L459 L463 L476 L564 M565 T570 L571 | L459-V568 HydrophobicContact CD2-CG2 3.98Å; L463-V568 HydrophobicContact CD1-CB 4.49Å; L463-V568 HydrophobicContact CD1-CG2 4.18Å; L463-V568 HydrophobicContact CD2-CG1 4.42Å; L476-V568 HydrophobicContact CB-CG1 3.88Å; L476-V568 HydrophobicContact CD2-CG1 3.82Å; L476-V568 HydrophobicContact CG-CG1 4.38Å; L476-V568 WeakPolarHBondContact O-CG1 3.27Å; L564-V568 HydrophobicContact CD2-CG2 4Å; L564-V568 WeakPolarHBondContact O-CG2 3.45Å; L564-V568 PolarHBondContact O-N 2.82Å; M565-V568 PolarHBondContact O-N 2.75Å; V568-T570 VanDerWaalsContact C-N 3.26Å; V568-T570 PolarHBondContact O-N 3.27Å; V568-L571 PolarHBondContact O-N 3.03Å; V568-L571 VanDerWaalsContact O-N 3.11Å |
| 569 | Y | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76.4 | -9.4 | -177.3 | -84.4 | -91.5 | 0 | 0 | 0 | 114.9 | T473 L476 L477 M565 W566 E567 P597 L599 A600 V604 M608 | T473-Y569 PolarHBondContact O-OH 3.26Å; L476-Y569 HydrophobicContact CB-CE1 4.31Å; L476-Y569 HydrophobicContact CB-CE2 4.23Å; L476-Y569 HydrophobicContact CD1-CD1 4.23Å; L476-Y569 HydrophobicContact CD1-CE1 4.43Å; L477-Y569 WeakPolarHBondContact CB-OH 3.39Å; M565-Y569 WeakPolarHBondContact O-CD2 3.47Å; M565-Y569 PolarHBondContact O-N 3.42Å; W566-Y569 PolarHBondContact O-N 3.07Å; E567-Y569 PolarHBondContact O-N 2.75Å; Y569-P597 WeakPolarHBondContact O-CB 3.4Å; Y569-L599 HydrophobicContact CD1-CB 4.08Å; Y569-L599 WeakPolarHBondContact CE1-O 3.37Å; Y569-A600 HydrophobicContact CD1-CB 3.63Å; Y569-A600 HydrophobicContact CE1-CB 4.18Å; Y569-A600 HydrophobicContact CG-CB 4.03Å; Y569-V604 HydrophobicContact CD1-CG1 4.34Å; Y569-V604 HydrophobicContact CD2-CG1 4.02Å; Y569-V604 HydrophobicContact CE1-CG1 3.89Å; Y569-V604 HydrophobicContact CE1-CG2 4.37Å; Y569-V604 HydrophobicContact CE2-CG1 3.55Å; Y569-V604 HydrophobicContact CG-CG1 4.38Å; Y569-V604 VanDerWaalsContact CZ-CG1 3.47Å; Y569-V604 WeakPolarHBondContact OH-CG2 3.34Å; Y569-M608 HydrophobicContact CD2-CE 3.58Å; Y569-M608 HydrophobicContact CE2-CE 4.32Å; Y569-M608 HydrophobicContact CG-CE 3.81Å |
| 570 | T | 97.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 10% | 0.104 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 5.1 | 169.7 | 57 | 0 | 0 | 0 | 0 | 113.2 | W566 E567 V568 G572 K573 P597 | W566-T570 HydrophobicContact CD2-CG2 3.84Å; W566-T570 HydrophobicContact CE3-CG2 4.12Å; W566-T570 HydrophobicContact CG-CG2 4.48Å; W566-T570 HydrophobicContact CH2-CG2 3.95Å; W566-T570 HydrophobicContact CZ2-CG2 3.66Å; W566-T570 HydrophobicContact CZ3-CG2 4.16Å; W566-T570 WeakPolarHBondContact O-CB 3.33Å; W566-T570 WeakPolarHBondContact O-CG2 3.49Å; W566-T570 PolarHBondContact O-N 2.9Å; W566-T570 PolarHBondContact O-OG1 3.49Å; E567-T570 CarbonylContact O-C 3.55Å; E567-T570 PolarHBondContact O-N 2.82Å; E567-T570 PolarHBondContact O-OG1 2.79Å; V568-T570 VanDerWaalsContact C-N 3.26Å; V568-T570 PolarHBondContact O-N 3.27Å; T570-G572 VanDerWaalsContact C-N 3.32Å; T570-G572 PolarHBondContact O-N 2.95Å; T570-K573 PolarHBondContact OG1-N 3.13Å; T570-P597 HydrophobicContact CG2-CB 3.78Å; T570-P597 HydrophobicContact CG2-CG 3.76Å |
| 571 | L | 97.4 | Very high | 96.9 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 42.8 | -178 | -48.8 | 179.6 | 0 | 0 | 0 | 112.3 | L463 P471 L476 E567 V568 L599 | L463-L571 HydrophobicContact CD2-CD2 4.43Å; P471-L571 HydrophobicContact CG-CD2 3.68Å; L476-L571 HydrophobicContact CD1-CD2 4.23Å; L476-L571 HydrophobicContact CD2-CD2 4.01Å; E567-L571 PolarHBondContact O-N 2.82Å; E567-L571 VanDerWaalsContact O-N 3.08Å; V568-L571 PolarHBondContact O-N 3.03Å; V568-L571 VanDerWaalsContact O-N 3.11Å; L571-L599 HydrophobicContact CD1-CD1 4.06Å; L571-L599 HydrophobicContact CD2-CD1 4.03Å; L571-L599 HydrophobicContact CG-CD1 3.97Å |
| 572 | G | 96.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 86.5 | 24.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K464 E567 T570 | K464-G572 WeakPolarHBondContact CE-O 3.39Å; K464-G572 PolarHBondContact NZ-O 3.43Å; E567-G572 PolarHBondContact O-N 3.07Å; T570-G572 VanDerWaalsContact C-N 3.32Å; T570-G572 PolarHBondContact O-N 2.95Å |
| 573 | K | 96.8 | Very high | 96.3 | Very high | 106 Ų | 106 | 47.6 Ų | 47.6 | 46% | 0.461 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -63.3 | 152.9 | 171.7 | -72.6 | -173.3 | -177.4 | -176.1 | 0 | 111 | W566 T570 P575 | W566-K573 HydrophobicContact CH2-CB 3.84Å; W566-K573 HydrophobicContact CZ3-CB 3.9Å; T570-K573 PolarHBondContact OG1-N 3.13Å; K573-P575 WeakPolarHBondContact O-CD 3.33Å |
| 574 | L | 96.3 | Very high | 96.1 | Very high | 80 Ų | 80 | 47.7 Ų | 47.7 | 42% | 0.419 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -75.2 | 122.8 | 175.5 | -175.5 | 65.2 | 0 | 0 | 0 | 109.6 | W541 Y576 E577 | W541-L574 HydrophobicContact CH2-CD1 4.18Å; L574-Y576 PolarHBondContact O-N 2.67Å; L574-E577 HydrophobicContact CB-CB 4.1Å; L574-E577 HydrophobicContact CD2-CB 4.5Å; L574-E577 WeakPolarHBondContact O-CB 3.45Å; L574-E577 PolarHBondContact O-N 3.37Å |
| 575 | P | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 132.6 | 177.6 | -24.5 | 34.7 | 0 | 0 | 0 | 110.8 | R540 W541 V563 W566 E567 K573 E577 L594 | R540-P575 HydrophobicContact CB-CB 4.34Å; R540-P575 WeakPolarHBondContact CD-O 3.2Å; R540-P575 PolarHBondContact NH1-O 3.07Å; W541-P575 HydrophobicContact CZ2-CG 3.97Å; V563-P575 HydrophobicContact CG1-CB 3.87Å; V563-P575 HydrophobicContact CG1-CG 3.51Å; W566-P575 HydrophobicContact CE3-CB 4.45Å; W566-P575 HydrophobicContact CE3-CG 4.2Å; W566-P575 HydrophobicContact CZ3-CB 4.3Å; W566-P575 HydrophobicContact CZ3-CG 4.16Å; E567-P575 HydrophobicContact CG-CG 4.02Å; K573-P575 WeakPolarHBondContact O-CD 3.33Å; P575-E577 VanDerWaalsContact C-N 3.3Å; P575-E577 PolarHBondContact O-N 3.45Å; P575-L594 HydrophobicContact CB-CD1 4.12Å; P575-L594 HydrophobicContact CB-CD2 4.1Å |
| 576 | Y | 97 | Very high | 95.5 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 35.9 | -177.7 | -45 | -77 | 0 | 0 | 0 | 114.4 | R540 L574 R578 L579 I584 V588 L592 L594 | R540-Y576 PolarHBondContact NH1-O 3.41Å; L574-Y576 PolarHBondContact O-N 2.67Å; Y576-R578 PolarHBondContact O-N 2.8Å; Y576-L579 PolarHBondContact O-N 3.2Å; Y576-I584 HydrophobicContact CD2-CG2 4.37Å; Y576-I584 HydrophobicContact CG-CG1 4.44Å; Y576-V588 HydrophobicContact CE1-CG2 4.36Å; Y576-V588 HydrophobicContact CE2-CG2 4.33Å; Y576-L592 HydrophobicContact CD1-CD2 3.95Å; Y576-L592 HydrophobicContact CE1-CD2 4Å; Y576-L592 HydrophobicContact CE1-CG 4.23Å; Y576-L594 HydrophobicContact CD1-CD2 3.68Å; Y576-L594 HydrophobicContact CD1-CG 4.42Å; Y576-L594 HydrophobicContact CD2-CD2 4.05Å; Y576-L594 HydrophobicContact CE1-CD2 3.55Å; Y576-L594 HydrophobicContact CE1-CG 3.79Å; Y576-L594 HydrophobicContact CE2-CD1 4.38Å; Y576-L594 HydrophobicContact CE2-CD2 3.94Å; Y576-L594 HydrophobicContact CE2-CG 4.05Å; Y576-L594 HydrophobicContact CG-CD2 3.93Å |
| 577 | E | 94.1 | Very high | 95.4 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -27.5 | -171.6 | 68.8 | -174.8 | -173.2 | 0 | 0 | 116.1 | L574 P575 | L574-E577 HydrophobicContact CB-CB 4.1Å; L574-E577 HydrophobicContact CD2-CB 4.5Å; L574-E577 WeakPolarHBondContact O-CB 3.45Å; L574-E577 PolarHBondContact O-N 3.37Å; P575-E577 VanDerWaalsContact C-N 3.3Å; P575-E577 PolarHBondContact O-N 3.45Å |
| 578 | R | 94.8 | Very high | 95.2 | Very high | 219 Ų | 219 | 56.1 Ų | 56.1 | 83% | 0.826 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -9.9 | -177.9 | -58.1 | -174.5 | -176.8 | -177.1 | -1.4 | 114.6 | Y576 | Y576-R578 PolarHBondContact O-N 2.8Š|
| 579 | L | 95 | Very high | 94.9 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -108.5 | 144.5 | -176.8 | -57.4 | -177.1 | 0 | 0 | 0 | 110.3 | R540 Y576 E583 I584 Q587 L592 | R540-L579 PolarHBondContact NH1-O 3.37Å; R540-L579 PolarHBondContact NH2-O 3.42Å; Y576-L579 PolarHBondContact O-N 3.2Å; L579-E583 WeakPolarHBondContact CA-OE2 3.44Å; L579-E583 HydrophobicContact CB-CB 4.14Å; L579-E583 HydrophobicContact CD2-CB 4.37Å; L579-I584 HydrophobicContact CB-CD1 4.2Å; L579-I584 HydrophobicContact CB-CG1 3.6Å; L579-I584 HydrophobicContact CD1-CG1 4.21Å; L579-Q587 HydrophobicContact CD1-CB 4.47Å; L579-L592 HydrophobicContact CD1-CD2 3.74Å |
| 580 | N | 93 | Very high | 94.7 | Very high | 78 Ų | 78 | 67.4 Ų | 67.4 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | trans | -82.2 | 169.2 | 167.7 | 71.2 | 56.3 | 0 | 0 | 0 | 111.4 | T582 E583 I584 | N580-T582 VanDerWaalsContact C-N 3.28Å; N580-T582 PolarHBondContact O-N 2.82Å; N580-T582 WeakPolarHBondContact OD1-CB 3.42Å; N580-T582 PolarHBondContact OD1-N 3.29Å; N580-E583 VanDerWaalsContact CG-OE2 3.31Å; N580-E583 PolarHBondContact N-OE2 2.76Å; N580-E583 PolarHBondContact ND2-OE1 2.83Å; N580-E583 PolarHBondContact ND2-OE2 2.9Å; N580-E583 PolarHBondContact O-N 3.04Å; N580-E583 PolarHBondContact OD1-N 2.89Å; N580-I584 VanDerWaalsContact O-CG1 3.23Å; N580-I584 WeakPolarHBondContact O-CG1 3.37Å; N580-I584 PolarHBondContact O-N 2.69Å | ||
| 581 | N | 90.1 | Very high | 94.6 | Very high | 83 Ų | 83 | 68.4 Ų | 68.4 | 44% | 0.444 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -35.3 | -175.2 | -75.4 | 1.2 | 0 | 0 | 0 | 113.5 | V539 I584 V585 | V539-N581 HydrophobicContact CB-CB 4.31Å; V539-N581 HydrophobicContact CG1-CB 4.01Å; V539-N581 HydrophobicContact CG2-CB 4.23Å; N581-I584 PolarHBondContact O-N 2.8Å; N581-V585 WeakPolarHBondContact O-CG2 3.45Å; N581-V585 PolarHBondContact O-N 3.38Å; N581-V585 VanDerWaalsContact O-N 3.14Å |
| 582 | T | 91.1 | Very high | 94.6 | Very high | 113 Ų | 113 | 68.9 Ų | 68.9 | 69% | 0.693 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.9 | -42.3 | 179.2 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | N580 I584 V585 D586 | N580-T582 VanDerWaalsContact C-N 3.28Å; N580-T582 PolarHBondContact O-N 2.82Å; N580-T582 WeakPolarHBondContact OD1-CB 3.42Å; N580-T582 PolarHBondContact OD1-N 3.29Å; T582-I584 VanDerWaalsContact C-N 3.31Å; T582-I584 PolarHBondContact O-N 2.92Å; T582-V585 PolarHBondContact O-N 3.19Å; T582-D586 PolarHBondContact O-N 3.49Å |
| 583 | E | 94.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 71.3 Ų | 71.3 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 175.1 | -69.2 | 167 | 158.3 | 0 | 0 | 111.9 | L579 N580 D586 Q587 | L579-E583 WeakPolarHBondContact CA-OE2 3.44Å; L579-E583 HydrophobicContact CB-CB 4.14Å; L579-E583 HydrophobicContact CD2-CB 4.37Å; N580-E583 VanDerWaalsContact CG-OE2 3.31Å; N580-E583 PolarHBondContact N-OE2 2.76Å; N580-E583 PolarHBondContact ND2-OE1 2.83Å; N580-E583 PolarHBondContact ND2-OE2 2.9Å; N580-E583 PolarHBondContact O-N 3.04Å; N580-E583 PolarHBondContact OD1-N 2.89Å; E583-D586 PolarHBondContact O-N 2.93Å; E583-Q587 WeakPolarHBondContact O-CB 3.21Å; E583-Q587 WeakPolarHBondContact O-CG 3.5Å; E583-Q587 PolarHBondContact O-N 3.17Å |
| 584 | I | 93.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 177 | -68.7 | 166.6 | 0 | 0 | 0 | 110.6 | V539 R540 Y576 L579 N580 N581 T582 D586 Q587 V588 | V539-I584 HydrophobicContact CG1-CB 4.29Å; V539-I584 HydrophobicContact CG1-CG2 4.03Å; R540-I584 HydrophobicContact CG-CD1 3.83Å; Y576-I584 HydrophobicContact CD2-CG2 4.37Å; Y576-I584 HydrophobicContact CG-CG1 4.44Å; L579-I584 HydrophobicContact CB-CD1 4.2Å; L579-I584 HydrophobicContact CB-CG1 3.6Å; L579-I584 HydrophobicContact CD1-CG1 4.21Å; N580-I584 VanDerWaalsContact O-CG1 3.23Å; N580-I584 WeakPolarHBondContact O-CG1 3.37Å; N580-I584 PolarHBondContact O-N 2.69Å; N581-I584 PolarHBondContact O-N 2.8Å; T582-I584 VanDerWaalsContact C-N 3.31Å; T582-I584 PolarHBondContact O-N 2.92Å; I584-D586 VanDerWaalsContact C-N 3.33Å; I584-D586 PolarHBondContact O-N 3.12Å; I584-Q587 PolarHBondContact O-N 2.81Å; I584-V588 HydrophobicContact CG2-CG2 3.85Å; I584-V588 WeakPolarHBondContact O-CB 3.49Å; I584-V588 VanDerWaalsContact O-CG2 3.27Å; I584-V588 WeakPolarHBondContact O-CG2 3.4Å; I584-V588 PolarHBondContact O-N 3.09Å |
| 585 | V | 92.4 | Very high | 94.8 | Very high | 42 Ų | 42 | 68.6 Ų | 68.6 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.1 | -49.9 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | V539 L547 L548 N581 T582 S589 | V539-V585 HydrophobicContact CG1-CG2 4.14Å; L547-V585 HydrophobicContact CB-CG1 4.46Å; L547-V585 HydrophobicContact CB-CG2 4.43Å; L547-V585 HydrophobicContact CD1-CG2 4.41Å; L547-V585 HydrophobicContact CD2-CG2 4.14Å; L548-V585 HydrophobicContact CD2-CG1 4.44Å; N581-V585 WeakPolarHBondContact O-CG2 3.45Å; N581-V585 PolarHBondContact O-N 3.38Å; N581-V585 VanDerWaalsContact O-N 3.14Å; T582-V585 PolarHBondContact O-N 3.19Å; V585-S589 VanDerWaalsContact O-CB 3.28Å; V585-S589 WeakPolarHBondContact O-CB 3.26Å; V585-S589 PolarHBondContact O-N 2.9Å; V585-S589 PolarHBondContact O-OG 3.24Å |
| 586 | D | 93.3 | Very high | 94.8 | Very high | 68 Ų | 68 | 73.2 Ų | 73.2 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 179.4 | -179.6 | 65.9 | 0 | 0 | 0 | 112.7 | T582 E583 I584 S589 R590 | T582-D586 PolarHBondContact O-N 3.49Å; E583-D586 PolarHBondContact O-N 2.93Å; I584-D586 VanDerWaalsContact C-N 3.33Å; I584-D586 PolarHBondContact O-N 3.12Å; D586-S589 PolarHBondContact O-N 3.24Å; D586-R590 VanDerWaalsContact CG-NH2 3.29Å; D586-R590 VanDerWaalsContact O-CG 3.32Å; D586-R590 WeakPolarHBondContact O-CG 3.24Å; D586-R590 PolarHBondContact O-N 3.49Å; D586-R590 VanDerWaalsContact O-N 3.16Å; D586-R590 IonicContact OD1-CZ 3.46Å; D586-R590 IonicContact OD1-NE 2.81Å; D586-R590 PolarHBondContact OD1-NE 2.86Å; D586-R590 IonicContact OD1-NH2 2.93Å; D586-R590 PolarHBondContact OD1-NH2 2.86Å; D586-R590 IonicContact OD2-CZ 2.9Å; D586-R590 IonicContact OD2-NE 3.89Å; D586-R590 PolarHBondContact OD2-NE 2.91Å; D586-R590 VanDerWaalsContact OD2-NE 3.15Å; D586-R590 IonicContact OD2-NH1 2.63Å; D586-R590 IonicContact OD2-NH2 3.13Å; D586-R590 PolarHBondContact OD2-NH2 3.01Å |
| 587 | Q | 96.1 | Very high | 94.8 | Very high | 73 Ų | 73 | 72.2 Ų | 72.2 | 34% | 0.341 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73 | -39.2 | -173.3 | -68.6 | -164 | 43.2 | 0 | 0 | 113.1 | L579 E583 I584 S589 R590 G591 L592 | L579-Q587 HydrophobicContact CD1-CB 4.47Å; E583-Q587 WeakPolarHBondContact O-CB 3.21Å; E583-Q587 WeakPolarHBondContact O-CG 3.5Å; E583-Q587 PolarHBondContact O-N 3.17Å; I584-Q587 PolarHBondContact O-N 2.81Å; Q587-S589 VanDerWaalsContact C-N 3.32Å; Q587-S589 PolarHBondContact O-N 2.88Å; Q587-R590 CarbonylContact O-C 3.56Å; Q587-R590 PolarHBondContact O-N 3.25Å; Q587-R590 VanDerWaalsContact O-N 3.09Å; Q587-G591 PolarHBondContact O-N 3.42Å; Q587-L592 HydrophobicContact CB-CB 3.93Å; Q587-L592 HydrophobicContact CB-CD2 3.73Å; Q587-L592 HydrophobicContact CB-CG 4.45Å; Q587-L592 WeakPolarHBondContact O-CB 3.4Å; Q587-L592 PolarHBondContact O-N 3.22Å |
| 588 | V | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | P544 L547 W559 Y576 I584 R590 G591 R593 | P544-V588 HydrophobicContact CG-CG1 4.15Å; L547-V588 HydrophobicContact CD1-CB 4.38Å; L547-V588 HydrophobicContact CD1-CG1 4.28Å; W559-V588 HydrophobicContact CH2-CG1 3.9Å; W559-V588 HydrophobicContact CZ2-CG1 3.64Å; Y576-V588 HydrophobicContact CE1-CG2 4.36Å; Y576-V588 HydrophobicContact CE2-CG2 4.33Å; I584-V588 HydrophobicContact CG2-CG2 3.85Å; I584-V588 WeakPolarHBondContact O-CB 3.49Å; I584-V588 VanDerWaalsContact O-CG2 3.27Å; I584-V588 WeakPolarHBondContact O-CG2 3.4Å; I584-V588 PolarHBondContact O-N 3.09Å; V588-R590 PolarHBondContact O-N 2.96Å; V588-G591 PolarHBondContact O-N 2.72Å; V588-R593 PolarHBondContact O-NH1 3.01Å |
| 589 | S | 91.6 | Very high | 95 | Very high | 48 Ų | 48 | 69 Ų | 69 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.7 | -20.2 | 172.9 | -67.9 | 0 | 0 | 0 | 0 | 114 | V585 D586 Q587 | V585-S589 VanDerWaalsContact O-CB 3.28Å; V585-S589 WeakPolarHBondContact O-CB 3.26Å; V585-S589 PolarHBondContact O-N 2.9Å; V585-S589 PolarHBondContact O-OG 3.24Å; D586-S589 PolarHBondContact O-N 3.24Å; Q587-S589 VanDerWaalsContact C-N 3.32Å; Q587-S589 PolarHBondContact O-N 2.88Å |
| 590 | R | 94.1 | Very high | 95 | Very high | 192 Ų | 192 | 67.6 Ų | 67.6 | 73% | 0.725 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.8 | 173.2 | -68.1 | 175.5 | -167.3 | -164.4 | 6.9 | 113.7 | D586 Q587 V588 | D586-R590 VanDerWaalsContact CG-NH2 3.29Å; D586-R590 VanDerWaalsContact O-CG 3.32Å; D586-R590 WeakPolarHBondContact O-CG 3.24Å; D586-R590 PolarHBondContact O-N 3.49Å; D586-R590 VanDerWaalsContact O-N 3.16Å; D586-R590 IonicContact OD1-CZ 3.46Å; D586-R590 IonicContact OD1-NE 2.81Å; D586-R590 PolarHBondContact OD1-NE 2.86Å; D586-R590 IonicContact OD1-NH2 2.93Å; D586-R590 PolarHBondContact OD1-NH2 2.86Å; D586-R590 IonicContact OD2-CZ 2.9Å; D586-R590 IonicContact OD2-NE 3.89Å; D586-R590 PolarHBondContact OD2-NE 2.91Å; D586-R590 VanDerWaalsContact OD2-NE 3.15Å; D586-R590 IonicContact OD2-NH1 2.63Å; D586-R590 IonicContact OD2-NH2 3.13Å; D586-R590 PolarHBondContact OD2-NH2 3.01Å; Q587-R590 CarbonylContact O-C 3.56Å; Q587-R590 PolarHBondContact O-N 3.25Å; Q587-R590 VanDerWaalsContact O-N 3.09Å; V588-R590 PolarHBondContact O-N 2.96Å |
| 591 | G | 95.1 | Very high | 95.1 | Very high | 37 Ų | 37 | 66.6 Ų | 66.6 | 38% | 0.381 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | 8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q587 V588 R593 | Q587-G591 PolarHBondContact O-N 3.42Å; V588-G591 PolarHBondContact O-N 2.72Å; G591-R593 PolarHBondContact O-N 3.48Å |
| 592 | L | 97.1 | Very high | 95.5 | Very high | 61 Ų | 61 | 68.3 Ų | 68.3 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | trans | -60.5 | 135.2 | 171.6 | -178 | 70.9 | 0 | 0 | 0 | 109.9 | Y576 L579 Q587 | Y576-L592 HydrophobicContact CD1-CD2 3.95Å; Y576-L592 HydrophobicContact CE1-CD2 4Å; Y576-L592 HydrophobicContact CE1-CG 4.23Å; L579-L592 HydrophobicContact CD1-CD2 3.74Å; Q587-L592 HydrophobicContact CB-CB 3.93Å; Q587-L592 HydrophobicContact CB-CD2 3.73Å; Q587-L592 HydrophobicContact CB-CG 4.45Å; Q587-L592 WeakPolarHBondContact O-CB 3.4Å; Q587-L592 PolarHBondContact O-N 3.22Å | ||
| 593 | R | 97.7 | Very high | 95.7 | Very high | 52 Ų | 52 | 68.2 Ų | 68.2 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | trans | -130.3 | 158.5 | 173.1 | -61.3 | -60.4 | -177.9 | -91.1 | -1 | 110.4 | V588 G591 W612 D614 | V588-R593 PolarHBondContact O-NH1 3.01Å; G591-R593 PolarHBondContact O-N 3.48Å; R593-W612 HydrophobicContact CB-CE3 4.21Å; R593-W612 PolarHBondContact NE-O 3.12Å; R593-W612 PolarHBondContact NH2-O 3.14Å; R593-D614 IonicContact CZ-OD1 3.13Å; R593-D614 IonicContact NH1-OD1 2.79Å; R593-D614 VanDerWaalsContact NH2-CG 3.28Å; R593-D614 IonicContact NH2-OD1 3.24Å; R593-D614 PolarHBondContact NH2-OD1 2.97Å; R593-D614 IonicContact NH2-OD2 3.97Å | ||
| 594 | L | 98.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 142.9 | 175 | -67 | 165.2 | 0 | 0 | 0 | 110 | V563 W566 P575 Y576 Y605 W612 | V563-L594 HydrophobicContact CB-CD1 4.49Å; V563-L594 HydrophobicContact CG1-CD1 4.09Å; V563-L594 HydrophobicContact CG2-CD1 4.23Å; W566-L594 HydrophobicContact CB-CD1 3.98Å; W566-L594 HydrophobicContact CD2-CB 4.32Å; W566-L594 HydrophobicContact CD2-CD1 3.82Å; W566-L594 HydrophobicContact CD2-CD2 4.3Å; W566-L594 HydrophobicContact CD2-CG 4.36Å; W566-L594 HydrophobicContact CE3-CD1 4.17Å; W566-L594 HydrophobicContact CG-CB 4.06Å; W566-L594 HydrophobicContact CG-CD1 3.72Å; W566-L594 HydrophobicContact CG-CG 4.39Å; W566-L594 HydrophobicContact CH2-CD2 4.46Å; W566-L594 HydrophobicContact CZ2-CD2 4.16Å; P575-L594 HydrophobicContact CB-CD1 4.12Å; P575-L594 HydrophobicContact CB-CD2 4.1Å; Y576-L594 HydrophobicContact CD1-CD2 3.68Å; Y576-L594 HydrophobicContact CD1-CG 4.42Å; Y576-L594 HydrophobicContact CD2-CD2 4.05Å; Y576-L594 HydrophobicContact CE1-CD2 3.55Å; Y576-L594 HydrophobicContact CE1-CG 3.79Å; Y576-L594 HydrophobicContact CE2-CD1 4.38Å; Y576-L594 HydrophobicContact CE2-CD2 3.94Å; Y576-L594 HydrophobicContact CE2-CG 4.05Å; Y576-L594 HydrophobicContact CG-CD2 3.93Å; L594-Y605 PolarHBondContact O-OH 2.91Å; L594-W612 HydrophobicContact CB-CH2 3.7Å; L594-W612 HydrophobicContact CB-CZ2 4.31Å; L594-W612 HydrophobicContact CB-CZ3 4.08Å; L594-W612 HydrophobicContact CD1-CH2 4.06Å; L594-W612 HydrophobicContact CD1-CZ2 3.84Å; L594-W612 HydrophobicContact CG-CH2 4.39Å |
| 595 | F | 97.8 | Very high | 96.1 | Very high | 123 Ų | 123 | 66.5 Ų | 66.5 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -73 | 160.2 | 178.9 | 66.6 | -91.8 | 0 | 0 | 0 | 111.9 | W566 P597 | W566-F595 VanDerWaalsContact CD1-O 3.27Å; W566-F595 HydrophobicContact CZ2-CD1 4.29Å; W566-F595 AromaticContact CZ2-CE1 3.58Å; W566-F595 HydrophobicContact CZ2-CE1 3.58Å; W566-F595 HydrophobicContact CZ2-CE2 4.46Å; W566-F595 AromaticContact CZ2-CZ 3.66Å; W566-F595 HydrophobicContact CZ2-CZ 3.66Å; W566-F595 PolarHBondContact NE1-O 2.94Å; F595-P597 VanDerWaalsContact O-CD 3.28Å; F595-P597 WeakPolarHBondContact O-CD 3.46Å |
| 596 | R | 98.4 | Very high | 96.4 | Very high | 97 Ų | 97 | 68 Ų | 68 | 37% | 0.366 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -65 | 118.7 | 175 | -175.8 | 165.5 | 69.1 | 71.3 | -5 | 112.3 | A600 E602 Y605 | R596-A600 HydrophobicContact CG-CB 4.33Å; R596-A600 PolarHBondContact NH1-O 3Å; R596-E602 IonicContact CZ-OE1 3.45Å; R596-E602 IonicContact NE-OE1 3.8Å; R596-E602 PolarHBondContact NE-OE1 3.46Å; R596-E602 IonicContact NE-OE2 2.91Å; R596-E602 IonicContact NH2-OE1 2.94Å; R596-E602 PolarHBondContact NH2-OE1 3.38Å; R596-Y605 HydrophobicContact CB-CD1 3.8Å; R596-Y605 HydrophobicContact CB-CD2 3.67Å; R596-Y605 HydrophobicContact CB-CE1 3.92Å; R596-Y605 HydrophobicContact CB-CE2 3.79Å; R596-Y605 HydrophobicContact CB-CG 3.66Å; R596-Y605 VanDerWaalsContact CD-CB 3.46Å; R596-Y605 HydrophobicContact CG-CD1 4.03Å; R596-Y605 HydrophobicContact CG-CD2 3.82Å; R596-Y605 HydrophobicContact CG-CE2 4.45Å; R596-Y605 HydrophobicContact CG-CG 3.57Å |
| 597 | P | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 149.5 | 173.9 | -23.5 | 35 | 0 | 0 | 0 | 112.4 | W566 Y569 T570 F595 L599 A600 M608 | W566-P597 HydrophobicContact CG-CG 4.17Å; Y569-P597 WeakPolarHBondContact O-CB 3.4Å; T570-P597 HydrophobicContact CG2-CB 3.78Å; T570-P597 HydrophobicContact CG2-CG 3.76Å; F595-P597 VanDerWaalsContact O-CD 3.28Å; F595-P597 WeakPolarHBondContact O-CD 3.46Å; P597-L599 VanDerWaalsContact C-N 3.27Å; P597-L599 PolarHBondContact O-N 3.46Å; P597-A600 HydrophobicContact CB-CB 4.08Å; P597-A600 HydrophobicContact CG-CB 4.25Å; P597-A600 PolarHBondContact O-N 3.37Å; P597-M608 HydrophobicContact CG-CE 4.49Å |
| 598 | Q | 95.9 | Very high | 96.7 | Very high | 193 Ų | 193 | 62 Ų | 62 | 90% | 0.902 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -34.9 | 179.6 | -71.5 | -179.3 | -15.2 | 0 | 0 | 113 | A600 | Q598-A600 VanDerWaalsContact C-N 3.27Å; Q598-A600 PolarHBondContact O-N 3.38Å |
| 599 | L | 95.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12.2 | 178.3 | -61.2 | 176 | 0 | 0 | 0 | 112.9 | T473 L476 Y569 L571 P597 | T473-L599 WeakPolarHBondContact CG2-O 3.09Å; L476-L599 HydrophobicContact CD1-CB 4.38Å; L476-L599 HydrophobicContact CD1-CD1 3.95Å; Y569-L599 HydrophobicContact CD1-CB 4.08Å; Y569-L599 WeakPolarHBondContact CE1-O 3.37Å; L571-L599 HydrophobicContact CD1-CD1 4.06Å; L571-L599 HydrophobicContact CD2-CD1 4.03Å; L571-L599 HydrophobicContact CG-CD1 3.97Å; P597-L599 VanDerWaalsContact C-N 3.27Å; P597-L599 PolarHBondContact O-N 3.46Å |
| 600 | A | 96.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | trans | -93.8 | 124.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y569 R596 P597 Q598 V604 M608 | Y569-A600 HydrophobicContact CD1-CB 3.63Å; Y569-A600 HydrophobicContact CE1-CB 4.18Å; Y569-A600 HydrophobicContact CG-CB 4.03Å; R596-A600 HydrophobicContact CG-CB 4.33Å; R596-A600 PolarHBondContact NH1-O 3Å; P597-A600 HydrophobicContact CB-CB 4.08Å; P597-A600 HydrophobicContact CG-CB 4.25Å; P597-A600 PolarHBondContact O-N 3.37Å; Q598-A600 VanDerWaalsContact C-N 3.27Å; Q598-A600 PolarHBondContact O-N 3.38Å; A600-V604 HydrophobicContact CB-CB 4.32Å; A600-V604 HydrophobicContact CB-CG1 4.01Å; A600-M608 HydrophobicContact CB-CE 4.22Å | ||
| 601 | N | 95.1 | Very high | 97.4 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | trans | -74.7 | 173 | 168.5 | 71.4 | 28.5 | 0 | 0 | 0 | 110.9 | K603 V604 Y605 | N601-K603 VanDerWaalsContact C-N 3.29Å; N601-K603 PolarHBondContact O-N 3.49Å; N601-K603 WeakPolarHBondContact OD1-CB 3.29Å; N601-K603 PolarHBondContact OD1-N 3.4Å; N601-V604 PolarHBondContact O-N 3.47Å; N601-V604 WeakPolarHBondContact OD1-CG2 3.46Å; N601-V604 PolarHBondContact OD1-N 2.77Å; N601-Y605 WeakPolarHBondContact O-CB 3.42Å; N601-Y605 PolarHBondContact O-N 2.83Å | ||
| 602 | E | 96.7 | Very high | 97.6 | Very high | 119 Ų | 119 | 53.7 Ų | 53.7 | 56% | 0.556 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.2 | -34.5 | -178.4 | -65.2 | -60.3 | 154.1 | 0 | 0 | 112.8 | R596 Y605 S606 | R596-E602 IonicContact CZ-OE1 3.45Å; R596-E602 IonicContact NE-OE1 3.8Å; R596-E602 PolarHBondContact NE-OE1 3.46Å; R596-E602 IonicContact NE-OE2 2.91Å; R596-E602 IonicContact NH2-OE1 2.94Å; R596-E602 PolarHBondContact NH2-OE1 3.38Å; E602-Y605 PolarHBondContact O-N 2.91Å; E602-S606 WeakPolarHBondContact O-CB 3.41Å; E602-S606 PolarHBondContact O-N 3.18Å |
| 603 | K | 96.8 | Very high | 97.6 | Very high | 111 Ų | 111 | 52 Ų | 52 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 178.2 | -64.4 | -169.1 | 179.5 | -170 | 0 | 111.6 | N601 Y605 S606 I607 L632 E635 | N601-K603 VanDerWaalsContact C-N 3.29Å; N601-K603 PolarHBondContact O-N 3.49Å; N601-K603 WeakPolarHBondContact OD1-CB 3.29Å; N601-K603 PolarHBondContact OD1-N 3.4Å; K603-Y605 VanDerWaalsContact C-N 3.34Å; K603-Y605 PolarHBondContact O-N 3.13Å; K603-S606 WeakPolarHBondContact O-CB 3.05Å; K603-S606 PolarHBondContact O-N 3.16Å; K603-I607 PolarHBondContact O-N 2.93Å; K603-L632 HydrophobicContact CB-CD1 3.79Å; K603-L632 HydrophobicContact CB-CD2 4.01Å; K603-L632 HydrophobicContact CD-CD1 3.57Å; K603-L632 HydrophobicContact CG-CD1 4.34Å; K603-E635 IonicContact NZ-OE1 2.65Å; K603-E635 PolarHBondContact NZ-OE1 3.38Å; K603-E635 IonicContact NZ-OE2 3.19Å; K603-E635 PolarHBondContact NZ-OE2 3.34Å |
| 604 | V | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | L477 M565 Y569 A600 N601 S606 I607 M608 L632 | L477-V604 HydrophobicContact CD1-CG2 4.38Å; M565-V604 HydrophobicContact CE-CG1 4.19Å; Y569-V604 HydrophobicContact CD1-CG1 4.34Å; Y569-V604 HydrophobicContact CD2-CG1 4.02Å; Y569-V604 HydrophobicContact CE1-CG1 3.89Å; Y569-V604 HydrophobicContact CE1-CG2 4.37Å; Y569-V604 HydrophobicContact CE2-CG1 3.55Å; Y569-V604 HydrophobicContact CG-CG1 4.38Å; Y569-V604 VanDerWaalsContact CZ-CG1 3.47Å; Y569-V604 WeakPolarHBondContact OH-CG2 3.34Å; A600-V604 HydrophobicContact CB-CB 4.32Å; A600-V604 HydrophobicContact CB-CG1 4.01Å; N601-V604 PolarHBondContact O-N 3.47Å; N601-V604 WeakPolarHBondContact OD1-CG2 3.46Å; N601-V604 PolarHBondContact OD1-N 2.77Å; V604-S606 VanDerWaalsContact C-N 3.3Å; V604-S606 PolarHBondContact O-N 3.45Å; V604-I607 WeakPolarHBondContact O-CB 3.36Å; V604-I607 PolarHBondContact O-N 3.28Å; V604-M608 HydrophobicContact CG1-CE 3.63Å; V604-M608 PolarHBondContact O-N 3.2Å; V604-L632 HydrophobicContact CG2-CD2 3.71Å |
| 605 | Y | 98.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 60 Ų | 60 | 18% | 0.18 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.7 | -33.4 | -179.8 | -173.6 | -116.4 | 0 | 0 | 0 | 112.5 | L594 R596 N601 E602 K603 I607 M608 T609 W612 | L594-Y605 PolarHBondContact O-OH 2.91Å; R596-Y605 HydrophobicContact CB-CD1 3.8Å; R596-Y605 HydrophobicContact CB-CD2 3.67Å; R596-Y605 HydrophobicContact CB-CE1 3.92Å; R596-Y605 HydrophobicContact CB-CE2 3.79Å; R596-Y605 HydrophobicContact CB-CG 3.66Å; R596-Y605 VanDerWaalsContact CD-CB 3.46Å; R596-Y605 HydrophobicContact CG-CD1 4.03Å; R596-Y605 HydrophobicContact CG-CD2 3.82Å; R596-Y605 HydrophobicContact CG-CE2 4.45Å; R596-Y605 HydrophobicContact CG-CG 3.57Å; N601-Y605 WeakPolarHBondContact O-CB 3.42Å; N601-Y605 PolarHBondContact O-N 2.83Å; E602-Y605 PolarHBondContact O-N 2.91Å; K603-Y605 VanDerWaalsContact C-N 3.34Å; K603-Y605 PolarHBondContact O-N 3.13Å; Y605-I607 VanDerWaalsContact C-N 3.25Å; Y605-I607 PolarHBondContact O-N 3.24Å; Y605-M608 HydrophobicContact CD2-CB 4.33Å; Y605-M608 HydrophobicContact CD2-SD 3.97Å; Y605-M608 WeakPolarHBondContact O-CB 3.34Å; Y605-M608 PolarHBondContact O-N 3.19Å; Y605-T609 HydrophobicContact CD1-CG2 4.02Å; Y605-T609 HydrophobicContact CD2-CG2 4.46Å; Y605-T609 HydrophobicContact CE1-CG2 3.6Å; Y605-T609 HydrophobicContact CE2-CG2 4.08Å; Y605-T609 HydrophobicContact CG-CG2 4.44Å; Y605-T609 WeakPolarHBondContact O-CG2 3.37Å; Y605-T609 PolarHBondContact O-N 3.47Å; Y605-T609 PolarHBondContact O-OG1 2.82Å; Y605-W612 HydrophobicContact CE2-CZ3 4.17Å |
| 606 | S | 98.3 | Very high | 97.1 | Very high | 72 Ų | 72 | 55.3 Ų | 55.3 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57 | -40.3 | 172.4 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | E602 K603 V604 T609 S610 | E602-S606 WeakPolarHBondContact O-CB 3.41Å; E602-S606 PolarHBondContact O-N 3.18Å; K603-S606 WeakPolarHBondContact O-CB 3.05Å; K603-S606 PolarHBondContact O-N 3.16Å; V604-S606 VanDerWaalsContact C-N 3.3Å; V604-S606 PolarHBondContact O-N 3.45Å; S606-T609 WeakPolarHBondContact CA-OG1 3.47Å; S606-T609 PolarHBondContact O-N 2.92Å; S606-T609 PolarHBondContact O-OG1 3.26Å; S606-S610 PolarHBondContact O-N 2.97Å |
| 607 | I | 98.4 | Very high | 97 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 174.5 | -59.6 | 171 | 0 | 0 | 0 | 110.5 | M565 K603 V604 Y605 T609 S610 C611 L625 V629 L632 | M565-I607 HydrophobicContact CE-CB 4.36Å; M565-I607 HydrophobicContact CE-CG2 4.08Å; M565-I607 HydrophobicContact SD-CB 4.48Å; M565-I607 HydrophobicContact SD-CG2 3.75Å; K603-I607 PolarHBondContact O-N 2.93Å; V604-I607 WeakPolarHBondContact O-CB 3.36Å; V604-I607 PolarHBondContact O-N 3.28Å; Y605-I607 VanDerWaalsContact C-N 3.25Å; Y605-I607 PolarHBondContact O-N 3.24Å; I607-T609 VanDerWaalsContact C-N 3.33Å; I607-T609 PolarHBondContact O-N 3.34Å; I607-S610 PolarHBondContact O-N 3.08Å; I607-S610 PolarHBondContact O-OG 2.9Å; I607-C611 PolarHBondContact O-N 3.11Å; I607-C611 PolarHBondContact O-SG 3.12Å; I607-L625 HydrophobicContact CG2-CD2 3.66Å; I607-V629 HydrophobicContact CD1-CG2 4.09Å; I607-L632 HydrophobicContact CD1-CD2 3.89Å |
| 608 | M | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.3 | -58.2 | 178.4 | -174.1 | 0 | 0 | 111.3 | M565 W566 Y569 P597 A600 V604 Y605 C611 W612 | M565-M608 HydrophobicContact CB-CE 3.86Å; M565-M608 HydrophobicContact CB-CG 3.91Å; M565-M608 HydrophobicContact CB-SD 4.44Å; M565-M608 HydrophobicContact SD-CG 4.35Å; W566-M608 HydrophobicContact CB-SD 4.23Å; Y569-M608 HydrophobicContact CD2-CE 3.58Å; Y569-M608 HydrophobicContact CE2-CE 4.32Å; Y569-M608 HydrophobicContact CG-CE 3.81Å; P597-M608 HydrophobicContact CG-CE 4.49Å; A600-M608 HydrophobicContact CB-CE 4.22Å; V604-M608 HydrophobicContact CG1-CE 3.63Å; V604-M608 PolarHBondContact O-N 3.2Å; Y605-M608 HydrophobicContact CD2-CB 4.33Å; Y605-M608 HydrophobicContact CD2-SD 3.97Å; Y605-M608 WeakPolarHBondContact O-CB 3.34Å; Y605-M608 PolarHBondContact O-N 3.19Å; M608-C611 WeakPolarHBondContact O-CB 3.36Å; M608-C611 PolarHBondContact O-N 2.99Å; M608-W612 HydrophobicContact CB-CH2 3.75Å; M608-W612 HydrophobicContact CB-CZ2 4.19Å; M608-W612 HydrophobicContact CB-CZ3 3.96Å; M608-W612 VanDerWaalsContact O-CD2 3.25Å; M608-W612 PolarHBondContact O-N 3.47Å |
| 609 | T | 98.2 | Very high | 97.1 | Very high | 54 Ų | 54 | 54 Ų | 54 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.2 | -32 | -178.4 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | Y605 S606 I607 C611 W612 | Y605-T609 HydrophobicContact CD1-CG2 4.02Å; Y605-T609 HydrophobicContact CD2-CG2 4.46Å; Y605-T609 HydrophobicContact CE1-CG2 3.6Å; Y605-T609 HydrophobicContact CE2-CG2 4.08Å; Y605-T609 HydrophobicContact CG-CG2 4.44Å; Y605-T609 WeakPolarHBondContact O-CG2 3.37Å; Y605-T609 PolarHBondContact O-N 3.47Å; Y605-T609 PolarHBondContact O-OG1 2.82Å; S606-T609 WeakPolarHBondContact CA-OG1 3.47Å; S606-T609 PolarHBondContact O-N 2.92Å; S606-T609 PolarHBondContact O-OG1 3.26Å; I607-T609 VanDerWaalsContact C-N 3.33Å; I607-T609 PolarHBondContact O-N 3.34Å; T609-C611 VanDerWaalsContact C-N 3.26Å; T609-C611 PolarHBondContact O-N 2.97Å; T609-W612 HydrophobicContact CG2-CE3 4.38Å; T609-W612 HydrophobicContact CG2-CZ3 4.47Å; T609-W612 PolarHBondContact O-N 2.98Å |
| 610 | S | 98.4 | Very high | 97.2 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.5 | -31 | 174.7 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | S606 I607 W612 P620 | S606-S610 PolarHBondContact O-N 2.97Å; I607-S610 PolarHBondContact O-N 3.08Å; I607-S610 PolarHBondContact O-OG 2.9Å; S610-W612 PolarHBondContact O-N 3.49Å; S610-P620 WeakPolarHBondContact O-CD 3.38Å |
| 611 | C | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.3 | -23.8 | 172.1 | -61.6 | 0 | 0 | 0 | 0 | 113 | I558 W559 I607 M608 T609 R619 | I558-C611 HydrophobicContact CG2-CB 4.06Å; I558-C611 WeakPolarHBondContact O-CB 3.5Å; W559-C611 WeakPolarHBondContact CA-O 3.37Å; I607-C611 PolarHBondContact O-N 3.11Å; I607-C611 PolarHBondContact O-SG 3.12Å; M608-C611 WeakPolarHBondContact O-CB 3.36Å; M608-C611 PolarHBondContact O-N 2.99Å; T609-C611 VanDerWaalsContact C-N 3.26Å; T609-C611 PolarHBondContact O-N 2.97Å; C611-R619 VanDerWaalsContact O-CD 3.3Å; C611-R619 WeakPolarHBondContact O-CD 3.33Å |
| 612 | W | 98.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 26.4 | -175.5 | -52.7 | -39.4 | 0 | 0 | 0 | 114.6 | W559 G562 V563 W566 R593 L594 Y605 M608 T609 S610 D614 | W559-W612 HydrophobicContact CD2-CB 4.46Å; W559-W612 AromaticContact CD2-CD1 3.63Å; W559-W612 HydrophobicContact CD2-CG 4.39Å; W559-W612 AromaticContact CE2-CD1 3.79Å; W559-W612 HydrophobicContact CE3-CB 4.03Å; W559-W612 HydrophobicContact CE3-CG 4.43Å; W559-W612 AromaticContact CG-CD1 3.9Å; W559-W612 HydrophobicContact CH2-CB 4.16Å; W559-W612 HydrophobicContact CZ3-CB 3.88Å; W559-W612 WeakPolarHBondContact CZ3-O 3.39Å; W559-W612 PolarHBondContact O-NE1 3.37Å; G562-W612 VanDerWaalsContact O-CZ2 3.23Å; G562-W612 WeakPolarHBondContact O-CZ2 3.29Å; V563-W612 HydrophobicContact CG2-CZ2 4.33Å; W566-W612 HydrophobicContact CB-CH2 4.23Å; W566-W612 HydrophobicContact CB-CZ2 4.28Å; R593-W612 HydrophobicContact CB-CE3 4.21Å; R593-W612 PolarHBondContact NE-O 3.12Å; R593-W612 PolarHBondContact NH2-O 3.14Å; L594-W612 HydrophobicContact CB-CH2 3.7Å; L594-W612 HydrophobicContact CB-CZ2 4.31Å; L594-W612 HydrophobicContact CB-CZ3 4.08Å; L594-W612 HydrophobicContact CD1-CH2 4.06Å; L594-W612 HydrophobicContact CD1-CZ2 3.84Å; L594-W612 HydrophobicContact CG-CH2 4.39Å; Y605-W612 HydrophobicContact CE2-CZ3 4.17Å; M608-W612 HydrophobicContact CB-CH2 3.75Å; M608-W612 HydrophobicContact CB-CZ2 4.19Å; M608-W612 HydrophobicContact CB-CZ3 3.96Å; M608-W612 VanDerWaalsContact O-CD2 3.25Å; M608-W612 PolarHBondContact O-N 3.47Å; T609-W612 HydrophobicContact CG2-CE3 4.38Å; T609-W612 HydrophobicContact CG2-CZ3 4.47Å; T609-W612 PolarHBondContact O-N 2.98Å; S610-W612 PolarHBondContact O-N 3.49Å; W612-D614 PolarHBondContact O-N 3.27Å |
| 613 | S | 97.8 | Very high | 97.3 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | trans | -59.1 | 139.3 | 169.1 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | K615 E618 R619 | S613-K615 VanDerWaalsContact C-N 3.27Å; S613-K615 PolarHBondContact O-N 2.95Å; S613-E618 PolarHBondContact OG-OE2 3.49Å; S613-R619 PolarHBondContact O-NE 2.95Å; S613-R619 PolarHBondContact O-NH2 2.92Å | ||
| 614 | D | 93.5 | Very high | 97.4 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -60.5 | -38.4 | 177 | -73.9 | -54.8 | 0 | 0 | 0 | 111.4 | R593 W612 | R593-D614 IonicContact CZ-OD1 3.13Å; R593-D614 IonicContact NH1-OD1 2.79Å; R593-D614 VanDerWaalsContact NH2-CG 3.28Å; R593-D614 IonicContact NH2-OD1 3.24Å; R593-D614 PolarHBondContact NH2-OD1 2.97Å; R593-D614 IonicContact NH2-OD2 3.97Å; W612-D614 PolarHBondContact O-N 3.27Å |
| 615 | K | 95.1 | Very high | 97.4 | Very high | 131 Ų | 131 | 49.7 Ų | 49.7 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -86 | 124.3 | 174.6 | -59.2 | -165.3 | -153.7 | 135.9 | 0 | 109.9 | S613 D617 E618 | S613-K615 VanDerWaalsContact C-N 3.27Å; S613-K615 PolarHBondContact O-N 2.95Å; K615-D617 VanDerWaalsContact C-N 3.27Å; K615-D617 PolarHBondContact O-N 3.36Å; K615-E618 HydrophobicContact CB-CB 4.25Å; K615-E618 HydrophobicContact CB-CG 3.91Å; K615-E618 HydrophobicContact CD-CG 4.43Å; K615-E618 VanDerWaalsContact CD-OE1 3.32Å; K615-E618 WeakPolarHBondContact CD-OE1 3.3Å; K615-E618 WeakPolarHBondContact CE-OE1 3.26Å; K615-E618 IonicContact NZ-OE1 3.15Å; K615-E618 PolarHBondContact NZ-OE1 2.89Å; K615-E618 PolarHBondContact O-N 3.37Å; K615-E618 VanDerWaalsContact O-N 3.17Å |
| 616 | A | 95.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 48 Ų | 48 | 20% | 0.198 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -56 | -41.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K555 E618 R619 | K555-A616 HydrophobicContact CB-CB 3.88Å; K555-A616 HydrophobicContact CG-CB 4.37Å; K555-A616 WeakPolarHBondContact CG-O 3.28Å; A616-E618 VanDerWaalsContact C-N 3.25Å; A616-E618 PolarHBondContact O-N 3.45Å; A616-R619 WeakPolarHBondContact O-CB 3.32Å; A616-R619 PolarHBondContact O-N 3.38Å; A616-R619 VanDerWaalsContact O-N 3.14Å |
| 617 | D | 94.4 | Very high | 97 | Very high | 146 Ų | 146 | 48.9 Ų | 48.9 | 78% | 0.781 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -70.3 | -19.1 | -177.3 | -55.7 | -30.8 | 0 | 0 | 0 | 113.8 | K615 R619 | K615-D617 VanDerWaalsContact C-N 3.27Å; K615-D617 PolarHBondContact O-N 3.36Å; D617-R619 VanDerWaalsContact C-N 3.3Å |
| 618 | E | 97.1 | Very high | 96.9 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 52% | 0.523 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -84 | -8.5 | 176 | -67.7 | 176.9 | -177.5 | 0 | 0 | 112.3 | S613 K615 A616 | S613-E618 PolarHBondContact OG-OE2 3.49Å; K615-E618 HydrophobicContact CB-CB 4.25Å; K615-E618 HydrophobicContact CB-CG 3.91Å; K615-E618 HydrophobicContact CD-CG 4.43Å; K615-E618 VanDerWaalsContact CD-OE1 3.32Å; K615-E618 WeakPolarHBondContact CD-OE1 3.3Å; K615-E618 WeakPolarHBondContact CE-OE1 3.26Å; K615-E618 IonicContact NZ-OE1 3.15Å; K615-E618 PolarHBondContact NZ-OE1 2.89Å; K615-E618 PolarHBondContact O-N 3.37Å; K615-E618 VanDerWaalsContact O-N 3.17Å; A616-E618 VanDerWaalsContact C-N 3.25Å; A616-E618 PolarHBondContact O-N 3.45Å |
| 619 | R | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -76.9 | 141.5 | 175.8 | -57.4 | 174.4 | -165.7 | 151.2 | 11 | 109.3 | E545 K555 I558 C611 S613 A616 D617 | E545-R619 IonicContact OE1-CZ 2.99Å; E545-R619 IonicContact OE1-NH1 2.65Å; E545-R619 PolarHBondContact OE1-NH1 2.93Å; E545-R619 IonicContact OE1-NH2 3.23Å; E545-R619 PolarHBondContact OE1-NH2 3.43Å; E545-R619 VanDerWaalsContact OE1-NH2 3.13Å; E545-R619 IonicContact OE2-CZ 3.03Å; E545-R619 IonicContact OE2-NH1 2.75Å; E545-R619 IonicContact OE2-NH2 2.86Å; E545-R619 PolarHBondContact OE2-NH2 3.46Å; K555-R619 HydrophobicContact CD-CB 4.44Å; K555-R619 PolarHBondContact NZ-O 2.98Å; K555-R619 WeakPolarHBondContact O-CD 3.5Å; K555-R619 PolarHBondContact O-NH1 3.48Å; I558-R619 HydrophobicContact CG2-CB 3.87Å; C611-R619 VanDerWaalsContact O-CD 3.3Å; C611-R619 WeakPolarHBondContact O-CD 3.33Å; S613-R619 PolarHBondContact O-NE 2.95Å; S613-R619 PolarHBondContact O-NH2 2.92Å; A616-R619 WeakPolarHBondContact O-CB 3.32Å; A616-R619 PolarHBondContact O-N 3.38Å; A616-R619 VanDerWaalsContact O-N 3.14Å; D617-R619 VanDerWaalsContact C-N 3.3Å |
| 620 | P | 98.2 | Very high | 96.3 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 165.3 | 178.9 | 28.7 | -36 | 0 | 0 | 0 | 111.3 | K555 I558 S610 E624 L625 | K555-P620 PolarHBondContact NZ-O 2.8Å; I558-P620 WeakPolarHBondContact CD1-O 2.85Å; I558-P620 HydrophobicContact CG2-CG 4.35Å; S610-P620 WeakPolarHBondContact O-CD 3.38Å; P620-E624 WeakPolarHBondContact CA-OE2 3.42Å; P620-E624 HydrophobicContact CB-CB 4.25Å; P620-L625 HydrophobicContact CB-CD2 4.31Å; P620-L625 HydrophobicContact CB-CG 4.14Å; P620-L625 HydrophobicContact CG-CD1 4.12Å; P620-L625 HydrophobicContact CG-CD2 3.6Å; P620-L625 HydrophobicContact CG-CG 3.74Å |
| 621 | T | 98.1 | Very high | 96 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 162 | 166.6 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | Q623 E624 L625 | T621-Q623 VanDerWaalsContact C-N 3.26Å; T621-Q623 PolarHBondContact O-N 2.63Å; T621-E624 PolarHBondContact N-OE2 3.19Å; T621-E624 PolarHBondContact O-N 3.14Å; T621-E624 WeakPolarHBondContact OG1-CB 3.38Å; T621-E624 VanDerWaalsContact OG1-CD 3.27Å; T621-E624 WeakPolarHBondContact OG1-CG 3.28Å; T621-E624 PolarHBondContact OG1-N 3.34Å; T621-E624 PolarHBondContact OG1-OE2 3.46Å; T621-L625 WeakPolarHBondContact O-CG 3.49Å; T621-L625 PolarHBondContact O-N 3.14Å |
| 622 | F | 98.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -32.5 | 173.4 | -85 | -69.9 | 0 | 0 | 0 | 112.2 | M487 A488 E491 L500 D557 I558 Y561 E624 L625 A626 | M487-F622 HydrophobicContact CB-CB 4.48Å; M487-F622 HydrophobicContact CB-CD1 3.4Å; M487-F622 HydrophobicContact CB-CD2 3.93Å; M487-F622 HydrophobicContact CB-CE1 3.36Å; M487-F622 HydrophobicContact CB-CE2 3.89Å; M487-F622 HydrophobicContact CB-CG 3.69Å; M487-F622 HydrophobicContact CB-CZ 3.62Å; M487-F622 HydrophobicContact CE-CD2 4.41Å; M487-F622 HydrophobicContact CE-CE2 3.58Å; M487-F622 HydrophobicContact CE-CZ 3.65Å; M487-F622 HydrophobicContact CG-CD1 4.36Å; M487-F622 HydrophobicContact CG-CE1 3.84Å; M487-F622 HydrophobicContact CG-CE2 4.47Å; M487-F622 HydrophobicContact CG-CZ 3.91Å; A488-F622 VanDerWaalsContact CA-CB 3.5Å; A488-F622 HydrophobicContact CB-CB 3.89Å; E491-F622 HydrophobicContact CB-CB 4.46Å; E491-F622 HydrophobicContact CB-CD2 4.28Å; E491-F622 PolarHBondContact OE1-N 2.9Å; E491-F622 PolarHBondContact OE2-N 2.74Å; L500-F622 HydrophobicContact CD2-CZ 4.2Å; D557-F622 HydrophobicContact CB-CE2 3.78Å; D557-F622 HydrophobicContact CB-CZ 4.02Å; I558-F622 HydrophobicContact CD1-CD2 4.38Å; I558-F622 HydrophobicContact CD1-CE2 4.49Å; I558-F622 HydrophobicContact CG1-CD2 3.86Å; I558-F622 HydrophobicContact CG1-CE1 4.44Å; I558-F622 HydrophobicContact CG1-CE2 3.69Å; I558-F622 HydrophobicContact CG1-CG 4.32Å; I558-F622 HydrophobicContact CG1-CZ 3.99Å; Y561-F622 HydrophobicContact CD1-CE1 4.34Å; Y561-F622 HydrophobicContact CD2-CE1 4.09Å; Y561-F622 AromaticContact CG-CE1 3.77Å; Y561-F622 HydrophobicContact CG-CE1 3.77Å; F622-E624 PolarHBondContact O-N 3.42Å; F622-L625 HydrophobicContact CD1-CD1 4.1Å; F622-L625 HydrophobicContact CE1-CD1 4.37Å; F622-L625 PolarHBondContact O-N 3.44Å; F622-A626 WeakPolarHBondContact O-CB 3.48Å; F622-A626 PolarHBondContact O-N 3.32Å |
| 623 | Q | 96.4 | Very high | 95.3 | Very high | 108 Ų | 108 | 53.9 Ų | 53.9 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 173 | -174.5 | 62.3 | 37.1 | 0 | 0 | 111.9 | T621 L627 | T621-Q623 VanDerWaalsContact C-N 3.26Å; T621-Q623 PolarHBondContact O-N 2.63Å; Q623-L627 WeakPolarHBondContact O-CG 3.49Å; Q623-L627 PolarHBondContact O-N 3.37Å |
| 624 | E | 97.4 | Very high | 94.7 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 46% | 0.458 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 175.8 | -72.3 | 163.6 | 153.3 | 0 | 0 | 111.7 | P620 T621 F622 L627 N628 | P620-E624 WeakPolarHBondContact CA-OE2 3.42Å; P620-E624 HydrophobicContact CB-CB 4.25Å; T621-E624 PolarHBondContact N-OE2 3.19Å; T621-E624 PolarHBondContact O-N 3.14Å; T621-E624 WeakPolarHBondContact OG1-CB 3.38Å; T621-E624 VanDerWaalsContact OG1-CD 3.27Å; T621-E624 WeakPolarHBondContact OG1-CG 3.28Å; T621-E624 PolarHBondContact OG1-N 3.34Å; T621-E624 PolarHBondContact OG1-OE2 3.46Å; F622-E624 PolarHBondContact O-N 3.42Å; E624-L627 PolarHBondContact O-N 3.36Å; E624-N628 WeakPolarHBondContact O-CB 3.38Å; E624-N628 PolarHBondContact O-N 3.41Å; E624-N628 PolarHBondContact O-ND2 2.79Å; E624-N628 VanDerWaalsContact O-ND2 3.13Å |
| 625 | L | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.5 | -73.3 | 171.5 | 0 | 0 | 0 | 112.2 | I558 Y561 I607 P620 T621 F622 L627 N628 V629 | I558-L625 HydrophobicContact CG1-CD1 4.26Å; I558-L625 HydrophobicContact CG2-CD1 4.06Å; Y561-L625 HydrophobicContact CD1-CD1 3.72Å; Y561-L625 HydrophobicContact CE1-CB 4.42Å; Y561-L625 HydrophobicContact CE1-CD1 3.99Å; Y561-L625 HydrophobicContact CE1-CD2 4.37Å; I607-L625 HydrophobicContact CG2-CD2 3.66Å; P620-L625 HydrophobicContact CB-CD2 4.31Å; P620-L625 HydrophobicContact CB-CG 4.14Å; P620-L625 HydrophobicContact CG-CD1 4.12Å; P620-L625 HydrophobicContact CG-CD2 3.6Å; P620-L625 HydrophobicContact CG-CG 3.74Å; T621-L625 WeakPolarHBondContact O-CG 3.49Å; T621-L625 PolarHBondContact O-N 3.14Å; F622-L625 HydrophobicContact CD1-CD1 4.1Å; F622-L625 HydrophobicContact CE1-CD1 4.37Å; F622-L625 PolarHBondContact O-N 3.44Å; L625-L627 VanDerWaalsContact C-N 3.33Å; L625-L627 PolarHBondContact O-N 3.34Å; L625-N628 PolarHBondContact O-N 3Å; L625-V629 WeakPolarHBondContact O-CB 3.34Å; L625-V629 VanDerWaalsContact O-CG2 3.26Å; L625-V629 WeakPolarHBondContact O-CG2 3.22Å; L625-V629 PolarHBondContact O-N 3.32Å |
| 626 | A | 95.3 | Very high | 93.6 | Very high | 10 Ų | 10 | 57 Ų | 57 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S484 E485 F622 Q630 | S484-A626 WeakPolarHBondContact OG-CA 3.39Å; E485-A626 HydrophobicContact CG-CB 4.36Å; F622-A626 WeakPolarHBondContact O-CB 3.48Å; F622-A626 PolarHBondContact O-N 3.32Å; A626-Q630 WeakPolarHBondContact O-CB 3.18Å; A626-Q630 PolarHBondContact O-N 3.48Å |
| 627 | L | 93.9 | Very high | 92.6 | Very high | 90 Ų | 90 | 62 Ų | 62 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -49 | 174.6 | -69 | 172.4 | 0 | 0 | 0 | 111.9 | Q623 E624 L625 V629 Q630 D631 | Q623-L627 WeakPolarHBondContact O-CG 3.49Å; Q623-L627 PolarHBondContact O-N 3.37Å; E624-L627 PolarHBondContact O-N 3.36Å; L625-L627 VanDerWaalsContact C-N 3.33Å; L625-L627 PolarHBondContact O-N 3.34Å; L627-V629 VanDerWaalsContact C-N 3.31Å; L627-V629 PolarHBondContact O-N 3.16Å; L627-Q630 PolarHBondContact O-N 3.01Å; L627-D631 WeakPolarHBondContact O-CB 3.49Å; L627-D631 PolarHBondContact O-N 3.18Å |
| 628 | N | 95.1 | Very high | 92.5 | Very high | 79 Ų | 79 | 57.9 Ų | 57.9 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | -179.7 | -72.6 | -26.7 | 0 | 0 | 0 | 112.5 | E624 L625 L632 | E624-N628 WeakPolarHBondContact O-CB 3.38Å; E624-N628 PolarHBondContact O-N 3.41Å; E624-N628 PolarHBondContact O-ND2 2.79Å; E624-N628 VanDerWaalsContact O-ND2 3.13Å; L625-N628 PolarHBondContact O-N 3Å; N628-L632 VanDerWaalsContact O-CB 3.32Å; N628-L632 WeakPolarHBondContact O-CB 3.12Å; N628-L632 PolarHBondContact O-N 2.77Å |
| 629 | V | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.3 | -42.1 | 177 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L477 K481 I607 L625 L627 L632 L633 | L477-V629 HydrophobicContact CD1-CG1 3.78Å; L477-V629 HydrophobicContact CG-CG1 3.96Å; K481-V629 HydrophobicContact CB-CG1 3.62Å; K481-V629 HydrophobicContact CG-CG1 4.16Å; I607-V629 HydrophobicContact CD1-CG2 4.09Å; L625-V629 WeakPolarHBondContact O-CB 3.34Å; L625-V629 VanDerWaalsContact O-CG2 3.26Å; L625-V629 WeakPolarHBondContact O-CG2 3.22Å; L625-V629 PolarHBondContact O-N 3.32Å; L627-V629 VanDerWaalsContact C-N 3.31Å; L627-V629 PolarHBondContact O-N 3.16Å; V629-L632 PolarHBondContact O-N 3.49Å; V629-L633 HydrophobicContact CG1-CD1 4.33Å; V629-L633 WeakPolarHBondContact O-CG 3.37Å; V629-L633 PolarHBondContact O-N 2.69Å |
| 630 | Q | 91.5 | Very high | 91.9 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 177 | 176.2 | 63 | 87.9 | 0 | 0 | 112.2 | A626 L627 L633 Y634 | A626-Q630 WeakPolarHBondContact O-CB 3.18Å; A626-Q630 PolarHBondContact O-N 3.48Å; L627-Q630 PolarHBondContact O-N 3.01Å; Q630-L633 WeakPolarHBondContact O-CB 3.44Å; Q630-L633 PolarHBondContact O-N 2.89Å; Q630-Y634 HydrophobicContact CG-CD2 4.11Å; Q630-Y634 HydrophobicContact CG-CE2 3.58Å; Q630-Y634 WeakPolarHBondContact O-CD2 3.44Å; Q630-Y634 PolarHBondContact O-N 3.24Å; Q630-Y634 VanDerWaalsContact O-N 3.11Å |
| 631 | D | 91.9 | Very high | 91.6 | Very high | 91 Ų | 91 | 60.2 Ų | 60.2 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.2 | -73.3 | -16.5 | 0 | 0 | 0 | 110.8 | L627 L633 Y634 E635 | L627-D631 WeakPolarHBondContact O-CB 3.49Å; L627-D631 PolarHBondContact O-N 3.18Å; D631-L633 VanDerWaalsContact C-N 3.3Å; D631-L633 PolarHBondContact O-N 2.83Å; D631-Y634 WeakPolarHBondContact O-CB 3.4Å; D631-Y634 PolarHBondContact O-N 2.92Å; D631-Y634 VanDerWaalsContact O-N 3.15Å; D631-E635 PolarHBondContact O-N 3.18Å; D631-E635 VanDerWaalsContact O-N 3.1Å |
| 632 | L | 91.9 | Very high | 91.2 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -33.9 | 176.3 | -175.8 | 59.3 | 0 | 0 | 0 | 112.5 | L477 K603 V604 I607 N628 V629 E635 L636 | L477-L632 HydrophobicContact CD2-CB 4.15Å; L477-L632 HydrophobicContact CD2-CD2 3.99Å; L477-L632 HydrophobicContact CD2-CG 3.8Å; K603-L632 HydrophobicContact CB-CD1 3.79Å; K603-L632 HydrophobicContact CB-CD2 4.01Å; K603-L632 HydrophobicContact CD-CD1 3.57Å; K603-L632 HydrophobicContact CG-CD1 4.34Å; V604-L632 HydrophobicContact CG2-CD2 3.71Å; I607-L632 HydrophobicContact CD1-CD2 3.89Å; N628-L632 VanDerWaalsContact O-CB 3.32Å; N628-L632 WeakPolarHBondContact O-CB 3.12Å; N628-L632 PolarHBondContact O-N 2.77Å; V629-L632 PolarHBondContact O-N 3.49Å; L632-E635 PolarHBondContact O-N 3.2Å; L632-L636 HydrophobicContact CD1-CD1 4.14Å; L632-L636 HydrophobicContact CD1-CG 4.25Å; L632-L636 HydrophobicContact CG-CD1 3.99Å; L632-L636 HydrophobicContact CG-CG 4.5Å; L632-L636 VanDerWaalsContact O-CG 3.28Å; L632-L636 WeakPolarHBondContact O-CG 3.28Å; L632-L636 PolarHBondContact O-N 2.97Å |
| 633 | L | 89.1 | Confident | 90.7 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 171.9 | -85.1 | 167.4 | 0 | 0 | 0 | 111.4 | V474 L477 E478 K481 V629 Q630 D631 E635 L636 Q637 | V474-L633 HydrophobicContact CG1-CD2 3.95Å; L477-L633 HydrophobicContact CB-CD2 3.75Å; L477-L633 HydrophobicContact CB-CG 4.25Å; L477-L633 HydrophobicContact CD2-CB 4.49Å; L477-L633 HydrophobicContact CD2-CD2 3.83Å; L477-L633 HydrophobicContact CD2-CG 3.7Å; L477-L633 HydrophobicContact CG-CD1 4.46Å; L477-L633 HydrophobicContact CG-CD2 3.83Å; L477-L633 HydrophobicContact CG-CG 3.77Å; E478-L633 HydrophobicContact CG-CD1 4.33Å; E478-L633 HydrophobicContact CG-CD2 3.79Å; K481-L633 HydrophobicContact CB-CD1 3.74Å; K481-L633 HydrophobicContact CD-CD1 3.77Å; K481-L633 HydrophobicContact CG-CD1 3.85Å; V629-L633 HydrophobicContact CG1-CD1 4.33Å; V629-L633 WeakPolarHBondContact O-CG 3.37Å; V629-L633 PolarHBondContact O-N 2.69Å; Q630-L633 WeakPolarHBondContact O-CB 3.44Å; Q630-L633 PolarHBondContact O-N 2.89Å; D631-L633 VanDerWaalsContact C-N 3.3Å; D631-L633 PolarHBondContact O-N 2.83Å; L633-E635 VanDerWaalsContact C-N 3.26Å; L633-E635 PolarHBondContact O-N 3.13Å; L633-L636 PolarHBondContact O-N 3Å; L633-Q637 WeakPolarHBondContact O-CG 3.44Å; L633-Q637 PolarHBondContact O-N 3.35Å; L633-Q637 VanDerWaalsContact O-N 3.15Å |
| 634 | Y | 86.4 | Confident | 90.3 | Very high | 137 Ų | 137 | 62.2 Ų | 62.2 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -31.3 | 177 | -73.4 | -58.5 | 0 | 0 | 0 | 113.2 | Q630 D631 | Q630-Y634 HydrophobicContact CG-CD2 4.11Å; Q630-Y634 HydrophobicContact CG-CE2 3.58Å; Q630-Y634 WeakPolarHBondContact O-CD2 3.44Å; Q630-Y634 PolarHBondContact O-N 3.24Å; Q630-Y634 VanDerWaalsContact O-N 3.11Å; D631-Y634 WeakPolarHBondContact O-CB 3.4Å; D631-Y634 PolarHBondContact O-N 2.92Å; D631-Y634 VanDerWaalsContact O-N 3.15Å |
| 635 | E | 87 | Confident | 89.8 | Confident | 118 Ų | 118 | 59.5 Ų | 59.5 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -74.8 | -25.9 | 176.5 | -68.7 | -177.2 | 163.7 | 0 | 0 | 113.7 | K603 D631 L632 L633 | K603-E635 IonicContact NZ-OE1 2.65Å; K603-E635 PolarHBondContact NZ-OE1 3.38Å; K603-E635 IonicContact NZ-OE2 3.19Å; K603-E635 PolarHBondContact NZ-OE2 3.34Å; D631-E635 PolarHBondContact O-N 3.18Å; D631-E635 VanDerWaalsContact O-N 3.1Å; L632-E635 PolarHBondContact O-N 3.2Å; L633-E635 VanDerWaalsContact C-N 3.26Å; L633-E635 PolarHBondContact O-N 3.13Å |
| 636 | L | 77.8 | Confident | 89.1 | Confident | 63 Ų | 63 | 64.4 Ų | 64.4 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -96.7 | -12.3 | -174.8 | -67.8 | 175.1 | 0 | 0 | 0 | 113.7 | V474 L477 L632 L633 | V474-L636 HydrophobicContact CG2-CB 4.15Å; L477-L636 HydrophobicContact CD2-CD1 3.88Å; L632-L636 HydrophobicContact CD1-CD1 4.14Å; L632-L636 HydrophobicContact CD1-CG 4.25Å; L632-L636 HydrophobicContact CG-CD1 3.99Å; L632-L636 HydrophobicContact CG-CG 4.5Å; L632-L636 VanDerWaalsContact O-CG 3.28Å; L632-L636 WeakPolarHBondContact O-CG 3.28Å; L632-L636 PolarHBondContact O-N 2.97Å; L633-L636 PolarHBondContact O-N 3Å |
| 637 | Q | 75.2 | Confident | 88.5 | Confident | 130 Ų | 130 | 69.4 Ų | 69.4 | 61% | 0.607 | 33% | 0.334 | S | S | * | . | trans | -88.9 | 0 | 172.7 | -72.5 | 178.4 | -7.2 | 0 | 0 | 110.8 | V474 L633 | V474-Q637 HydrophobicContact CG1-CG 4.04Å; L633-Q637 WeakPolarHBondContact O-CG 3.44Å; L633-Q637 PolarHBondContact O-N 3.35Å; L633-Q637 VanDerWaalsContact O-N 3.15Å |
Retrieved 637 of 637 residues in 628.1 ms
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