| 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 | 35.9 | Very low | 57.4 | Low | 236 Ų | 236 | 130.3 Ų | 130.3 | 100% | 1.163 | 73% | 0.728 | S | S | * | * | 0 | 123 | 0 | -85.3 | 94.5 | 142.7 | 0 | 0 | 107.8 | G3 | M1-G3 PolarHBondContact O-N 3.34Å; M1-G3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | N | 40.9 | Very low | 59.8 | Low | 165 Ų | 165 | 131.3 Ų | 131.3 | 88% | 0.882 | 72% | 0.723 | S | S | * | * | trans | -68.4 | 110.3 | -178.6 | -65.4 | -14 | 0 | 0 | 0 | 109.1 | T4 | N2-T4 PolarHBondContact O-N 3.43Å; N2-T4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | G | 44 | Very low | 62.2 | Low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -64.4 | 107 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | M1 T5 | M1-G3 PolarHBondContact O-N 3.34Å; M1-G3 VanDerWaalsContact O-N 3.16Å; G3-T5 VanDerWaalsContact C-N 3.33Å; G3-T5 PolarHBondContact O-N 3.33Å | ||
| 4 | T | 46.6 | Very low | 64.2 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 63% | 0.632 | 71% | 0.709 | S | S | * | * | trans | -61.6 | 100.5 | 166.9 | 45.4 | 0 | 0 | 0 | 0 | 106.9 | N2 Y6 | N2-T4 PolarHBondContact O-N 3.43Å; N2-T4 VanDerWaalsContact O-N 3.11Å; T4-Y6 PolarHBondContact O-N 3.2Å | ||
| 5 | T | 49.4 | Very low | 66.2 | Low | 124 Ų | 124 | 131 Ų | 131 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | trans | -57.6 | 112 | 168.2 | 49.2 | 0 | 0 | 0 | 0 | 106.5 | G3 S7 | G3-T5 VanDerWaalsContact C-N 3.33Å; G3-T5 PolarHBondContact O-N 3.33Å; T5-S7 PolarHBondContact O-N 3.23Å | ||
| 6 | Y | 53.1 | Low | 68.1 | Low | 190 Ų | 190 | 128.7 Ų | 128.7 | 75% | 0.745 | 70% | 0.697 | S | S | * | * | trans | -67.3 | 80.7 | 176.5 | -69.5 | -87.6 | 0 | 0 | 0 | 109 | T4 H8 | T4-Y6 PolarHBondContact O-N 3.2Å; Y6-H8 PolarHBondContact O-N 3.23Å | ||
| 7 | S | 57.3 | Low | 69.7 | Low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 28.5 | 172.6 | 57 | 0 | 0 | 0 | 0 | 112.1 | T5 | T5-S7 PolarHBondContact O-N 3.23Š|
| 8 | H | 62.5 | Low | 71.2 | Confident | 115 Ų | 115 | 126.2 Ų | 126.2 | 53% | 0.532 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.2 | -11.2 | -175.9 | -110.3 | -99.4 | 0 | 0 | 0 | 112.9 | Y6 H92 | Y6-H8 PolarHBondContact O-N 3.23Å; H8-H92 AromaticContact CE1-CD2 3.99Å; H8-H92 AromaticContact CE1-NE2 3.9Å; H8-H92 AromaticContact CG-CE1 3.96Å; H8-H92 AromaticContact ND1-CD2 3.53Å; H8-H92 AromaticContact ND1-CE1 3.14Å; H8-H92 PolarHBondContact ND1-CE1 3.25Å; H8-H92 AromaticContact ND1-CG 3.85Å; H8-H92 AromaticContact ND1-ND1 3.61Å; H8-H92 AromaticContact ND1-NE2 3.02Å; H8-H92 PolarHBondContact ND1-NE2 3.47Å; H8-H92 PolarHBondContact O-CE1 2.84Å; H8-H92 VanDerWaalsContact O-CE1 3.26Å |
| 9 | F | 74.9 | Confident | 72.5 | Confident | 115 Ų | 115 | 119.9 Ų | 119.9 | 50% | 0.504 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -104.2 | 123.5 | 172.2 | -67 | -83.5 | 0 | 0 | 0 | 107.9 | V90 Y97 | F9-V90 HydrophobicContact CE1-CG2 3.75Å; F9-V90 HydrophobicContact CZ-CG2 4.12Å; F9-Y97 HydrophobicContact CD1-CE1 4.04Å; F9-Y97 AromaticContact CE1-CE1 3.95Å; F9-Y97 HydrophobicContact CE1-CE1 3.95Å |
| 10 | D | 82.1 | Confident | 73.6 | Confident | 79 Ų | 79 | 117.9 Ų | 117.9 | 42% | 0.422 | 63% | 0.631 | S | S | . | * | trans | -75.6 | 170.4 | 167.7 | 61.9 | 44.4 | 0 | 0 | 0 | 109.9 | Q12 H14 | D10-Q12 HydrophobicContact CB-CG 4.4Å; D10-Q12 PolarHBondContact O-N 3.28Å; D10-Q12 WeakPolarHBondContact OD1-CA 3.25Å; D10-Q12 VanDerWaalsContact OD1-CB 3.25Å; D10-Q12 WeakPolarHBondContact OD1-CB 3.43Å; D10-Q12 PolarHBondContact OD1-N 2.74Å; D10-H14 IonicContact OD1-CD2 2.67Å; D10-H14 IonicContact OD1-CE1 2.53Å; D10-H14 IonicContact OD1-NE2 3.92Å; D10-H14 PolarHBondContact OD1-NE2 2.87Å; D10-H14 IonicContact OD2-CE1 3.67Å; D10-H14 PolarHBondContact OD2-CE1 3.01Å; D10-H14 IonicContact OD2-NE2 3.55Å; D10-H14 PolarHBondContact OD2-NE2 3.44Å | ||
| 11 | S | 85.1 | Confident | 74.6 | Confident | 130 Ų | 130 | 113 Ų | 113 | 91% | 0.909 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -88.9 | 17.4 | 175.2 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 12 | Q | 86.3 | Confident | 77.4 | Confident | 142 Ų | 142 | 104.8 Ų | 104.8 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -90.5 | 155.8 | -178.1 | -55.7 | -169.8 | 10.1 | 0 | 0 | 110.8 | D10 H14 | D10-Q12 HydrophobicContact CB-CG 4.4Å; D10-Q12 PolarHBondContact O-N 3.28Å; D10-Q12 WeakPolarHBondContact OD1-CA 3.25Å; D10-Q12 VanDerWaalsContact OD1-CB 3.25Å; D10-Q12 WeakPolarHBondContact OD1-CB 3.43Å; D10-Q12 PolarHBondContact OD1-N 2.74Å; Q12-H14 PolarHBondContact O-CD2 3.41Å; Q12-H14 VanDerWaalsContact O-CD2 3.28Å |
| 13 | E | 90.1 | Very high | 79.9 | Confident | 200 Ų | 200 | 101.6 Ų | 101.6 | 94% | 0.935 | 54% | 0.543 | S | S | * | . | trans | -78.4 | 125.4 | 172.9 | -66.9 | -174.8 | 172 | 0 | 0 | 110 | ||||
| 14 | H | 90.5 | Very high | 82.3 | Confident | 68 Ų | 68 | 108.6 Ų | 108.6 | 32% | 0.315 | 55% | 0.554 | S | S | . | * | trans | -113.8 | 139.4 | 175.7 | -66.6 | -81.7 | 0 | 0 | 0 | 110.8 | D10 Q12 L16 Y97 | D10-H14 IonicContact OD1-CD2 2.67Å; D10-H14 IonicContact OD1-CE1 2.53Å; D10-H14 IonicContact OD1-NE2 3.92Å; D10-H14 PolarHBondContact OD1-NE2 2.87Å; D10-H14 IonicContact OD2-CE1 3.67Å; D10-H14 PolarHBondContact OD2-CE1 3.01Å; D10-H14 IonicContact OD2-NE2 3.55Å; D10-H14 PolarHBondContact OD2-NE2 3.44Å; Q12-H14 PolarHBondContact O-CD2 3.41Å; Q12-H14 VanDerWaalsContact O-CD2 3.28Å; H14-L16 PolarHBondContact O-N 3.31Å; H14-Y97 HydrophobicContact CB-CD1 4.34Å; H14-Y97 HydrophobicContact CB-CD2 3.41Å; H14-Y97 VanDerWaalsContact CB-CD2 3.41Å; H14-Y97 HydrophobicContact CB-CE1 4.45Å; H14-Y97 HydrophobicContact CB-CE2 3.56Å; H14-Y97 HydrophobicContact CB-CG 3.84Å; H14-Y97 AromaticContact CD2-CE2 3.53Å; H14-Y97 AromaticContact CD2-CZ 3.51Å; H14-Y97 PolarHBondContact CD2-OH 3.25Å; H14-Y97 AromaticContact CE1-CE2 3.76Å; H14-Y97 AromaticContact CG-CD2 3.57Å; H14-Y97 AromaticContact CG-CE2 3.15Å; H14-Y97 AromaticContact CG-CZ 3.62Å; H14-Y97 AromaticContact ND1-CD2 3.85Å; H14-Y97 AromaticContact ND1-CE2 3.33Å; H14-Y97 VanDerWaalsContact ND1-CE2 3.33Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.45Å; H14-Y97 AromaticContact NE2-CE2 3.87Å; H14-Y97 AromaticContact NE2-CZ 3.93Å; H14-Y97 PolarHBondContact NE2-OH 2.64Å | ||
| 15 | V | 94.4 | Very high | 84.4 | Confident | 122 Ų | 122 | 111.6 Ų | 111.6 | 74% | 0.739 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 117.4 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | K17 | V15-K17 PolarHBondContact O-N 3.32Š|
| 16 | L | 96 | Very high | 86.4 | Confident | 94 Ų | 94 | 109.2 Ų | 109.2 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117.9 | 174.7 | -173.2 | 66.3 | 0 | 0 | 0 | 110.7 | H14 L88 L99 | H14-L16 PolarHBondContact O-N 3.31Å; L16-L88 HydrophobicContact CD1-CD1 3.54Å; L16-L99 HydrophobicContact CD1-CB 4.07Å; L16-L99 HydrophobicContact CD2-CB 4.46Å; L16-L99 HydrophobicContact CD2-CD2 4.38Å; L16-L99 HydrophobicContact CG-CB 4.38Å |
| 17 | K | 96.6 | Very high | 88.2 | Confident | 103 Ų | 103 | 108.2 Ų | 108.2 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.8 | 173.6 | -64.5 | -177.7 | -170.9 | 174 | 0 | 110.7 | V15 E96 Y97 R98 L99 | V15-K17 PolarHBondContact O-N 3.32Å; K17-E96 HydrophobicContact CD-CG 4.13Å; K17-E96 WeakPolarHBondContact CD-OE1 3.35Å; K17-E96 WeakPolarHBondContact CE-OE1 3.37Å; K17-E96 IonicContact NZ-OE1 3.01Å; K17-E96 PolarHBondContact NZ-OE1 3.39Å; K17-Y97 PolarHBondContact N-O 2.78Å; K17-R98 CarbonylContact O-C 3.48Å; K17-R98 VanDerWaalsContact O-CA 3.3Å; K17-R98 WeakPolarHBondContact O-CA 3.11Å; K17-L99 PolarHBondContact O-N 2.82Å |
| 18 | L | 96.5 | Very high | 89.7 | Confident | 109 Ų | 109 | 105.2 Ų | 105.2 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.7 | 169.3 | -58.4 | -177.9 | 0 | 0 | 0 | 108.8 | F22 L99 | L18-F22 HydrophobicContact CB-CB 4.08Å; L18-F22 HydrophobicContact CB-CD2 4.07Å; L18-F22 HydrophobicContact CB-CG 4.04Å; L18-F22 HydrophobicContact CD1-CD1 4.31Å; L18-F22 HydrophobicContact CD1-CG 4.41Å; L18-F22 HydrophobicContact CD2-CD1 4.4Å; L18-F22 HydrophobicContact CD2-CD2 4.35Å; L18-F22 HydrophobicContact CD2-CE1 4.34Å; L18-F22 HydrophobicContact CD2-CE2 4.27Å; L18-F22 HydrophobicContact CD2-CG 4.42Å; L18-F22 HydrophobicContact CD2-CZ 4.27Å; L18-L99 HydrophobicContact CD2-CB 4.23Å; L18-L99 HydrophobicContact CD2-CD2 4.16Å |
| 19 | G | 94.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 102 Ų | 102 | 7% | 0.072 | 53% | 0.526 | C | S | . | . | trans | -81.5 | -176.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T21 F22 L99 E100 | G19-T21 PolarHBondContact O-N 3.37Å; G19-T21 VanDerWaalsContact O-N 3.16Å; G19-F22 PolarHBondContact O-N 3.44Å; G19-L99 PolarHBondContact N-O 2.95Å; G19-E100 VanDerWaalsContact CA-CD 3.49Å; G19-E100 WeakPolarHBondContact CA-OE1 3.33Å; G19-E100 WeakPolarHBondContact CA-OE2 3.35Å | ||
| 20 | E | 94.8 | Very high | 92.1 | Very high | 80 Ų | 80 | 99.9 Ų | 99.9 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -65.1 | -23.5 | -170.1 | -62.1 | -171.7 | 174.4 | 0 | 0 | 112.7 | F22 E23 E100 | E20-F22 PolarHBondContact O-N 3.42Å; E20-E23 VanDerWaalsContact O-CB 3.3Å; E20-E23 WeakPolarHBondContact O-CB 3.24Å; E20-E23 PolarHBondContact O-N 3.43Å; E20-E100 PolarHBondContact N-OE1 3.44Å; E20-E100 PolarHBondContact N-OE2 3.22Å |
| 21 | T | 94.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 100.2 Ų | 100.2 | 9% | 0.086 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | -67 | -12.9 | 175.5 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | G19 Y30 E100 K101 | G19-T21 PolarHBondContact O-N 3.37Å; G19-T21 VanDerWaalsContact O-N 3.16Å; T21-Y30 HydrophobicContact CG2-CD2 3.75Å; T21-Y30 HydrophobicContact CG2-CE2 4.03Å; T21-E100 VanDerWaalsContact CB-OE2 3.28Å; T21-E100 WeakPolarHBondContact CB-OE2 3.2Å; T21-E100 HydrophobicContact CG2-CB 4.46Å; T21-E100 VanDerWaalsContact CG2-OE2 3.25Å; T21-E100 WeakPolarHBondContact CG2-OE2 3.44Å; T21-E100 PolarHBondContact N-OE2 3.16Å; T21-E100 WeakPolarHBondContact OG1-CA 3.34Å; T21-E100 PolarHBondContact OG1-OE2 2.94Å; T21-K101 PolarHBondContact OG1-N 2.87Å |
| 22 | F | 94.2 | Very high | 93.3 | Very high | 64 Ų | 64 | 95.7 Ų | 95.7 | 28% | 0.281 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -90.3 | -8.8 | 172.9 | -71.1 | -94.3 | 0 | 0 | 0 | 113.2 | L18 G19 E20 L99 K101 | L18-F22 HydrophobicContact CB-CB 4.08Å; L18-F22 HydrophobicContact CB-CD2 4.07Å; L18-F22 HydrophobicContact CB-CG 4.04Å; L18-F22 HydrophobicContact CD1-CD1 4.31Å; L18-F22 HydrophobicContact CD1-CG 4.41Å; L18-F22 HydrophobicContact CD2-CD1 4.4Å; L18-F22 HydrophobicContact CD2-CD2 4.35Å; L18-F22 HydrophobicContact CD2-CE1 4.34Å; L18-F22 HydrophobicContact CD2-CE2 4.27Å; L18-F22 HydrophobicContact CD2-CG 4.42Å; L18-F22 HydrophobicContact CD2-CZ 4.27Å; G19-F22 PolarHBondContact O-N 3.44Å; E20-F22 PolarHBondContact O-N 3.42Å; F22-L99 HydrophobicContact CE2-CB 4.36Å; F22-L99 HydrophobicContact CE2-CD2 4.35Å; F22-L99 HydrophobicContact CE2-CG 4.21Å; F22-L99 VanDerWaalsContact CE2-O 3.25Å; F22-L99 WeakPolarHBondContact CE2-O 3.08Å; F22-L99 HydrophobicContact CZ-CD2 3.91Å; F22-L99 HydrophobicContact CZ-CG 4.2Å; F22-K101 HydrophobicContact CD1-CD 4.36Å; F22-K101 HydrophobicContact CD1-CG 4.25Å; F22-K101 HydrophobicContact CD2-CG 4.17Å; F22-K101 HydrophobicContact CE1-CD 4.23Å; F22-K101 HydrophobicContact CE1-CG 3.81Å; F22-K101 HydrophobicContact CE2-CG 3.73Å; F22-K101 HydrophobicContact CG-CG 4.41Å; F22-K101 HydrophobicContact CZ-CD 4.43Å; F22-K101 HydrophobicContact CZ-CG 3.53Å |
| 23 | E | 94.6 | Very high | 93.7 | Very high | 99 Ų | 99 | 92 Ų | 92 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -69.2 | 161 | 177.4 | -63.6 | -177.8 | -178.2 | 0 | 0 | 112.1 | E20 Q25 | E20-E23 VanDerWaalsContact O-CB 3.3Å; E20-E23 WeakPolarHBondContact O-CB 3.24Å; E20-E23 PolarHBondContact O-N 3.43Å; E23-Q25 PolarHBondContact O-N 3.18Å |
| 24 | K | 92.9 | Very high | 93.9 | Very high | 215 Ų | 215 | 90 Ų | 90 | 94% | 0.935 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -63 | -30 | 177.1 | -67.8 | -176 | -179.7 | -179 | 0 | 112.6 | ||
| 25 | Q | 92.3 | Very high | 94 | Very high | 167 Ų | 167 | 92.8 Ų | 92.8 | 78% | 0.78 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -132 | 84.6 | 178.9 | -69.4 | -171.7 | -2.1 | 0 | 0 | 108.8 | E23 K27 | E23-Q25 PolarHBondContact O-N 3.18Å; Q25-K27 PolarHBondContact O-N 3.11Å |
| 26 | P | 90.9 | Very high | 93.7 | Very high | 74 Ų | 74 | 91.8 Ų | 91.8 | 48% | 0.481 | 45% | 0.451 | S | S | . | . | trans | -66.5 | 132.2 | -178 | 27.8 | -34.2 | 0 | 0 | 0 | 110.2 | G28 | P26-G28 VanDerWaalsContact C-N 3.31Š| ||
| 27 | K | 90.3 | Very high | 93.2 | Very high | 169 Ų | 169 | 93.2 Ų | 93.2 | 74% | 0.735 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -80.2 | -14.8 | 177.9 | -64.7 | 175.5 | -173.2 | 162.1 | 0 | 113.3 | Q25 | Q25-K27 PolarHBondContact O-N 3.11Š|
| 28 | G | 90.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 93.2 Ų | 93.2 | 44% | 0.443 | 45% | 0.453 | S | S | . | . | trans | -153 | 174 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | P26 | P26-G28 VanDerWaalsContact C-N 3.31Š| ||
| 29 | A | 92.3 | Very high | 92.5 | Very high | 47 Ų | 47 | 88.4 Ų | 88.4 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | trans | -143 | 146.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N103 | A29-N103 HydrophobicContact CB-CB 3.93Š| ||
| 30 | Y | 95.2 | Very high | 92.4 | Very high | 72 Ų | 72 | 92.7 Ų | 92.7 | 28% | 0.282 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.6 | 173.3 | -66.3 | -94.9 | 0 | 0 | 0 | 110.3 | T21 I87 I89 E100 N103 | T21-Y30 HydrophobicContact CG2-CD2 3.75Å; T21-Y30 HydrophobicContact CG2-CE2 4.03Å; Y30-I87 HydrophobicContact CD1-CD1 3.43Å; Y30-I87 VanDerWaalsContact CD1-CD1 3.43Å; Y30-I87 HydrophobicContact CD2-CD1 4.42Å; Y30-I87 HydrophobicContact CE1-CD1 3.92Å; Y30-I87 HydrophobicContact CG-CD1 3.7Å; Y30-I89 HydrophobicContact CE1-CD1 3.97Å; Y30-E100 HydrophobicContact CD2-CB 3.68Å; Y30-E100 HydrophobicContact CD2-CG 4.09Å; Y30-E100 HydrophobicContact CE2-CB 3.57Å; Y30-E100 VanDerWaalsContact CE2-CD 3.46Å; Y30-E100 HydrophobicContact CE2-CG 3.42Å; Y30-E100 VanDerWaalsContact CE2-CG 3.42Å; Y30-E100 HydrophobicContact CG-CB 4.47Å; Y30-N103 WeakPolarHBondContact O-CB 3.5Å; Y30-N103 PolarHBondContact O-N 2.93Å |
| 31 | H | 95.3 | Very high | 92.3 | Very high | 85 Ų | 85 | 90.5 Ų | 90.5 | 39% | 0.394 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146 | -179.7 | -57.9 | -78.2 | 0 | 0 | 0 | 109.5 | S104 I106 | H31-S104 VanDerWaalsContact CA-O 3.28Å; H31-S104 WeakPolarHBondContact CA-O 3.49Å; H31-S104 WeakPolarHBondContact ND1-CB 3.5Å; H31-S104 PolarHBondContact ND1-N 3.06Å; H31-I106 HydrophobicContact CB-CD1 4.04Å |
| 32 | T | 95.6 | Very high | 92.3 | Very high | 36 Ų | 36 | 90.5 Ų | 90.5 | 22% | 0.221 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.8 | 171 | 61.9 | 0 | 0 | 0 | 0 | 109.3 | Y82 L102 S104 N105 I106 | T32-Y82 HydrophobicContact CG2-CE2 4.01Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.46Å; T32-Y82 PolarHBondContact OG1-OH 3.26Å; T32-L102 HydrophobicContact CG2-CD1 3.83Å; T32-L102 HydrophobicContact CG2-CD2 3.9Å; T32-S104 PolarHBondContact N-O 2.76Å; T32-N105 WeakPolarHBondContact OG1-CA 3.3Å; T32-N105 PolarHBondContact OG1-OD1 3.49Å; T32-I106 WeakPolarHBondContact O-CB 3.45Å; T32-I106 PolarHBondContact O-N 2.96Å |
| 33 | V | 95.8 | Very high | 92.3 | Very high | 65 Ų | 65 | 89 Ų | 89 | 39% | 0.394 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.4 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | I60 I106 V108 | V33-I60 HydrophobicContact CG1-CD1 3.49Å; V33-I60 VanDerWaalsContact CG1-CD1 3.49Å; V33-I60 HydrophobicContact CG2-CD1 4.44Å; V33-I106 CarbonylContact C-O 3.52Å; V33-I106 WeakPolarHBondContact CA-O 3.29Å; V33-I106 HydrophobicContact CG2-CB 4.16Å; V33-I106 HydrophobicContact CG2-CD1 4.12Å; V33-I106 HydrophobicContact CG2-CG2 4.49Å; V33-V108 HydrophobicContact CG1-CG2 4.31Å |
| 34 | R | 94.5 | Very high | 92.3 | Very high | 157 Ų | 157 | 89.3 Ų | 89.3 | 59% | 0.592 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 120.1 | 176.5 | -64.7 | -179.9 | 68.5 | -131.2 | 2.6 | 109.4 | I106 V108 | R34-I106 PolarHBondContact N-O 2.77Å; R34-V108 PolarHBondContact O-N 3.43Å |
| 35 | Y | 92.4 | Very high | 92.4 | Very high | 127 Ų | 127 | 83.9 Ų | 83.9 | 50% | 0.498 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 149.3 | 170.9 | 46.5 | -93.9 | 0 | 0 | 0 | 109.8 | K38 | Y35-K38 HydrophobicContact CD2-CB 3.95Å; Y35-K38 HydrophobicContact CE2-CB 3.55Å; Y35-K38 HydrophobicContact CE2-CD 4.47Å; Y35-K38 HydrophobicContact CE2-CG 4.49Å |
| 36 | D | 87.2 | Confident | 92.5 | Very high | 101 Ų | 101 | 79.1 Ų | 79.1 | 54% | 0.54 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -76.3 | -33 | 176.6 | 56 | -9.9 | 0 | 0 | 0 | 112.6 | K110 | D36-K110 PolarHBondContact OD1-N 3.16Š|
| 37 | F | 86.7 | Confident | 92.8 | Very high | 123 Ų | 123 | 84.6 Ų | 84.6 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | trans | -152.5 | 129.2 | -178.8 | 179.4 | -110.2 | 0 | 0 | 0 | 110.8 | P39 F75 | F37-P39 HydrophobicContact CD1-CB 4.22Å; F37-P39 HydrophobicContact CD1-CG 4.5Å; F37-P39 VanDerWaalsContact CE1-CA 3.47Å; F37-P39 HydrophobicContact CE1-CB 3.66Å; F37-P39 HydrophobicContact CE1-CG 4.41Å; F37-P39 HydrophobicContact CZ-CB 4.47Å; F37-P39 VanDerWaalsContact O-CD 3.31Å; F37-P39 WeakPolarHBondContact O-CD 3.47Å; F37-F75 VanDerWaalsContact O-CE1 3.29Å; F37-F75 WeakPolarHBondContact O-CE1 3.41Å; F37-F75 WeakPolarHBondContact O-CZ 3.3Å | ||
| 38 | K | 88.5 | Confident | 93 | Very high | 103 Ų | 103 | 78.8 Ų | 78.8 | 45% | 0.448 | 44% | 0.441 | S | S | . | . | trans | -99.5 | 102.5 | 168.3 | -175.9 | 178.7 | 178 | -178 | 0 | 108.9 | Y35 I42 T44 | Y35-K38 HydrophobicContact CD2-CB 3.95Å; Y35-K38 HydrophobicContact CE2-CB 3.55Å; Y35-K38 HydrophobicContact CE2-CD 4.47Å; Y35-K38 HydrophobicContact CE2-CG 4.49Å; K38-I42 HydrophobicContact CG-CD1 4.1Å; K38-T44 VanDerWaalsContact NZ-CG2 3.33Å | ||
| 39 | P | 90.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 81.8 Ų | 81.8 | 6% | 0.058 | 44% | 0.443 | C | S | . | . | trans | -62.6 | 145.9 | 176.4 | 22.3 | -31 | 0 | 0 | 0 | 111.6 | F37 S41 I42 T73 K110 | F37-P39 HydrophobicContact CD1-CB 4.22Å; F37-P39 HydrophobicContact CD1-CG 4.5Å; F37-P39 VanDerWaalsContact CE1-CA 3.47Å; F37-P39 HydrophobicContact CE1-CB 3.66Å; F37-P39 HydrophobicContact CE1-CG 4.41Å; F37-P39 HydrophobicContact CZ-CB 4.47Å; F37-P39 VanDerWaalsContact O-CD 3.31Å; F37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-S41 PolarHBondContact O-N 3.24Å; P39-S41 VanDerWaalsContact O-N 3.16Å; P39-I42 HydrophobicContact CG-CD1 3.63Å; P39-I42 HydrophobicContact CG-CG1 3.94Å; P39-I42 PolarHBondContact O-N 3.45Å; P39-T73 HydrophobicContact CG-CG2 4.2Å; P39-K110 HydrophobicContact CG-CD 4.42Å | ||
| 40 | A | 92.1 | Very high | 93.5 | Very high | 97 Ų | 97 | 84.1 Ų | 84.1 | 80% | 0.802 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | I42 | A40-I42 VanDerWaalsContact C-N 3.27Å; A40-I42 PolarHBondContact O-N 3.44Å |
| 41 | S | 92.4 | Very high | 93.5 | Very high | 33 Ų | 33 | 85.5 Ų | 85.5 | 23% | 0.231 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -13.8 | 177.6 | 63.3 | 0 | 0 | 0 | 0 | 113.6 | P39 D43 N64 L65 | P39-S41 PolarHBondContact O-N 3.24Å; P39-S41 VanDerWaalsContact O-N 3.16Å; S41-D43 PolarHBondContact O-N 3.26Å; S41-N64 CarbonylContact O-C 3.52Å; S41-N64 WeakPolarHBondContact O-CA 3.3Å; S41-N64 WeakPolarHBondContact O-CB 3.4Å; S41-N64 PolarHBondContact O-OD1 3.16Å; S41-N64 PolarHBondContact OG-OD1 3.04Å; S41-L65 PolarHBondContact O-N 2.86Å |
| 42 | I | 94.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 86 Ų | 86 | 8% | 0.077 | 47% | 0.466 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 128.7 | -180 | -74.6 | 162 | 0 | 0 | 0 | 109.7 | K38 P39 A40 T44 L62 T73 F75 | K38-I42 HydrophobicContact CG-CD1 4.1Å; P39-I42 HydrophobicContact CG-CD1 3.63Å; P39-I42 HydrophobicContact CG-CG1 3.94Å; P39-I42 PolarHBondContact O-N 3.45Å; A40-I42 VanDerWaalsContact C-N 3.27Å; A40-I42 PolarHBondContact O-N 3.44Å; I42-T44 PolarHBondContact O-N 3.47Å; I42-L62 HydrophobicContact CD1-CD1 3.92Å; I42-L62 HydrophobicContact CG1-CB 4.35Å; I42-L62 HydrophobicContact CG2-CB 4.22Å; I42-L62 HydrophobicContact CG2-CD1 4.22Å; I42-T73 HydrophobicContact CD1-CG2 4.44Å; I42-F75 HydrophobicContact CD1-CE2 3.97Å; I42-F75 HydrophobicContact CD1-CZ 4.11Å |
| 43 | D | 95.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 86.2 Ų | 86.2 | 17% | 0.166 | 48% | 0.476 | C | S | . | . | trans | -79.6 | 114.5 | 170.1 | -173.2 | -6.7 | 0 | 0 | 0 | 109.5 | S41 S45 C46 P63 L65 | S41-D43 PolarHBondContact O-N 3.26Å; D43-S45 VanDerWaalsContact C-N 3.34Å; D43-S45 VanDerWaalsContact CG-OG 3.3Å; D43-S45 WeakPolarHBondContact OD1-CB 3.13Å; D43-S45 PolarHBondContact OD1-N 3.09Å; D43-S45 PolarHBondContact OD1-OG 3.45Å; D43-S45 PolarHBondContact OD2-OG 3.02Å; D43-C46 HydrophobicContact CB-CB 4.49Å; D43-C46 PolarHBondContact OD2-SG 2.92Å; D43-P63 PolarHBondContact N-O 2.82Å; D43-L65 HydrophobicContact CB-CD2 3.79Å; D43-L65 HydrophobicContact CB-CG 4.26Å | ||
| 44 | T | 93.9 | Very high | 93.2 | Very high | 107 Ų | 107 | 92.5 Ų | 92.5 | 66% | 0.656 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -86 | -6.4 | 178.8 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | K38 I42 | K38-T44 VanDerWaalsContact NZ-CG2 3.33Å; I42-T44 PolarHBondContact O-N 3.47Å |
| 45 | S | 95.6 | Very high | 93.1 | Very high | 101 Ų | 101 | 88.4 Ų | 88.4 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -86 | -18.4 | 176 | 72.9 | 0 | 0 | 0 | 0 | 112.8 | D43 | D43-S45 VanDerWaalsContact C-N 3.34Å; D43-S45 VanDerWaalsContact CG-OG 3.3Å; D43-S45 WeakPolarHBondContact OD1-CB 3.13Å; D43-S45 PolarHBondContact OD1-N 3.09Å; D43-S45 PolarHBondContact OD1-OG 3.45Å; D43-S45 PolarHBondContact OD2-OG 3.02Å |
| 46 | C | 94.3 | Very high | 93.1 | Very high | 66 Ų | 66 | 86 Ų | 86 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -99.5 | 148.6 | 179.2 | -69 | 0 | 0 | 0 | 0 | 112 | D43 P63 | D43-C46 HydrophobicContact CB-CB 4.49Å; D43-C46 PolarHBondContact OD2-SG 2.92Å; C46-P63 HydrophobicContact CB-CB 4.2Å; C46-P63 HydrophobicContact CB-CG 3.38Å |
| 47 | E | 95.9 | Very high | 93.6 | Very high | 190 Ų | 190 | 87.2 Ų | 87.2 | 89% | 0.888 | 50% | 0.5 | S | S | * | . | trans | -71.6 | 150.6 | 174.8 | -64.2 | -174.9 | 167.2 | 0 | 0 | 111.6 | P63 | E47-P63 WeakPolarHBondContact O-CD 3.28Å; E47-P63 WeakPolarHBondContact O-CG 3.11Å | ||
| 48 | G | 95.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 81.4 Ų | 81.4 | 49% | 0.485 | 48% | 0.475 | S | S | . | . | trans | -115.3 | 165.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T61 | G48-T61 CarbonylContact C-O 3.56Å; G48-T61 VanDerWaalsContact CA-O 3.29Å; G48-T61 WeakPolarHBondContact CA-O 3.33Å | ||
| 49 | E | 96.5 | Very high | 94.5 | Very high | 105 Ų | 105 | 77.9 Ų | 77.9 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.4 | 179.3 | -175.3 | 174.3 | -151.3 | 0 | 0 | 110.8 | E51 I60 T61 | E49-E51 HydrophobicContact CG-CG 4.19Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.3Å; E49-I60 WeakPolarHBondContact O-CA 3.25Å; E49-T61 PolarHBondContact N-O 3.34Å; E49-T61 PolarHBondContact O-N 2.81Å |
| 50 | L | 96.3 | Very high | 94.8 | Very high | 97 Ų | 97 | 78.3 Ų | 78.3 | 51% | 0.508 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 113.7 | 175.5 | 174.9 | 77.7 | 0 | 0 | 0 | 108.7 | V58 T59 I60 | L50-V58 HydrophobicContact CD1-CG1 3.38Å; L50-V58 HydrophobicContact CG-CG1 4.47Å; L50-T59 WeakPolarHBondContact CA-O 3.48Å; L50-I60 HydrophobicContact CD1-CD1 3.96Å; L50-I60 HydrophobicContact CD1-CG1 3.5Å; L50-I60 VanDerWaalsContact CD1-CG1 3.5Å |
| 51 | E | 96.4 | Very high | 95 | Very high | 101 Ų | 101 | 75.2 Ų | 75.2 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.5 | 175.6 | -62.5 | -174.5 | 148.6 | 0 | 0 | 110.7 | E49 V58 T59 | E49-E51 HydrophobicContact CG-CG 4.19Å; E51-V58 CarbonylContact O-C 3.53Å; E51-V58 WeakPolarHBondContact O-CA 3.37Å; E51-T59 PolarHBondContact N-O 2.85Å; E51-T59 PolarHBondContact O-N 2.86Å |
| 52 | V | 94.5 | Very high | 95.1 | Very high | 94 Ų | 94 | 75.8 Ų | 75.8 | 57% | 0.57 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 106.5 | 170.4 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | Q57 V58 | V52-Q57 CarbonylContact C-O 3.6Å; V52-V58 HydrophobicContact CG2-CG2 4.43Å |
| 53 | G | 93.2 | Very high | 95.2 | Very high | 42 Ų | 42 | 76.5 Ų | 76.5 | 43% | 0.433 | 44% | 0.441 | S | S | . | . | trans | -84.8 | -175.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q57 | G53-Q57 PolarHBondContact N-O 2.74Š| ||
| 54 | K | 92.8 | Very high | 95.2 | Very high | 196 Ų | 196 | 76 Ų | 76 | 85% | 0.852 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -63.9 | 147.4 | 175.8 | -64 | -177.2 | -178.9 | -178.9 | 0 | 110.9 | E56 Q57 | K54-E56 VanDerWaalsContact C-N 3.31Å; K54-E56 PolarHBondContact O-N 3.14Å; K54-Q57 PolarHBondContact O-N 2.87Å |
| 55 | G | 91.7 | Very high | 95.3 | Very high | 71 Ų | 71 | 74.8 Ų | 74.8 | 73% | 0.732 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | 64.1 | 36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q57 | G55-Q57 PolarHBondContact O-N 3.24Å; G55-Q57 VanDerWaalsContact O-N 3.14Å |
| 56 | E | 92.9 | Very high | 95.1 | Very high | 77 Ų | 77 | 79.8 Ų | 79.8 | 36% | 0.36 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | 63.9 | 16.3 | 177.1 | -49 | -58.9 | -176.7 | 0 | 0 | 115.8 | K54 S78 K79 | K54-E56 VanDerWaalsContact C-N 3.31Å; K54-E56 PolarHBondContact O-N 3.14Å; E56-S78 CarbonylContact O-C 3.53Å; E56-S78 WeakPolarHBondContact O-CA 3.38Å; E56-S78 WeakPolarHBondContact O-CB 3.5Å; E56-K79 HydrophobicContact CB-CB 4.33Å; E56-K79 HydrophobicContact CB-CG 4.04Å; E56-K79 HydrophobicContact CG-CG 4.27Å; E56-K79 PolarHBondContact O-N 3.18Å; E56-K79 IonicContact OE1-NZ 2.74Å; E56-K79 PolarHBondContact OE1-NZ 3.31Å; E56-K79 WeakPolarHBondContact OE2-CD 3.35Å; E56-K79 VanDerWaalsContact OE2-CE 3.25Å; E56-K79 WeakPolarHBondContact OE2-CE 3.34Å; E56-K79 WeakPolarHBondContact OE2-CG 3.3Å; E56-K79 IonicContact OE2-NZ 3.5Å; E56-K79 PolarHBondContact OE2-NZ 3.04Å |
| 57 | Q | 96.1 | Very high | 94.9 | Very high | 126 Ų | 126 | 80.8 Ų | 80.8 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 136.9 | 173.2 | -68.5 | -178.8 | 41.1 | 0 | 0 | 109.8 | V52 G53 K54 G55 G77 | V52-Q57 CarbonylContact C-O 3.6Å; G53-Q57 PolarHBondContact N-O 2.74Å; K54-Q57 PolarHBondContact O-N 2.87Å; G55-Q57 PolarHBondContact O-N 3.24Å; G55-Q57 VanDerWaalsContact O-N 3.14Å; Q57-G77 WeakPolarHBondContact CA-O 3.28Å |
| 58 | V | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.006 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.6 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | L50 E51 V52 I60 K76 G77 K79 I106 | L50-V58 HydrophobicContact CD1-CG1 3.38Å; L50-V58 HydrophobicContact CG-CG1 4.47Å; E51-V58 CarbonylContact O-C 3.53Å; E51-V58 WeakPolarHBondContact O-CA 3.37Å; V52-V58 HydrophobicContact CG2-CG2 4.43Å; V58-I60 HydrophobicContact CG1-CG1 4.25Å; V58-K76 CarbonylContact O-C 3.54Å; V58-K76 WeakPolarHBondContact O-CA 3.4Å; V58-G77 PolarHBondContact N-O 2.82Å; V58-G77 PolarHBondContact O-N 2.99Å; V58-K79 HydrophobicContact CG2-CB 4.16Å; V58-I106 HydrophobicContact CB-CG2 3.89Å; V58-I106 HydrophobicContact CG1-CG2 3.79Å; V58-I106 HydrophobicContact CG2-CG2 4Å |
| 59 | T | 96.9 | Very high | 94.2 | Very high | 30 Ų | 30 | 79.1 Ų | 79.1 | 18% | 0.184 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130 | 172.4 | -56.3 | 0 | 0 | 0 | 0 | 108.6 | L50 E51 V74 F75 K76 | L50-T59 WeakPolarHBondContact CA-O 3.48Å; E51-T59 PolarHBondContact N-O 2.85Å; E51-T59 PolarHBondContact O-N 2.86Å; T59-V74 HydrophobicContact CG2-CG1 3.76Å; T59-F75 CarbonylContact C-O 3.55Å; T59-F75 WeakPolarHBondContact CA-O 3.47Å; T59-K76 HydrophobicContact CG2-CG 4.21Å |
| 60 | I | 96.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 75.5 Ų | 75.5 | 9% | 0.092 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.4 | 174.2 | -56.6 | 178.4 | 0 | 0 | 0 | 108 | V33 E49 L50 V58 L62 V74 F75 V108 | V33-I60 HydrophobicContact CG1-CD1 3.49Å; V33-I60 VanDerWaalsContact CG1-CD1 3.49Å; V33-I60 HydrophobicContact CG2-CD1 4.44Å; E49-I60 CarbonylContact O-C 3.56Å; E49-I60 VanDerWaalsContact O-CA 3.3Å; E49-I60 WeakPolarHBondContact O-CA 3.25Å; L50-I60 HydrophobicContact CD1-CD1 3.96Å; L50-I60 HydrophobicContact CD1-CG1 3.5Å; L50-I60 VanDerWaalsContact CD1-CG1 3.5Å; V58-I60 HydrophobicContact CG1-CG1 4.25Å; I60-L62 HydrophobicContact CG2-CD1 4.46Å; I60-L62 HydrophobicContact CG2-CD2 3.8Å; I60-L62 HydrophobicContact CG2-CG 3.91Å; I60-V74 CarbonylContact O-C 3.59Å; I60-V74 WeakPolarHBondContact O-CA 3.25Å; I60-F75 HydrophobicContact CB-CB 4.25Å; I60-F75 PolarHBondContact N-O 2.75Å; I60-F75 PolarHBondContact O-N 3.32Å; I60-V108 HydrophobicContact CD1-CG1 4.03Å; I60-V108 HydrophobicContact CD1-CG2 4.24Å; I60-V108 HydrophobicContact CG1-CG1 4.45Å |
| 61 | T | 96.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 76 Ų | 76 | 19% | 0.19 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.4 | 177.4 | -57.3 | 0 | 0 | 0 | 0 | 108.6 | G48 E49 V72 V74 | G48-T61 CarbonylContact C-O 3.56Å; G48-T61 VanDerWaalsContact CA-O 3.29Å; G48-T61 WeakPolarHBondContact CA-O 3.33Å; E49-T61 PolarHBondContact N-O 3.34Å; E49-T61 PolarHBondContact O-N 2.81Å; T61-V72 HydrophobicContact CG2-CB 3.97Å; T61-V72 HydrophobicContact CG2-CG1 4.18Å; T61-V72 HydrophobicContact CG2-CG2 4.19Å; T61-V74 HydrophobicContact CG2-CG2 4.16Å |
| 62 | L | 95.6 | Very high | 93.5 | Very high | 46 Ų | 46 | 74.3 Ų | 74.3 | 24% | 0.241 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.3 | 179.3 | -58.7 | -178.9 | 0 | 0 | 0 | 110.2 | I42 I60 V72 T73 F75 | I42-L62 HydrophobicContact CD1-CD1 3.92Å; I42-L62 HydrophobicContact CG1-CB 4.35Å; I42-L62 HydrophobicContact CG2-CB 4.22Å; I42-L62 HydrophobicContact CG2-CD1 4.22Å; I60-L62 HydrophobicContact CG2-CD1 4.46Å; I60-L62 HydrophobicContact CG2-CD2 3.8Å; I60-L62 HydrophobicContact CG2-CG 3.91Å; L62-V72 CarbonylContact O-C 3.46Å; L62-V72 WeakPolarHBondContact O-CA 3.28Å; L62-T73 PolarHBondContact N-O 3.37Å; L62-T73 PolarHBondContact O-N 3.32Å; L62-F75 HydrophobicContact CD1-CE2 4.08Å |
| 63 | P | 96.3 | Very high | 93.5 | Very high | 30 Ų | 30 | 70 Ų | 70 | 20% | 0.195 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 147.8 | 174.2 | 27.7 | -33.2 | 0 | 0 | 0 | 111.2 | D43 C46 E47 | D43-P63 PolarHBondContact N-O 2.82Å; C46-P63 HydrophobicContact CB-CB 4.2Å; C46-P63 HydrophobicContact CB-CG 3.38Å; E47-P63 WeakPolarHBondContact O-CD 3.28Å; E47-P63 WeakPolarHBondContact O-CG 3.11Å |
| 64 | N | 95.1 | Very high | 93.6 | Very high | 20 Ų | 20 | 69.8 Ų | 69.8 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -101.7 | 155.8 | 170.3 | -71.8 | -23.5 | 0 | 0 | 0 | 111 | S41 A70 P71 T73 | S41-N64 CarbonylContact O-C 3.52Å; S41-N64 WeakPolarHBondContact O-CA 3.3Å; S41-N64 WeakPolarHBondContact O-CB 3.4Å; S41-N64 PolarHBondContact O-OD1 3.16Å; S41-N64 PolarHBondContact OG-OD1 3.04Å; N64-A70 WeakPolarHBondContact CB-O 3.39Å; N64-A70 PolarHBondContact ND2-O 2.9Å; N64-P71 PolarHBondContact N-O 2.79Å; N64-T73 PolarHBondContact ND2-OG1 2.82Å; N64-T73 PolarHBondContact OD1-OG1 2.78Å |
| 65 | L | 95.3 | Very high | 93.8 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 43% | 0.429 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 145.6 | 171.1 | -63.5 | 170.7 | 0 | 0 | 0 | 110.9 | S41 D43 S68 | S41-L65 PolarHBondContact O-N 2.86Å; D43-L65 HydrophobicContact CB-CD2 3.79Å; D43-L65 HydrophobicContact CB-CG 4.26Å; L65-S68 VanDerWaalsContact O-CB 3.22Å; L65-S68 WeakPolarHBondContact O-CB 2.99Å; L65-S68 PolarHBondContact O-N 2.78Å; L65-S68 VanDerWaalsContact O-N 3.16Å; L65-S68 PolarHBondContact O-OG 3Å |
| 66 | E | 92.5 | Very high | 94 | Very high | 205 Ų | 205 | 62.9 Ų | 62.9 | 96% | 0.958 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 139.1 | 175.1 | -64 | -173.9 | 164.3 | 0 | 0 | 111.7 | S68 | E66-S68 VanDerWaalsContact C-N 3.31Š|
| 67 | G | 88.9 | Confident | 94.1 | Very high | 88 Ų | 88 | 60.3 Ų | 60.3 | 91% | 0.907 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -2.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 68 | S | 89.3 | Confident | 94.1 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | trans | -65.5 | 153.2 | 169.2 | -63.7 | 0 | 0 | 0 | 0 | 112 | L65 E66 A70 | L65-S68 VanDerWaalsContact O-CB 3.22Å; L65-S68 WeakPolarHBondContact O-CB 2.99Å; L65-S68 PolarHBondContact O-N 2.78Å; L65-S68 VanDerWaalsContact O-N 3.16Å; L65-S68 PolarHBondContact O-OG 3Å; E66-S68 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 3.25Å | ||
| 69 | T | 87 | Confident | 94 | Very high | 162 Ų | 162 | 60.1 Ų | 60.1 | 99% | 0.994 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -60.5 | -33 | 179.2 | -49.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 70 | A | 89.5 | Confident | 93.9 | Very high | 28 Ų | 28 | 67.5 Ų | 67.5 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -124.8 | 142.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | N64 S68 V72 | N64-A70 WeakPolarHBondContact CB-O 3.39Å; N64-A70 PolarHBondContact ND2-O 2.9Å; S68-A70 PolarHBondContact O-N 3.25Å; A70-V72 VanDerWaalsContact C-N 3.29Å; A70-V72 PolarHBondContact O-N 2.55Å |
| 71 | P | 91.7 | Very high | 93.8 | Very high | 107 Ų | 107 | 70.9 Ų | 70.9 | 70% | 0.695 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -70.9 | -25 | -177.7 | 28.4 | -35 | 0 | 0 | 0 | 112.9 | N64 | N64-P71 PolarHBondContact N-O 2.79Š|
| 72 | V | 94.4 | Very high | 93.7 | Very high | 66 Ų | 66 | 71.5 Ų | 71.5 | 40% | 0.4 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 154.9 | -179.6 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | T61 L62 A70 V74 | T61-V72 HydrophobicContact CG2-CB 3.97Å; T61-V72 HydrophobicContact CG2-CG1 4.18Å; T61-V72 HydrophobicContact CG2-CG2 4.19Å; L62-V72 CarbonylContact O-C 3.46Å; L62-V72 WeakPolarHBondContact O-CA 3.28Å; A70-V72 VanDerWaalsContact C-N 3.29Å; A70-V72 PolarHBondContact O-N 2.55Å; V72-V74 HydrophobicContact CG2-CG2 4.27Å |
| 73 | T | 94.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.031 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.6 | 166.9 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | P39 I42 L62 N64 F75 K110 | P39-T73 HydrophobicContact CG-CG2 4.2Å; I42-T73 HydrophobicContact CD1-CG2 4.44Å; L62-T73 PolarHBondContact N-O 3.37Å; L62-T73 PolarHBondContact O-N 3.32Å; N64-T73 PolarHBondContact ND2-OG1 2.82Å; N64-T73 PolarHBondContact OD1-OG1 2.78Å; T73-F75 HydrophobicContact CG2-CD2 4.03Å; T73-F75 HydrophobicContact CG2-CE2 3.4Å; T73-F75 HydrophobicContact CG2-CZ 3.78Å; T73-K110 HydrophobicContact CG2-CD 4.05Å; T73-K110 HydrophobicContact CG2-CG 3.86Å |
| 74 | V | 95 | Very high | 92.8 | Very high | 37 Ų | 37 | 86 Ų | 86 | 22% | 0.224 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.9 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | T59 I60 T61 V72 K76 T111 | T59-V74 HydrophobicContact CG2-CG1 3.76Å; I60-V74 CarbonylContact O-C 3.59Å; I60-V74 WeakPolarHBondContact O-CA 3.25Å; T61-V74 HydrophobicContact CG2-CG2 4.16Å; V72-V74 HydrophobicContact CG2-CG2 4.27Å; V74-K76 HydrophobicContact CG1-CG 4.26Å; V74-T111 VanDerWaalsContact CB-OG1 3.29Å; V74-T111 WeakPolarHBondContact CB-OG1 3.38Å; V74-T111 WeakPolarHBondContact CG1-OG1 3.33Å; V74-T111 PolarHBondContact O-N 3.38Å; V74-T111 PolarHBondContact O-OG1 2.83Å |
| 75 | F | 96.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 89.8 Ų | 89.8 | 2% | 0.022 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 138.4 | 170.1 | -61.4 | -99.3 | 0 | 0 | 0 | 109.7 | F37 I42 T59 I60 L62 T73 V108 K109 K110 | F37-F75 VanDerWaalsContact O-CE1 3.29Å; F37-F75 WeakPolarHBondContact O-CE1 3.41Å; F37-F75 WeakPolarHBondContact O-CZ 3.3Å; I42-F75 HydrophobicContact CD1-CE2 3.97Å; I42-F75 HydrophobicContact CD1-CZ 4.11Å; T59-F75 CarbonylContact C-O 3.55Å; T59-F75 WeakPolarHBondContact CA-O 3.47Å; I60-F75 HydrophobicContact CB-CB 4.25Å; I60-F75 PolarHBondContact N-O 2.75Å; I60-F75 PolarHBondContact O-N 3.32Å; L62-F75 HydrophobicContact CD1-CE2 4.08Å; T73-F75 HydrophobicContact CG2-CD2 4.03Å; T73-F75 HydrophobicContact CG2-CE2 3.4Å; T73-F75 HydrophobicContact CG2-CZ 3.78Å; F75-V108 HydrophobicContact CB-CB 3.81Å; F75-V108 HydrophobicContact CB-CG2 3.64Å; F75-V108 HydrophobicContact CD1-CG2 4.07Å; F75-V108 HydrophobicContact CG-CG2 4.11Å; F75-K109 CarbonylContact C-O 3.55Å; F75-K109 VanDerWaalsContact CA-O 3.23Å; F75-K109 WeakPolarHBondContact CA-O 3.28Å; F75-K110 VanDerWaalsContact CD1-CA 3.5Å; F75-K110 HydrophobicContact CD1-CB 3.93Å; F75-K110 VanDerWaalsContact CD1-N 3.35Å; F75-K110 HydrophobicContact CE1-CB 3.68Å; F75-K110 HydrophobicContact CE1-CG 4.24Å; F75-K110 HydrophobicContact CZ-CB 4.38Å; F75-K110 HydrophobicContact CZ-CG 4.48Å |
| 76 | K | 96.1 | Very high | 92.8 | Very high | 116 Ų | 116 | 88.4 Ų | 88.4 | 50% | 0.504 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.3 | 175.8 | -66.7 | -169.9 | 179.1 | -177.4 | 0 | 110.7 | V58 T59 V74 V108 K109 T111 | V58-K76 CarbonylContact O-C 3.54Å; V58-K76 WeakPolarHBondContact O-CA 3.4Å; T59-K76 HydrophobicContact CG2-CG 4.21Å; V74-K76 HydrophobicContact CG1-CG 4.26Å; K76-V108 WeakPolarHBondContact O-CA 3.38Å; K76-K109 PolarHBondContact N-O 3.35Å; K76-K109 PolarHBondContact O-N 3.16Å; K76-T111 HydrophobicContact CB-CG2 4.03Å; K76-T111 HydrophobicContact CD-CG2 3.96Å; K76-T111 HydrophobicContact CG-CG2 3.83Å |
| 77 | G | 95.9 | Very high | 93 | Very high | 23 Ų | 23 | 81.1 Ų | 81.1 | 24% | 0.237 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -159.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q57 V58 A107 | Q57-G77 WeakPolarHBondContact CA-O 3.28Å; V58-G77 PolarHBondContact N-O 2.82Å; V58-G77 PolarHBondContact O-N 2.99Å; G77-A107 WeakPolarHBondContact CA-O 3.23Å |
| 78 | S | 95.9 | Very high | 93.3 | Very high | 65 Ų | 65 | 81.1 Ų | 81.1 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 155.6 | 175.7 | 60.9 | 0 | 0 | 0 | 0 | 113 | E56 A107 | E56-S78 CarbonylContact O-C 3.53Å; E56-S78 WeakPolarHBondContact O-CA 3.38Å; E56-S78 WeakPolarHBondContact O-CB 3.5Å; S78-A107 PolarHBondContact N-O 2.75Å; S78-A107 PolarHBondContact O-N 3.16Å |
| 79 | K | 95.1 | Very high | 93.6 | Very high | 58 Ų | 58 | 81.8 Ų | 81.8 | 25% | 0.252 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134.8 | 173.6 | 121 | 176.2 | -172.4 | -104.3 | 0 | 110 | E56 V58 N105 I106 | E56-K79 HydrophobicContact CB-CB 4.33Å; E56-K79 HydrophobicContact CB-CG 4.04Å; E56-K79 HydrophobicContact CG-CG 4.27Å; E56-K79 PolarHBondContact O-N 3.18Å; E56-K79 IonicContact OE1-NZ 2.74Å; E56-K79 PolarHBondContact OE1-NZ 3.31Å; E56-K79 WeakPolarHBondContact OE2-CD 3.35Å; E56-K79 VanDerWaalsContact OE2-CE 3.25Å; E56-K79 WeakPolarHBondContact OE2-CE 3.34Å; E56-K79 WeakPolarHBondContact OE2-CG 3.3Å; E56-K79 IonicContact OE2-NZ 3.5Å; E56-K79 PolarHBondContact OE2-NZ 3.04Å; V58-K79 HydrophobicContact CG2-CB 4.16Å; K79-N105 CarbonylContact C-O 3.42Å; K79-N105 WeakPolarHBondContact CA-O 3.3Å; K79-I106 HydrophobicContact CB-CG1 4.13Å |
| 80 | R | 94.8 | Very high | 93.9 | Very high | 186 Ų | 186 | 75.4 Ų | 75.4 | 70% | 0.702 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.2 | 171 | -175.2 | -174.6 | -65.5 | 163.6 | -1.4 | 109.3 | S104 N105 | R80-S104 CarbonylContact O-C 3.54Å; R80-S104 WeakPolarHBondContact O-CA 3.34Å; R80-S104 VanDerWaalsContact O-CB 3.3Å; R80-S104 WeakPolarHBondContact O-CB 3.35Å; R80-N105 PolarHBondContact N-O 2.53Å; R80-N105 PolarHBondContact O-N 2.85Å |
| 81 | P | 94.9 | Very high | 94 | Very high | 89 Ų | 89 | 76.8 Ų | 76.8 | 58% | 0.578 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 142.5 | 177.2 | -24.5 | 34.5 | 0 | 0 | 0 | 113 | N103 | P81-N103 WeakPolarHBondContact CA-O 3.03Å |
| 82 | Y | 93.4 | Very high | 93.9 | Very high | 43 Ų | 43 | 76.6 Ų | 76.6 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | trans | -87.9 | 151 | 164.8 | -77.8 | -61.6 | 0 | 0 | 0 | 109.9 | T32 E85 L102 N103 S104 N105 | T32-Y82 HydrophobicContact CG2-CE2 4.01Å; T32-Y82 WeakPolarHBondContact OG1-CE2 3.46Å; T32-Y82 PolarHBondContact OG1-OH 3.26Å; Y82-E85 HydrophobicContact CD1-CB 4.13Å; Y82-E85 HydrophobicContact CD1-CG 3.87Å; Y82-E85 WeakPolarHBondContact CD1-OE1 3.46Å; Y82-E85 WeakPolarHBondContact CD1-OE2 3.31Å; Y82-E85 HydrophobicContact CE1-CG 4.3Å; Y82-E85 VanDerWaalsContact CE1-OE1 3.28Å; Y82-E85 WeakPolarHBondContact CE1-OE1 3.29Å; Y82-E85 WeakPolarHBondContact CE1-OE2 3.37Å; Y82-E85 HydrophobicContact CG-CB 4.18Å; Y82-E85 HydrophobicContact CG-CG 4.41Å; Y82-L102 WeakPolarHBondContact CB-O 3.37Å; Y82-L102 HydrophobicContact CD2-CB 3.54Å; Y82-L102 HydrophobicContact CD2-CD1 4.4Å; Y82-L102 HydrophobicContact CE2-CB 4.01Å; Y82-L102 HydrophobicContact CE2-CD1 4.09Å; Y82-L102 HydrophobicContact CG-CB 4.2Å; Y82-N103 PolarHBondContact N-O 2.89Å; Y82-S104 WeakPolarHBondContact CE2-O 3.29Å; Y82-N105 HydrophobicContact CD2-CB 4.47Å; Y82-N105 HydrophobicContact CE1-CB 3.94Å; Y82-N105 HydrophobicContact CE2-CB 3.74Å; Y82-N105 VanDerWaalsContact CZ-CB 3.44Å; Y82-N105 WeakPolarHBondContact OH-CB 3.49Å; Y82-N105 PolarHBondContact OH-ND2 2.67Å; Y82-N105 VanDerWaalsContact OH-ND2 3.14Å | ||
| 83 | M | 85.9 | Confident | 93.8 | Very high | 184 Ų | 184 | 81 Ų | 81 | 91% | 0.906 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -100.4 | -44.7 | -177.9 | -62.7 | -169.4 | 76.4 | 0 | 0 | 113.2 | ||
| 84 | K | 88.4 | Confident | 93.7 | Very high | 198 Ų | 198 | 85.2 Ų | 85.2 | 86% | 0.861 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -145.4 | 23.4 | -173.5 | -62.7 | -173.1 | 179.1 | -178.8 | 0 | 113.1 | ||
| 85 | E | 95.3 | Very high | 93.4 | Very high | 98 Ų | 98 | 85.3 Ų | 85.3 | 46% | 0.458 | 44% | 0.442 | S | S | . | . | trans | -90.6 | 142.7 | 180 | -64.6 | -169.6 | -160.2 | 0 | 0 | 110.9 | Y82 L102 | Y82-E85 HydrophobicContact CD1-CB 4.13Å; Y82-E85 HydrophobicContact CD1-CG 3.87Å; Y82-E85 WeakPolarHBondContact CD1-OE1 3.46Å; Y82-E85 WeakPolarHBondContact CD1-OE2 3.31Å; Y82-E85 HydrophobicContact CE1-CG 4.3Å; Y82-E85 VanDerWaalsContact CE1-OE1 3.28Å; Y82-E85 WeakPolarHBondContact CE1-OE1 3.29Å; Y82-E85 WeakPolarHBondContact CE1-OE2 3.37Å; Y82-E85 HydrophobicContact CG-CB 4.18Å; Y82-E85 HydrophobicContact CG-CG 4.41Å; E85-L102 HydrophobicContact CB-CB 4.14Å; E85-L102 HydrophobicContact CB-CD1 4.08Å; E85-L102 PolarHBondContact O-N 2.87Å | ||
| 86 | C | 95.6 | Very high | 93.3 | Very high | 54 Ų | 54 | 88 Ų | 88 | 37% | 0.365 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 156.4 | 178.1 | -61.7 | 0 | 0 | 0 | 0 | 109.6 | L99 E100 | C86-L99 HydrophobicContact CB-CD1 3.75Å; C86-L99 HydrophobicContact CB-CD2 4.3Å; C86-L99 HydrophobicContact CB-CG 3.91Å; C86-E100 CarbonylContact C-O 3.37Å; C86-E100 WeakPolarHBondContact CA-O 3.36Å; C86-E100 VanDerWaalsContact CB-O 3.28Å; C86-E100 WeakPolarHBondContact CB-O 3.22Å |
| 87 | I | 95.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 83.7 Ų | 83.7 | 26% | 0.262 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.7 | 167.2 | 54.6 | 172.5 | 0 | 0 | 0 | 109.4 | Y30 I89 L99 E100 L102 | Y30-I87 HydrophobicContact CD1-CD1 3.43Å; Y30-I87 VanDerWaalsContact CD1-CD1 3.43Å; Y30-I87 HydrophobicContact CD2-CD1 4.42Å; Y30-I87 HydrophobicContact CE1-CD1 3.92Å; Y30-I87 HydrophobicContact CG-CD1 3.7Å; I87-I89 HydrophobicContact CD1-CD1 4.17Å; I87-I89 HydrophobicContact CD1-CG1 4.2Å; I87-I89 HydrophobicContact CG1-CG1 4.45Å; I87-L99 WeakPolarHBondContact O-CA 3.25Å; I87-E100 HydrophobicContact CD1-CB 4.41Å; I87-E100 HydrophobicContact CG1-CB 3.92Å; I87-E100 PolarHBondContact N-O 3.14Å; I87-E100 PolarHBondContact O-N 3.45Å; I87-L102 HydrophobicContact CD1-CD2 4.49Å; I87-L102 HydrophobicContact CG1-CD2 4.5Å; I87-L102 HydrophobicContact CG2-CD1 3.78Å; I87-L102 HydrophobicContact CG2-CD2 3.72Å; I87-L102 HydrophobicContact CG2-CG 3.73Å |
| 88 | L | 95.4 | Very high | 93.3 | Very high | 88 Ų | 88 | 86.3 Ų | 86.3 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.1 | 168.7 | -179.2 | 63.8 | 0 | 0 | 0 | 108.3 | L16 V90 Y97 L99 | L16-L88 HydrophobicContact CD1-CD1 3.54Å; L88-V90 HydrophobicContact CD2-CG2 4.28Å; L88-V90 HydrophobicContact CG-CG2 4.07Å; L88-Y97 HydrophobicContact CD2-CD1 4.37Å; L88-L99 HydrophobicContact CB-CD1 4.4Å |
| 89 | I | 94.6 | Very high | 93.4 | Very high | 54 Ų | 54 | 85.1 Ų | 85.1 | 28% | 0.277 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 121.9 | 175 | -56.7 | 173.2 | 0 | 0 | 0 | 107.2 | Y30 I87 R98 E100 | Y30-I89 HydrophobicContact CE1-CD1 3.97Å; I87-I89 HydrophobicContact CD1-CD1 4.17Å; I87-I89 HydrophobicContact CD1-CG1 4.2Å; I87-I89 HydrophobicContact CG1-CG1 4.45Å; I89-R98 PolarHBondContact N-O 2.76Å; I89-R98 PolarHBondContact O-N 3.45Å; I89-E100 HydrophobicContact CD1-CG 3.97Å |
| 90 | V | 94.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 82.5 Ų | 82.5 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.2 | 179.2 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | F9 L88 E96 Y97 | F9-V90 HydrophobicContact CE1-CG2 3.75Å; F9-V90 HydrophobicContact CZ-CG2 4.12Å; L88-V90 HydrophobicContact CD2-CG2 4.28Å; L88-V90 HydrophobicContact CG-CG2 4.07Å; V90-E96 WeakPolarHBondContact CA-O 3.17Å; V90-Y97 HydrophobicContact CB-CE1 4.46Å; V90-Y97 HydrophobicContact CG1-CD1 4.24Å; V90-Y97 HydrophobicContact CG1-CD2 4.43Å; V90-Y97 HydrophobicContact CG1-CE1 3.81Å; V90-Y97 HydrophobicContact CG1-CE2 4.01Å; V90-Y97 HydrophobicContact CG2-CD1 3.79Å; V90-Y97 HydrophobicContact CG2-CE1 3.79Å |
| 91 | N | 92.6 | Very high | 93.5 | Very high | 57 Ų | 57 | 78 Ų | 78 | 31% | 0.305 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 107.4 | 172.1 | -174.5 | -27.5 | 0 | 0 | 0 | 108.6 | D93 T94 G95 E96 | N91-D93 VanDerWaalsContact C-N 3.3Å; N91-D93 PolarHBondContact O-N 3.43Å; N91-D93 WeakPolarHBondContact OD1-CA 3.49Å; N91-D93 WeakPolarHBondContact OD1-CB 3.4Å; N91-D93 PolarHBondContact OD1-N 3.41Å; N91-T94 VanDerWaalsContact CB-OG1 3.3Å; N91-T94 WeakPolarHBondContact CB-OG1 3.16Å; N91-T94 PolarHBondContact ND2-OG1 2.75Å; N91-T94 PolarHBondContact OD1-N 2.8Å; N91-T94 VanDerWaalsContact OD1-N 3.09Å; N91-G95 CarbonylContact O-C 3.56Å; N91-G95 VanDerWaalsContact O-CA 3.24Å; N91-G95 WeakPolarHBondContact O-CA 3.3Å; N91-G95 PolarHBondContact O-N 3.33Å; N91-E96 HydrophobicContact CB-CB 4.29Å; N91-E96 PolarHBondContact N-O 3.24Å; N91-E96 PolarHBondContact O-N 2.95Å |
| 92 | H | 89.7 | Confident | 93.6 | Very high | 102 Ų | 102 | 74.6 Ų | 74.6 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -23 | 179.8 | -67.9 | -69.6 | 0 | 0 | 0 | 113.5 | H8 | H8-H92 AromaticContact CE1-CD2 3.99Å; H8-H92 AromaticContact CE1-NE2 3.9Å; H8-H92 AromaticContact CG-CE1 3.96Å; H8-H92 AromaticContact ND1-CD2 3.53Å; H8-H92 AromaticContact ND1-CE1 3.14Å; H8-H92 PolarHBondContact ND1-CE1 3.25Å; H8-H92 AromaticContact ND1-CG 3.85Å; H8-H92 AromaticContact ND1-ND1 3.61Å; H8-H92 AromaticContact ND1-NE2 3.02Å; H8-H92 PolarHBondContact ND1-NE2 3.47Å; H8-H92 PolarHBondContact O-CE1 2.84Å; H8-H92 VanDerWaalsContact O-CE1 3.26Å |
| 93 | D | 91.9 | Very high | 93.6 | Very high | 160 Ų | 160 | 76.4 Ų | 76.4 | 86% | 0.856 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -37.6 | 178.7 | -57.7 | -37.8 | 0 | 0 | 0 | 111.4 | N91 | N91-D93 VanDerWaalsContact C-N 3.3Å; N91-D93 PolarHBondContact O-N 3.43Å; N91-D93 WeakPolarHBondContact OD1-CA 3.49Å; N91-D93 WeakPolarHBondContact OD1-CB 3.4Å; N91-D93 PolarHBondContact OD1-N 3.41Å |
| 94 | T | 92.1 | Very high | 94.1 | Very high | 92 Ų | 92 | 67.7 Ų | 67.7 | 56% | 0.564 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -13.1 | -179.1 | 66.3 | 0 | 0 | 0 | 0 | 114 | N91 E96 | N91-T94 VanDerWaalsContact CB-OG1 3.3Å; N91-T94 WeakPolarHBondContact CB-OG1 3.16Å; N91-T94 PolarHBondContact ND2-OG1 2.75Å; N91-T94 PolarHBondContact OD1-N 2.8Å; N91-T94 VanDerWaalsContact OD1-N 3.09Å; T94-E96 PolarHBondContact O-N 2.89Å; T94-E96 VanDerWaalsContact OG1-CB 3.3Å; T94-E96 WeakPolarHBondContact OG1-CB 3.42Å; T94-E96 PolarHBondContact OG1-N 3.42Å |
| 95 | G | 88.8 | Confident | 94.4 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 17.3 | -171 | 0 | 0 | 0 | 0 | 0 | 113.7 | N91 Y97 | N91-G95 CarbonylContact O-C 3.56Å; N91-G95 VanDerWaalsContact O-CA 3.24Å; N91-G95 WeakPolarHBondContact O-CA 3.3Å; N91-G95 PolarHBondContact O-N 3.33Å; G95-Y97 WeakPolarHBondContact O-CD2 3.41Å |
| 96 | E | 93.7 | Very high | 94.5 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.6 | -176.2 | -177.8 | 172.1 | -136.9 | 0 | 0 | 112.4 | K17 V90 N91 T94 | K17-E96 HydrophobicContact CD-CG 4.13Å; K17-E96 WeakPolarHBondContact CD-OE1 3.35Å; K17-E96 WeakPolarHBondContact CE-OE1 3.37Å; K17-E96 IonicContact NZ-OE1 3.01Å; K17-E96 PolarHBondContact NZ-OE1 3.39Å; V90-E96 WeakPolarHBondContact CA-O 3.17Å; N91-E96 HydrophobicContact CB-CB 4.29Å; N91-E96 PolarHBondContact N-O 3.24Å; N91-E96 PolarHBondContact O-N 2.95Å; T94-E96 PolarHBondContact O-N 2.89Å; T94-E96 VanDerWaalsContact OG1-CB 3.3Å; T94-E96 WeakPolarHBondContact OG1-CB 3.42Å; T94-E96 PolarHBondContact OG1-N 3.42Å |
| 97 | Y | 95.7 | Very high | 94.5 | Very high | 25 Ų | 25 | 55.4 Ų | 55.4 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 109.5 | 174.6 | -72.4 | -111.4 | 0 | 0 | 0 | 108.8 | F9 H14 K17 L88 V90 G95 | F9-Y97 HydrophobicContact CD1-CE1 4.04Å; F9-Y97 AromaticContact CE1-CE1 3.95Å; F9-Y97 HydrophobicContact CE1-CE1 3.95Å; H14-Y97 HydrophobicContact CB-CD1 4.34Å; H14-Y97 HydrophobicContact CB-CD2 3.41Å; H14-Y97 VanDerWaalsContact CB-CD2 3.41Å; H14-Y97 HydrophobicContact CB-CE1 4.45Å; H14-Y97 HydrophobicContact CB-CE2 3.56Å; H14-Y97 HydrophobicContact CB-CG 3.84Å; H14-Y97 AromaticContact CD2-CE2 3.53Å; H14-Y97 AromaticContact CD2-CZ 3.51Å; H14-Y97 PolarHBondContact CD2-OH 3.25Å; H14-Y97 AromaticContact CE1-CE2 3.76Å; H14-Y97 AromaticContact CG-CD2 3.57Å; H14-Y97 AromaticContact CG-CE2 3.15Å; H14-Y97 AromaticContact CG-CZ 3.62Å; H14-Y97 AromaticContact ND1-CD2 3.85Å; H14-Y97 AromaticContact ND1-CE2 3.33Å; H14-Y97 VanDerWaalsContact ND1-CE2 3.33Å; H14-Y97 WeakPolarHBondContact ND1-CE2 3.45Å; H14-Y97 AromaticContact NE2-CE2 3.87Å; H14-Y97 AromaticContact NE2-CZ 3.93Å; H14-Y97 PolarHBondContact NE2-OH 2.64Å; K17-Y97 PolarHBondContact N-O 2.78Å; L88-Y97 HydrophobicContact CD2-CD1 4.37Å; V90-Y97 HydrophobicContact CB-CE1 4.46Å; V90-Y97 HydrophobicContact CG1-CD1 4.24Å; V90-Y97 HydrophobicContact CG1-CD2 4.43Å; V90-Y97 HydrophobicContact CG1-CE1 3.81Å; V90-Y97 HydrophobicContact CG1-CE2 4.01Å; V90-Y97 HydrophobicContact CG2-CD1 3.79Å; V90-Y97 HydrophobicContact CG2-CE1 3.79Å; G95-Y97 WeakPolarHBondContact O-CD2 3.41Å |
| 98 | R | 96.1 | Very high | 94.5 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.2 | -175.7 | -174.5 | 172.2 | 63.8 | 170.9 | 2.1 | 111.6 | K17 I89 E100 | K17-R98 CarbonylContact O-C 3.48Å; K17-R98 VanDerWaalsContact O-CA 3.3Å; K17-R98 WeakPolarHBondContact O-CA 3.11Å; I89-R98 PolarHBondContact N-O 2.76Å; I89-R98 PolarHBondContact O-N 3.45Å; R98-E100 HydrophobicContact CG-CG 4.41Å; R98-E100 IonicContact CZ-OE1 2.74Å; R98-E100 IonicContact NE-OE1 3.44Å; R98-E100 IonicContact NH1-OE1 3.83Å |
| 99 | L | 96.9 | Very high | 94.5 | Very high | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.8 | 174.1 | -163.6 | 71.5 | 0 | 0 | 0 | 110.3 | L16 K17 L18 G19 F22 C86 I87 L88 | L16-L99 HydrophobicContact CD1-CB 4.07Å; L16-L99 HydrophobicContact CD2-CB 4.46Å; L16-L99 HydrophobicContact CD2-CD2 4.38Å; L16-L99 HydrophobicContact CG-CB 4.38Å; K17-L99 PolarHBondContact O-N 2.82Å; L18-L99 HydrophobicContact CD2-CB 4.23Å; L18-L99 HydrophobicContact CD2-CD2 4.16Å; G19-L99 PolarHBondContact N-O 2.95Å; F22-L99 HydrophobicContact CE2-CB 4.36Å; F22-L99 HydrophobicContact CE2-CD2 4.35Å; F22-L99 HydrophobicContact CE2-CG 4.21Å; F22-L99 VanDerWaalsContact CE2-O 3.25Å; F22-L99 WeakPolarHBondContact CE2-O 3.08Å; F22-L99 HydrophobicContact CZ-CD2 3.91Å; F22-L99 HydrophobicContact CZ-CG 4.2Å; C86-L99 HydrophobicContact CB-CD1 3.75Å; C86-L99 HydrophobicContact CB-CD2 4.3Å; C86-L99 HydrophobicContact CB-CG 3.91Å; I87-L99 WeakPolarHBondContact O-CA 3.25Å; L88-L99 HydrophobicContact CB-CD1 4.4Å |
| 100 | E | 97 | Very high | 94.4 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.3 | 175 | -63.8 | -80.6 | -166.6 | 0 | 0 | 110.1 | G19 E20 T21 Y30 C86 I87 I89 R98 | G19-E100 VanDerWaalsContact CA-CD 3.49Å; G19-E100 WeakPolarHBondContact CA-OE1 3.33Å; G19-E100 WeakPolarHBondContact CA-OE2 3.35Å; E20-E100 PolarHBondContact N-OE1 3.44Å; E20-E100 PolarHBondContact N-OE2 3.22Å; T21-E100 VanDerWaalsContact CB-OE2 3.28Å; T21-E100 WeakPolarHBondContact CB-OE2 3.2Å; T21-E100 HydrophobicContact CG2-CB 4.46Å; T21-E100 VanDerWaalsContact CG2-OE2 3.25Å; T21-E100 WeakPolarHBondContact CG2-OE2 3.44Å; T21-E100 PolarHBondContact N-OE2 3.16Å; T21-E100 WeakPolarHBondContact OG1-CA 3.34Å; T21-E100 PolarHBondContact OG1-OE2 2.94Å; Y30-E100 HydrophobicContact CD2-CB 3.68Å; Y30-E100 HydrophobicContact CD2-CG 4.09Å; Y30-E100 HydrophobicContact CE2-CB 3.57Å; Y30-E100 VanDerWaalsContact CE2-CD 3.46Å; Y30-E100 HydrophobicContact CE2-CG 3.42Å; Y30-E100 VanDerWaalsContact CE2-CG 3.42Å; Y30-E100 HydrophobicContact CG-CB 4.47Å; C86-E100 CarbonylContact C-O 3.37Å; C86-E100 WeakPolarHBondContact CA-O 3.36Å; C86-E100 VanDerWaalsContact CB-O 3.28Å; C86-E100 WeakPolarHBondContact CB-O 3.22Å; I87-E100 HydrophobicContact CD1-CB 4.41Å; I87-E100 HydrophobicContact CG1-CB 3.92Å; I87-E100 PolarHBondContact N-O 3.14Å; I87-E100 PolarHBondContact O-N 3.45Å; I89-E100 HydrophobicContact CD1-CG 3.97Å; R98-E100 HydrophobicContact CG-CG 4.41Å; R98-E100 IonicContact CZ-OE1 2.74Å; R98-E100 IonicContact NE-OE1 3.44Å; R98-E100 IonicContact NH1-OE1 3.83Å |
| 101 | K | 96.1 | Very high | 94.3 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 136.5 | 173.3 | -60.6 | -179.9 | -170.7 | 160.9 | 0 | 110.5 | T21 F22 | T21-K101 PolarHBondContact OG1-N 2.87Å; F22-K101 HydrophobicContact CD1-CD 4.36Å; F22-K101 HydrophobicContact CD1-CG 4.25Å; F22-K101 HydrophobicContact CD2-CG 4.17Å; F22-K101 HydrophobicContact CE1-CD 4.23Å; F22-K101 HydrophobicContact CE1-CG 3.81Å; F22-K101 HydrophobicContact CE2-CG 3.73Å; F22-K101 HydrophobicContact CG-CG 4.41Å; F22-K101 HydrophobicContact CZ-CD 4.43Å; F22-K101 HydrophobicContact CZ-CG 3.53Å |
| 102 | L | 96.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 131 | 163.3 | -74.1 | 175.2 | 0 | 0 | 0 | 109.3 | T32 Y82 E85 I87 | T32-L102 HydrophobicContact CG2-CD1 3.83Å; T32-L102 HydrophobicContact CG2-CD2 3.9Å; Y82-L102 WeakPolarHBondContact CB-O 3.37Å; Y82-L102 HydrophobicContact CD2-CB 3.54Å; Y82-L102 HydrophobicContact CD2-CD1 4.4Å; Y82-L102 HydrophobicContact CE2-CB 4.01Å; Y82-L102 HydrophobicContact CE2-CD1 4.09Å; Y82-L102 HydrophobicContact CG-CB 4.2Å; E85-L102 HydrophobicContact CB-CB 4.14Å; E85-L102 HydrophobicContact CB-CD1 4.08Å; E85-L102 PolarHBondContact O-N 2.87Å; I87-L102 HydrophobicContact CD1-CD2 4.49Å; I87-L102 HydrophobicContact CG1-CD2 4.5Å; I87-L102 HydrophobicContact CG2-CD1 3.78Å; I87-L102 HydrophobicContact CG2-CD2 3.72Å; I87-L102 HydrophobicContact CG2-CG 3.73Å |
| 103 | N | 94.2 | Very high | 92.8 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 43% | 0.433 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -39.7 | -176 | -166 | 30.6 | 0 | 0 | 0 | 112 | A29 Y30 P81 Y82 | A29-N103 HydrophobicContact CB-CB 3.93Å; Y30-N103 WeakPolarHBondContact O-CB 3.5Å; Y30-N103 PolarHBondContact O-N 2.93Å; P81-N103 WeakPolarHBondContact CA-O 3.03Å; Y82-N103 PolarHBondContact N-O 2.89Å |
| 104 | S | 95.3 | Very high | 91 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 152 | 178.2 | -45.6 | 0 | 0 | 0 | 0 | 114.2 | H31 T32 R80 Y82 | H31-S104 VanDerWaalsContact CA-O 3.28Å; H31-S104 WeakPolarHBondContact CA-O 3.49Å; H31-S104 WeakPolarHBondContact ND1-CB 3.5Å; H31-S104 PolarHBondContact ND1-N 3.06Å; T32-S104 PolarHBondContact N-O 2.76Å; R80-S104 CarbonylContact O-C 3.54Å; R80-S104 WeakPolarHBondContact O-CA 3.34Å; R80-S104 VanDerWaalsContact O-CB 3.3Å; R80-S104 WeakPolarHBondContact O-CB 3.35Å; Y82-S104 WeakPolarHBondContact CE2-O 3.29Å |
| 105 | N | 95.3 | Very high | 89.2 | Confident | 31 Ų | 31 | 61 Ų | 61 | 17% | 0.166 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.3 | 165.9 | -164.5 | -15.2 | 0 | 0 | 0 | 110 | T32 K79 R80 Y82 | T32-N105 WeakPolarHBondContact OG1-CA 3.3Å; T32-N105 PolarHBondContact OG1-OD1 3.49Å; K79-N105 CarbonylContact C-O 3.42Å; K79-N105 WeakPolarHBondContact CA-O 3.3Å; R80-N105 PolarHBondContact N-O 2.53Å; R80-N105 PolarHBondContact O-N 2.85Å; Y82-N105 HydrophobicContact CD2-CB 4.47Å; Y82-N105 HydrophobicContact CE1-CB 3.94Å; Y82-N105 HydrophobicContact CE2-CB 3.74Å; Y82-N105 VanDerWaalsContact CZ-CB 3.44Å; Y82-N105 WeakPolarHBondContact OH-CB 3.49Å; Y82-N105 PolarHBondContact OH-ND2 2.67Å; Y82-N105 VanDerWaalsContact OH-ND2 3.14Å |
| 106 | I | 96.9 | Very high | 87.4 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 106.1 | 176.7 | -58.3 | 172.1 | 0 | 0 | 0 | 106.7 | H31 T32 V33 R34 V58 K79 V108 | H31-I106 HydrophobicContact CB-CD1 4.04Å; T32-I106 WeakPolarHBondContact O-CB 3.45Å; T32-I106 PolarHBondContact O-N 2.96Å; V33-I106 CarbonylContact C-O 3.52Å; V33-I106 WeakPolarHBondContact CA-O 3.29Å; V33-I106 HydrophobicContact CG2-CB 4.16Å; V33-I106 HydrophobicContact CG2-CD1 4.12Å; V33-I106 HydrophobicContact CG2-CG2 4.49Å; R34-I106 PolarHBondContact N-O 2.77Å; V58-I106 HydrophobicContact CB-CG2 3.89Å; V58-I106 HydrophobicContact CG1-CG2 3.79Å; V58-I106 HydrophobicContact CG2-CG2 4Å; K79-I106 HydrophobicContact CB-CG1 4.13Å; I106-V108 HydrophobicContact CG2-CG1 3.79Å |
| 107 | A | 96.1 | Very high | 85.5 | Confident | 52 Ų | 52 | 61.5 Ų | 61.5 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G77 S78 | G77-A107 WeakPolarHBondContact CA-O 3.23Å; S78-A107 PolarHBondContact N-O 2.75Å; S78-A107 PolarHBondContact O-N 3.16Å |
| 108 | V | 96.3 | Very high | 83.4 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 152.8 | -178.4 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | V33 R34 I60 F75 K76 I106 | V33-V108 HydrophobicContact CG1-CG2 4.31Å; R34-V108 PolarHBondContact O-N 3.43Å; I60-V108 HydrophobicContact CD1-CG1 4.03Å; I60-V108 HydrophobicContact CD1-CG2 4.24Å; I60-V108 HydrophobicContact CG1-CG1 4.45Å; F75-V108 HydrophobicContact CB-CB 3.81Å; F75-V108 HydrophobicContact CB-CG2 3.64Å; F75-V108 HydrophobicContact CD1-CG2 4.07Å; F75-V108 HydrophobicContact CG-CG2 4.11Å; K76-V108 WeakPolarHBondContact O-CA 3.38Å; I106-V108 HydrophobicContact CG2-CG1 3.79Å |
| 109 | K | 95.5 | Very high | 81.6 | Confident | 147 Ų | 147 | 72 Ų | 72 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.3 | 173 | -68.1 | -172.7 | 175.3 | -179.3 | 0 | 110.4 | F75 K76 T111 | F75-K109 CarbonylContact C-O 3.55Å; F75-K109 VanDerWaalsContact CA-O 3.23Å; F75-K109 WeakPolarHBondContact CA-O 3.28Å; K76-K109 PolarHBondContact N-O 3.35Å; K76-K109 PolarHBondContact O-N 3.16Å; K109-T111 PolarHBondContact O-N 2.73Å |
| 110 | K | 93.2 | Very high | 79.6 | Confident | 89 Ų | 89 | 74.7 Ų | 74.7 | 39% | 0.387 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 123.3 | 174.7 | -170.8 | -177 | 178.9 | -169.7 | 0 | 109.5 | D36 P39 T73 F75 | D36-K110 PolarHBondContact OD1-N 3.16Å; P39-K110 HydrophobicContact CG-CD 4.42Å; T73-K110 HydrophobicContact CG2-CD 4.05Å; T73-K110 HydrophobicContact CG2-CG 3.86Å; F75-K110 VanDerWaalsContact CD1-CA 3.5Å; F75-K110 HydrophobicContact CD1-CB 3.93Å; F75-K110 VanDerWaalsContact CD1-N 3.35Å; F75-K110 HydrophobicContact CE1-CB 3.68Å; F75-K110 HydrophobicContact CE1-CG 4.24Å; F75-K110 HydrophobicContact CZ-CB 4.38Å; F75-K110 HydrophobicContact CZ-CG 4.48Å |
| 111 | T | 90.9 | Very high | 77.7 | Confident | 52 Ų | 52 | 77.8 Ų | 77.8 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 138.3 | 168.2 | 45.8 | 0 | 0 | 0 | 0 | 110.2 | V74 K76 K109 | V74-T111 VanDerWaalsContact CB-OG1 3.29Å; V74-T111 WeakPolarHBondContact CB-OG1 3.38Å; V74-T111 WeakPolarHBondContact CG1-OG1 3.33Å; V74-T111 PolarHBondContact O-N 3.38Å; V74-T111 PolarHBondContact O-OG1 2.83Å; K76-T111 HydrophobicContact CB-CG2 4.03Å; K76-T111 HydrophobicContact CD-CG2 3.96Å; K76-T111 HydrophobicContact CG-CG2 3.83Å; K109-T111 PolarHBondContact O-N 2.73Å |
| 112 | R | 83.8 | Confident | 75.9 | Confident | 158 Ų | 158 | 82.5 Ų | 82.5 | 60% | 0.596 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 137.7 | 173.2 | -165.5 | 176.9 | -174.8 | 171.6 | -0.7 | 108 | E114 S116 S117 | R112-E114 PolarHBondContact O-N 2.88Å; R112-S116 VanDerWaalsContact CZ-OG 3.29Å; R112-S116 PolarHBondContact NE-OG 2.71Å; R112-S116 VanDerWaalsContact NH2-C 3.31Å; R112-S116 PolarHBondContact NH2-O 2.91Å; R112-S116 PolarHBondContact NH2-OG 2.81Å; R112-S117 PolarHBondContact NH1-OG 3.23Å |
| 113 | A | 68 | Low | 74.3 | Confident | 62 Ų | 62 | 86.3 Ų | 86.3 | 51% | 0.512 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 125.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | G115 S116 | A113-G115 PolarHBondContact O-N 2.78Å; A113-S116 PolarHBondContact O-N 2.84Å |
| 114 | E | 53.5 | Low | 72.7 | Confident | 185 Ų | 185 | 88.7 Ų | 88.7 | 86% | 0.864 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 139.1 | 174 | -70.7 | -132.5 | 138.8 | 0 | 0 | 109.7 | R112 | R112-E114 PolarHBondContact O-N 2.88Š|
| 115 | G | 54.8 | Low | 71.1 | Confident | 52 Ų | 52 | 94.7 Ų | 94.7 | 54% | 0.536 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -5.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | A113 S117 | A113-G115 PolarHBondContact O-N 2.78Å; G115-S117 VanDerWaalsContact C-N 3.28Å; G115-S117 PolarHBondContact O-N 2.84Å |
| 116 | S | 51 | Low | 69.4 | Low | 67 Ų | 67 | 98.9 Ų | 98.9 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | trans | -76.8 | -10.9 | 178.3 | 170.6 | 0 | 0 | 0 | 0 | 114.1 | R112 A113 | R112-S116 VanDerWaalsContact CZ-OG 3.29Å; R112-S116 PolarHBondContact NE-OG 2.71Å; R112-S116 VanDerWaalsContact NH2-C 3.31Å; R112-S116 PolarHBondContact NH2-O 2.91Å; R112-S116 PolarHBondContact NH2-OG 2.81Å; A113-S116 PolarHBondContact O-N 2.84Å | ||
| 117 | S | 52 | Low | 67.7 | Low | 46 Ų | 46 | 102.2 Ų | 102.2 | 32% | 0.322 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -81.1 | 119.4 | 177.3 | -68.4 | 0 | 0 | 0 | 0 | 110.6 | R112 G115 I119 Q120 | R112-S117 PolarHBondContact NH1-OG 3.23Å; G115-S117 VanDerWaalsContact C-N 3.28Å; G115-S117 PolarHBondContact O-N 2.84Å; S117-I119 PolarHBondContact O-N 2.76Å; S117-Q120 PolarHBondContact O-N 3.24Å |
| 118 | K | 53.4 | Low | 65.9 | Low | 193 Ų | 193 | 102.7 Ų | 102.7 | 84% | 0.839 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -50.2 | -22.1 | 174.1 | -66.3 | -177.1 | 178.2 | -179.2 | 0 | 113.7 | S121 | K118-S121 PolarHBondContact O-OG 2.82Å |
| 119 | I | 56.4 | Low | 64.2 | Low | 130 Ų | 130 | 111.9 Ų | 111.9 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65 | -38.5 | 178.1 | -62.1 | 161.1 | 0 | 0 | 0 | 112.1 | S117 R122 I123 | S117-I119 PolarHBondContact O-N 2.76Å; I119-R122 PolarHBondContact O-N 3.41Å; I119-I123 PolarHBondContact O-N 2.82Å |
| 120 | Q | 55.5 | Low | 62.4 | Low | 97 Ų | 97 | 110.4 Ų | 110.4 | 45% | 0.453 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.9 | -37.9 | -175.9 | -157.7 | 164.4 | 7.2 | 0 | 0 | 111.4 | S117 R122 I123 E124 | S117-Q120 PolarHBondContact O-N 3.24Å; Q120-R122 PolarHBondContact O-N 2.74Å; Q120-I123 PolarHBondContact O-N 2.85Å; Q120-E124 PolarHBondContact O-N 2.89Å; Q120-E124 VanDerWaalsContact O-N 3.08Å |
| 121 | S | 56.9 | Low | 60.7 | Low | 68 Ų | 68 | 109.4 Ų | 109.4 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.4 | -31.5 | 174.2 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | K118 Q125 | K118-S121 PolarHBondContact O-OG 2.82Å; S121-Q125 WeakPolarHBondContact O-CB 3.48Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 3.5Å; S121-Q125 VanDerWaalsContact O-N 3.15Å |
| 122 | R | 58.9 | Low | 59.1 | Low | 191 Ų | 191 | 114.2 Ų | 114.2 | 72% | 0.721 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.1 | -40.6 | 178.9 | -126.7 | -175 | -168.4 | -142.1 | 4.3 | 111.9 | I119 Q120 E124 Q125 Q126 | I119-R122 PolarHBondContact O-N 3.41Å; Q120-R122 PolarHBondContact O-N 2.74Å; R122-E124 VanDerWaalsContact C-N 3.33Å; R122-Q125 PolarHBondContact O-N 3.47Å; R122-Q126 PolarHBondContact O-N 3.26Å |
| 123 | I | 61.4 | Low | 57.7 | Low | 96 Ų | 96 | 113.6 Ų | 113.6 | 49% | 0.492 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.6 | -45.4 | 175 | -107.7 | 74.7 | 0 | 0 | 0 | 110 | I119 Q120 Q125 Q126 T127 | I119-I123 PolarHBondContact O-N 2.82Å; Q120-I123 PolarHBondContact O-N 2.85Å; I123-Q125 PolarHBondContact O-N 3.44Å; I123-Q126 PolarHBondContact O-N 3.41Å; I123-Q126 VanDerWaalsContact O-N 3.11Å; I123-T127 HydrophobicContact CG2-CG2 4.42Å; I123-T127 WeakPolarHBondContact O-CG2 3.41Å; I123-T127 PolarHBondContact O-N 3.14Å |
| 124 | E | 61.1 | Low | 57 | Low | 132 Ų | 132 | 117.8 Ų | 117.8 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.9 | -32.9 | -176.7 | -144.7 | 167.8 | -159.4 | 0 | 0 | 112.4 | Q120 R122 T127 S128 | Q120-E124 PolarHBondContact O-N 2.89Å; Q120-E124 VanDerWaalsContact O-N 3.08Å; R122-E124 VanDerWaalsContact C-N 3.33Å; E124-T127 PolarHBondContact O-N 3.49Å; E124-T127 PolarHBondContact O-OG1 3.43Å; E124-S128 WeakPolarHBondContact O-CB 3.35Å; E124-S128 PolarHBondContact O-N 3.42Å; E124-S128 PolarHBondContact O-OG 2.98Å |
| 125 | Q | 62.7 | Low | 56.8 | Low | 126 Ų | 126 | 117.3 Ų | 117.3 | 59% | 0.589 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.3 | -32.5 | 169.1 | -81.4 | -175.5 | -19.2 | 0 | 0 | 113.1 | S121 R122 I123 S128 R129 | S121-Q125 WeakPolarHBondContact O-CB 3.48Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 3.5Å; S121-Q125 VanDerWaalsContact O-N 3.15Å; R122-Q125 PolarHBondContact O-N 3.47Å; I123-Q125 PolarHBondContact O-N 3.44Å; Q125-S128 WeakPolarHBondContact CA-OG 3.01Å; Q125-S128 PolarHBondContact O-OG 3.44Å; Q125-S128 VanDerWaalsContact O-OG 3.08Å; Q125-R129 WeakPolarHBondContact O-CG 3.32Å; Q125-R129 PolarHBondContact O-N 2.9Å |
| 126 | Q | 59.6 | Low | 56.4 | Low | 119 Ų | 119 | 120.7 Ų | 120.7 | 56% | 0.556 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.3 | -40.4 | 173.4 | -96.6 | -179.6 | -39.7 | 0 | 0 | 112.1 | R122 I123 R129 L130 | R122-Q126 PolarHBondContact O-N 3.26Å; I123-Q126 PolarHBondContact O-N 3.41Å; I123-Q126 VanDerWaalsContact O-N 3.11Å; Q126-R129 PolarHBondContact O-N 3.12Å; Q126-L130 PolarHBondContact O-N 2.87Å; Q126-L130 VanDerWaalsContact O-N 3.12Å |
| 127 | T | 60.2 | Low | 56.1 | Low | 79 Ų | 79 | 122 Ų | 122 | 49% | 0.485 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.3 | -35.7 | 179.7 | 74.3 | 0 | 0 | 0 | 0 | 112.2 | I123 E124 L130 S131 | I123-T127 HydrophobicContact CG2-CG2 4.42Å; I123-T127 WeakPolarHBondContact O-CG2 3.41Å; I123-T127 PolarHBondContact O-N 3.14Å; E124-T127 PolarHBondContact O-N 3.49Å; E124-T127 PolarHBondContact O-OG1 3.43Å; T127-L130 PolarHBondContact O-N 2.87Å; T127-S131 PolarHBondContact O-N 3.41Å; T127-S131 PolarHBondContact O-OG 3.47Å |
| 128 | S | 59.1 | Low | 55.9 | Low | 63 Ų | 63 | 126.3 Ų | 126.3 | 44% | 0.441 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.2 | -34.8 | 174.5 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | E124 Q125 S131 Q132 | E124-S128 WeakPolarHBondContact O-CB 3.35Å; E124-S128 PolarHBondContact O-N 3.42Å; E124-S128 PolarHBondContact O-OG 2.98Å; Q125-S128 WeakPolarHBondContact CA-OG 3.01Å; Q125-S128 PolarHBondContact O-OG 3.44Å; Q125-S128 VanDerWaalsContact O-OG 3.08Å; S128-S131 WeakPolarHBondContact CA-OG 3.42Å; S128-S131 PolarHBondContact O-OG 3.22Å; S128-Q132 PolarHBondContact O-N 2.89Å |
| 129 | R | 60.7 | Low | 55.2 | Low | 198 Ų | 198 | 122.4 Ų | 122.4 | 75% | 0.747 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.6 | -38.9 | 173.2 | -75.2 | -176.9 | 178.8 | -161.9 | 0.5 | 112.6 | Q125 Q126 | Q125-R129 WeakPolarHBondContact O-CG 3.32Å; Q125-R129 PolarHBondContact O-N 2.9Å; Q126-R129 PolarHBondContact O-N 3.12Å |
| 130 | L | 57.4 | Low | 54.1 | Low | 116 Ų | 116 | 122.1 Ų | 122.1 | 61% | 0.607 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.1 | -33.5 | -179.3 | -146.3 | 71.7 | 0 | 0 | 0 | 112.7 | Q126 T127 Q132 Q133 | Q126-L130 PolarHBondContact O-N 2.87Å; Q126-L130 VanDerWaalsContact O-N 3.12Å; T127-L130 PolarHBondContact O-N 2.87Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.46Å; L130-Q133 PolarHBondContact O-N 3.32Å |
| 131 | S | 57.3 | Low | 53.3 | Low | 68 Ų | 68 | 122.8 Ų | 122.8 | 48% | 0.476 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -75.6 | -18.5 | 178.5 | 46.5 | 0 | 0 | 0 | 0 | 114 | T127 S128 | T127-S131 PolarHBondContact O-N 3.41Å; T127-S131 PolarHBondContact O-OG 3.47Å; S128-S131 WeakPolarHBondContact CA-OG 3.42Å; S128-S131 PolarHBondContact O-OG 3.22Å |
| 132 | Q | 57.5 | Low | 52.2 | Low | 153 Ų | 153 | 124.6 Ų | 124.6 | 72% | 0.715 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -78.9 | -23 | 174 | -151.1 | 166.8 | 44.5 | 0 | 0 | 112.7 | S128 L130 M134 | S128-Q132 PolarHBondContact O-N 2.89Å; L130-Q132 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3.46Å; Q132-M134 VanDerWaalsContact C-N 3.34Å |
| 133 | Q | 55.1 | Low | 51.1 | Low | 144 Ų | 144 | 125.1 Ų | 125.1 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -77.5 | -17.7 | 177.9 | -164.3 | 170.3 | -6.7 | 0 | 0 | 113.4 | L130 | L130-Q133 PolarHBondContact O-N 3.32Š|
| 134 | M | 52.1 | Low | 49.9 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 74% | 0.739 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -90.3 | 1.1 | 179.9 | -62.3 | -63.9 | -174.8 | 0 | 0 | 114.1 | Q132 | Q132-M134 VanDerWaalsContact C-N 3.34Š|
| 135 | K | 48.7 | Very low | 49.5 | Very low | 175 Ų | 175 | 126.1 Ų | 126.1 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -105.7 | 1.7 | -178.1 | -68.7 | -173 | -176.6 | -179.9 | 0 | 114.9 | ||
| 136 | T | 47.8 | Very low | 48 | Very low | 123 Ų | 123 | 125 Ų | 125 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -103.9 | 11.9 | -176.9 | 54.4 | 0 | 0 | 0 | 0 | 115 | ||
| 137 | S | 43.4 | Very low | 46.7 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | -118.9 | 39.5 | -174.2 | 63.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 138 | V | 48.3 | Very low | 45.4 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -144.8 | 67.8 | 170.3 | -70.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 139 | S | 39.5 | Very low | 44.4 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -163.6 | 123.3 | 152.7 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 140 | S | 32.8 | Very low | 43 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | 118.9 | 114.2 | 140.5 | 78.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 141 | S | 39.2 | Very low | 42 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -76.5 | 150 | 172.2 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 142 | S | 34.3 | Very low | 42.2 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 122.7 | 130.4 | 133.9 | 79 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 143 | K | 35.3 | Very low | 42 | Very low | 202 Ų | 202 | 127.7 Ų | 127.7 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | trans | 77.4 | 123.2 | 150.3 | -71.6 | 179.2 | 175 | -179.7 | 0 | 121 | ||||
| 144 | T | 36.3 | Very low | 41 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -75 | 175.1 | 158.8 | 53.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 145 | P | 51.8 | Low | 40.8 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | cis | -150.8 | 179.3 | 25.6 | 41.5 | -18.4 | 0 | 0 | 0 | 120 | ||||
| 146 | A | 31.7 | Very low | 40.2 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | 77 | 134.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 147 | G | 31.3 | Very low | 40 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | 149.3 | 125.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 148 | S | 33.9 | Very low | 39.9 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -99.4 | 156.4 | -162.5 | 57.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 149 | K | 37.1 | Very low | 40.1 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | 81 | 133.1 | 145.8 | -71.6 | 169.4 | -178.3 | 179.1 | 0 | 121.9 | ||||
| 150 | S | 31.4 | Very low | 40.8 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 88.4 | 132.9 | 148.7 | 76.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 151 | S | 36.3 | Very low | 42.1 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -89.5 | -165.9 | -173.7 | -43.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 152 | P | 63.6 | Low | 43.2 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | -94.8 | -159.6 | -104.4 | 38.9 | -18 | 0 | 0 | 0 | 111.4 | |||||
| 153 | P | 52.3 | Low | 44.5 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | cis | -137.4 | 176.3 | 6.4 | 41.4 | -21.6 | 0 | 0 | 0 | 115.2 | ||||
| 154 | K | 34.7 | Very low | 46.1 | Very low | 199 Ų | 199 | 124.4 Ų | 124.4 | 87% | 0.865 | 75% | 0.745 | S | S | * | * | trans | 177.8 | 134.1 | 130.5 | -97.9 | 167.2 | -175.4 | -178.2 | 0 | 111.9 | ||||
| 155 | E | 46.4 | Very low | 47.8 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | -37.7 | 131.6 | 167.4 | -64.3 | 166.4 | 117.7 | 0 | 0 | 112.8 | ||||
| 156 | K | 38.1 | Very low | 48.8 | Very low | 198 Ų | 198 | 121.5 Ų | 121.5 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | -144.3 | 111.6 | 129.4 | -74.4 | -158.5 | 177.2 | -172.6 | 0 | 107.9 | S158 | K156-S158 PolarHBondContact O-N 3.31Å; K156-S158 VanDerWaalsContact O-N 3.17Å | |||
| 157 | M | 42.6 | Very low | 50.9 | Low | 178 Ų | 178 | 121.8 Ų | 121.8 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | trans | -54.4 | 113.7 | 161.1 | -66.6 | 153.7 | 162.7 | 0 | 0 | 107.7 | ||||
| 158 | S | 41.8 | Very low | 53.2 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 140.1 | 159.8 | -57.6 | 0 | 0 | 0 | 0 | 107.6 | K156 A160 | K156-S158 PolarHBondContact O-N 3.31Å; K156-S158 VanDerWaalsContact O-N 3.17Å; S158-A160 PolarHBondContact O-N 3.39Å |
| 159 | P | 51.4 | Low | 55.2 | Low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 133 | 174.2 | 28.9 | -30.5 | 0 | 0 | 0 | 107.8 | S161 | P159-S161 PolarHBondContact O-N 3.35Š|
| 160 | A | 54.8 | Low | 57 | Low | 69 Ų | 69 | 124.2 Ų | 124.2 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 133 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | S158 | S158-A160 PolarHBondContact O-N 3.39Š|
| 161 | S | 59.3 | Low | 59.3 | Low | 66 Ų | 66 | 124.3 Ų | 124.3 | 46% | 0.462 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 142.5 | 179.7 | -68.7 | 0 | 0 | 0 | 0 | 107.5 | P159 M163 D164 | P159-S161 PolarHBondContact O-N 3.35Å; S161-M163 PolarHBondContact O-N 3.25Å; S161-D164 PolarHBondContact N-OD2 3.24Å; S161-D164 WeakPolarHBondContact O-CB 3.35Å; S161-D164 PolarHBondContact O-N 3.37Å |
| 162 | P | 62.2 | Low | 61.2 | Low | 98 Ų | 98 | 121.6 Ų | 121.6 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -55.2 | -13 | 179.8 | -27.8 | 34.7 | 0 | 0 | 0 | 115.3 | I166 | P162-I166 WeakPolarHBondContact O-CD1 3.48Å; P162-I166 WeakPolarHBondContact O-CG1 3.5Å |
| 163 | M | 62.8 | Low | 61.5 | Low | 125 Ų | 125 | 122.2 Ų | 122.2 | 62% | 0.616 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.2 | -32.6 | 173.9 | -54.3 | -61.5 | 179.9 | 0 | 0 | 112.3 | S161 D165 I166 E167 | S161-M163 PolarHBondContact O-N 3.25Å; M163-D165 VanDerWaalsContact C-N 3.31Å; M163-D165 PolarHBondContact O-N 3.38Å; M163-I166 PolarHBondContact O-N 2.79Å; M163-E167 PolarHBondContact O-N 3.3Å |
| 164 | D | 69.1 | Low | 62.5 | Low | 82 Ų | 82 | 119.9 Ų | 119.9 | 44% | 0.439 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.4 | -33.6 | 179.4 | -63 | -52.3 | 0 | 0 | 0 | 111.3 | S161 R168 | S161-D164 PolarHBondContact N-OD2 3.24Å; S161-D164 WeakPolarHBondContact O-CB 3.35Å; S161-D164 PolarHBondContact O-N 3.37Å; D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 PolarHBondContact O-N 3.39Å |
| 165 | D | 71.6 | Confident | 64.2 | Low | 97 Ų | 97 | 117.3 Ų | 117.3 | 52% | 0.519 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69.9 | -41.5 | 175.7 | -69.3 | -31.1 | 0 | 0 | 0 | 111.1 | M163 R168 E169 | M163-D165 VanDerWaalsContact C-N 3.31Å; M163-D165 PolarHBondContact O-N 3.38Å; D165-R168 PolarHBondContact O-N 3.29Å; D165-E169 VanDerWaalsContact O-CB 3.32Å; D165-E169 WeakPolarHBondContact O-CB 3.44Å; D165-E169 PolarHBondContact O-N 3.23Å |
| 166 | I | 72.3 | Confident | 65.2 | Low | 90 Ų | 90 | 114 Ų | 114 | 46% | 0.462 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.5 | -43.2 | 177.6 | -63.9 | 165.6 | 0 | 0 | 0 | 110.8 | P162 M163 R168 E169 L170 | P162-I166 WeakPolarHBondContact O-CD1 3.48Å; P162-I166 WeakPolarHBondContact O-CG1 3.5Å; M163-I166 PolarHBondContact O-N 2.79Å; I166-R168 VanDerWaalsContact C-N 3.34Å; I166-E169 PolarHBondContact O-N 3.08Å; I166-L170 HydrophobicContact CG2-CD1 3.79Å; I166-L170 WeakPolarHBondContact O-CB 3.46Å; I166-L170 WeakPolarHBondContact O-CD1 3.37Å; I166-L170 WeakPolarHBondContact O-CG 3.49Å; I166-L170 PolarHBondContact O-N 3.23Å |
| 167 | E | 75.8 | Confident | 66.3 | Low | 109 Ų | 109 | 110.6 Ų | 110.6 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.1 | -39.8 | 177.5 | -171.7 | 175.2 | 179.2 | 0 | 0 | 111.4 | M163 L170 M171 | M163-E167 PolarHBondContact O-N 3.3Å; E167-L170 PolarHBondContact O-N 3.4Å; E167-M171 HydrophobicContact CG-CE 4.08Å; E167-M171 WeakPolarHBondContact O-CB 3.38Å; E167-M171 WeakPolarHBondContact O-CG 3.09Å; E167-M171 PolarHBondContact O-N 2.93Å |
| 168 | R | 80.8 | Confident | 67.1 | Low | 188 Ų | 188 | 108.3 Ų | 108.3 | 71% | 0.709 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.8 | -37.6 | 176.2 | -174.8 | 177.1 | -68.9 | -98.5 | -2.1 | 112.3 | D164 D165 I166 A172 | D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 PolarHBondContact O-N 3.39Å; D165-R168 PolarHBondContact O-N 3.29Å; I166-R168 VanDerWaalsContact C-N 3.34Å; R168-A172 WeakPolarHBondContact O-CB 3.4Å; R168-A172 PolarHBondContact O-N 3.35Å |
| 169 | E | 74.2 | Confident | 68 | Low | 138 Ų | 138 | 110 Ų | 110 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.1 | -44.3 | 176.5 | -168.4 | 167 | -171 | 0 | 0 | 111.3 | D165 I166 M171 A172 E173 | D165-E169 VanDerWaalsContact O-CB 3.32Å; D165-E169 WeakPolarHBondContact O-CB 3.44Å; D165-E169 PolarHBondContact O-N 3.23Å; I166-E169 PolarHBondContact O-N 3.08Å; E169-M171 PolarHBondContact O-N 3.36Å; E169-A172 WeakPolarHBondContact O-CB 3.17Å; E169-A172 PolarHBondContact O-N 3.05Å; E169-A172 VanDerWaalsContact O-N 3.17Å; E169-E173 WeakPolarHBondContact O-CB 3.44Å; E169-E173 PolarHBondContact O-N 3.17Å |
| 170 | L | 76.3 | Confident | 68.1 | Low | 107 Ų | 107 | 111.4 Ų | 111.4 | 56% | 0.56 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.7 | -41.7 | 174.8 | -77.8 | 161.5 | 0 | 0 | 0 | 112.6 | I166 E167 A172 E173 A174 | I166-L170 HydrophobicContact CG2-CD1 3.79Å; I166-L170 WeakPolarHBondContact O-CB 3.46Å; I166-L170 WeakPolarHBondContact O-CD1 3.37Å; I166-L170 WeakPolarHBondContact O-CG 3.49Å; I166-L170 PolarHBondContact O-N 3.23Å; E167-L170 PolarHBondContact O-N 3.4Å; L170-A172 VanDerWaalsContact C-N 3.33Å; L170-E173 PolarHBondContact O-N 3.46Å; L170-A174 WeakPolarHBondContact O-CB 3.43Å; L170-A174 PolarHBondContact O-N 2.89Å |
| 171 | M | 78.3 | Confident | 68 | Low | 124 Ų | 124 | 112.9 Ų | 112.9 | 61% | 0.611 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.3 | -34.2 | 175.3 | -77.4 | -170.5 | -170.2 | 0 | 0 | 112.4 | E167 E169 K175 | E167-M171 HydrophobicContact CG-CE 4.08Å; E167-M171 WeakPolarHBondContact O-CB 3.38Å; E167-M171 WeakPolarHBondContact O-CG 3.09Å; E167-M171 PolarHBondContact O-N 2.93Å; E169-M171 PolarHBondContact O-N 3.36Å; M171-K175 PolarHBondContact O-N 3.5Å |
| 172 | A | 77.6 | Confident | 67.5 | Low | 58 Ų | 58 | 115 Ų | 115 | 48% | 0.479 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.1 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R168 E169 L170 K175 V176 | R168-A172 WeakPolarHBondContact O-CB 3.4Å; R168-A172 PolarHBondContact O-N 3.35Å; E169-A172 WeakPolarHBondContact O-CB 3.17Å; E169-A172 PolarHBondContact O-N 3.05Å; E169-A172 VanDerWaalsContact O-N 3.17Å; L170-A172 VanDerWaalsContact C-N 3.33Å; A172-K175 PolarHBondContact O-N 3.15Å; A172-V176 WeakPolarHBondContact O-CG2 3.35Å; A172-V176 PolarHBondContact O-N 3.48Å |
| 173 | E | 69.3 | Low | 66.6 | Low | 136 Ų | 136 | 113.3 Ų | 113.3 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.7 | -41.6 | -179.9 | -157.8 | 178.7 | -172.7 | 0 | 0 | 112 | E169 L170 K175 V176 M177 | E169-E173 WeakPolarHBondContact O-CB 3.44Å; E169-E173 PolarHBondContact O-N 3.17Å; L170-E173 PolarHBondContact O-N 3.46Å; E173-K175 VanDerWaalsContact C-N 3.27Å; E173-K175 PolarHBondContact O-N 3.47Å; E173-V176 PolarHBondContact O-N 3.06Å; E173-V176 VanDerWaalsContact O-N 3.12Å; E173-M177 PolarHBondContact O-N 2.96Å |
| 174 | A | 72.6 | Confident | 65.8 | Low | 60 Ų | 60 | 114.2 Ų | 114.2 | 50% | 0.496 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.7 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L170 V176 M177 D178 | L170-A174 WeakPolarHBondContact O-CB 3.43Å; L170-A174 PolarHBondContact O-N 2.89Å; A174-V176 VanDerWaalsContact C-N 3.31Å; A174-V176 PolarHBondContact O-N 3.11Å; A174-M177 PolarHBondContact O-N 2.83Å; A174-D178 PolarHBondContact O-N 3.03Å |
| 175 | K | 70.7 | Confident | 64.5 | Low | 146 Ų | 146 | 115.5 Ų | 115.5 | 64% | 0.635 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -72.8 | -22.6 | 178.3 | -169.4 | 171.4 | -179 | 176.8 | 0 | 113.4 | M171 A172 E173 Q179 | M171-K175 PolarHBondContact O-N 3.5Å; A172-K175 PolarHBondContact O-N 3.15Å; E173-K175 VanDerWaalsContact C-N 3.27Å; E173-K175 PolarHBondContact O-N 3.47Å; K175-Q179 PolarHBondContact O-NE2 3.03Å |
| 176 | V | 68.7 | Low | 63.6 | Low | 99 Ų | 99 | 116 Ų | 116 | 60% | 0.6 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76 | -38.3 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | A172 E173 A174 D178 Q179 | A172-V176 WeakPolarHBondContact O-CG2 3.35Å; A172-V176 PolarHBondContact O-N 3.48Å; E173-V176 PolarHBondContact O-N 3.06Å; E173-V176 VanDerWaalsContact O-N 3.12Å; A174-V176 VanDerWaalsContact C-N 3.31Å; A174-V176 PolarHBondContact O-N 3.11Å; V176-D178 PolarHBondContact O-N 2.88Å; V176-Q179 PolarHBondContact O-N 2.81Å |
| 177 | M | 59.9 | Low | 62.3 | Low | 127 Ų | 127 | 117.2 Ų | 117.2 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.3 | -30.4 | 179.3 | -162.5 | 167.8 | 64.7 | 0 | 0 | 113.2 | E173 A174 Q179 M180 | E173-M177 PolarHBondContact O-N 2.96Å; A174-M177 PolarHBondContact O-N 2.83Å; M177-Q179 VanDerWaalsContact C-N 3.3Å; M177-Q179 PolarHBondContact O-N 3.5Å; M177-M180 HydrophobicContact CG-CE 3.98Å; M177-M180 HydrophobicContact CG-SD 4.4Å; M177-M180 WeakPolarHBondContact O-CG 3.42Å; M177-M180 PolarHBondContact O-N 2.97Å |
| 178 | D | 60.7 | Low | 61.3 | Low | 131 Ų | 131 | 118.6 Ų | 118.6 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.9 | -22.8 | 179 | -149.8 | 56.5 | 0 | 0 | 0 | 113 | A174 V176 | A174-D178 PolarHBondContact O-N 3.03Å; V176-D178 PolarHBondContact O-N 2.88Å |
| 179 | Q | 59.2 | Low | 59.5 | Low | 141 Ų | 141 | 115.6 Ų | 115.6 | 66% | 0.659 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -12.4 | 178.5 | -76 | -175 | 73.4 | 0 | 0 | 114.3 | K175 V176 M177 | K175-Q179 PolarHBondContact O-NE2 3.03Å; V176-Q179 PolarHBondContact O-N 2.81Å; M177-Q179 VanDerWaalsContact C-N 3.3Å; M177-Q179 PolarHBondContact O-N 3.5Å |
| 180 | M | 55.1 | Low | 58.8 | Low | 149 Ų | 149 | 117.2 Ų | 117.2 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 6.6 | 176.8 | 40.3 | -178 | -101.1 | 0 | 0 | 112.7 | M177 | M177-M180 HydrophobicContact CG-CE 3.98Å; M177-M180 HydrophobicContact CG-SD 4.4Å; M177-M180 WeakPolarHBondContact O-CG 3.42Å; M177-M180 PolarHBondContact O-N 2.97Å |
| 181 | S | 51.8 | Low | 57.2 | Low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | trans | -112.8 | 7.8 | -177.4 | -143.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 182 | S | 49.6 | Very low | 55.7 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -101.3 | 72 | 170.2 | 45.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 183 | G | 42.2 | Very low | 54.6 | Low | 63 Ų | 63 | 119.2 Ų | 119.2 | 65% | 0.649 | 72% | 0.715 | S | S | * | * | trans | -118.6 | 137.2 | 162 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 184 | D | 46.8 | Very low | 53.5 | Low | 144 Ų | 144 | 117.7 Ų | 117.7 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | -53.7 | 146 | -169.2 | 64.3 | -65.1 | 0 | 0 | 0 | 117.8 | ||||
| 185 | S | 41.4 | Very low | 52.4 | Low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | 153.7 | 131.5 | 109.4 | -93.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 186 | S | 51.8 | Low | 51.2 | Low | 108 Ų | 108 | 118.5 Ų | 118.5 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | trans | -68.5 | 148.5 | -178 | 49.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 187 | S | 45.2 | Very low | 49.9 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | 174.7 | 137.4 | 114.5 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 188 | D | 55.6 | Low | 49.4 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -65.1 | 160.7 | -179.8 | -50.2 | -82 | 0 | 0 | 0 | 114.9 | ||||
| 189 | S | 43 | Very low | 48.9 | Very low | 124 Ų | 124 | 116.5 Ų | 116.5 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | -173.6 | 130.6 | 126.6 | -78.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 190 | H | 59.2 | Low | 48.8 | Very low | 172 Ų | 172 | 115.5 Ų | 115.5 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | -82.8 | 152.3 | 175.1 | -56.4 | -88.4 | 0 | 0 | 0 | 112.4 | ||||
| 191 | S | 42.3 | Very low | 48.7 | Very low | 111 Ų | 111 | 114.2 Ų | 114.2 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 169.8 | 108.1 | 136.9 | 27.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 192 | S | 47.2 | Very low | 48.9 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | 86 | 120 | 85.9 | 68.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 193 | S | 54.9 | Low | 48.9 | Very low | 107 Ų | 107 | 115.3 Ų | 115.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -24.6 | 152 | 164.5 | 51.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 194 | S | 45.7 | Very low | 49.2 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 123.9 | 125.6 | 122 | 66.3 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 195 | S | 49 | Very low | 49.3 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 72.3 | 131.1 | 134.8 | 58.7 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 196 | S | 45.3 | Very low | 50 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | 89.4 | 141.1 | 126 | 59.1 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 197 | G | 42.6 | Very low | 49.7 | Very low | 60 Ų | 60 | 124.1 Ų | 124.1 | 62% | 0.619 | 79% | 0.791 | S | S | * | * | trans | 97.2 | 108.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 198 | D | 49.8 | Very low | 49.6 | Very low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 59 | 143.3 | 81.7 | 101.9 | -85.7 | 0 | 0 | 0 | 113.3 | |||||
| 199 | S | 48.6 | Very low | 49 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | cis | -165.1 | 174.2 | 12.4 | 36.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 200 | S | 56.9 | Low | 48.9 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | -63.9 | 156 | -174.4 | -27.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 201 | S | 53.7 | Low | 48.2 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | -170 | 142.7 | 126.2 | -149.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 202 | S | 56.4 | Low | 48.8 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -94.3 | 153.5 | 176 | 40.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 203 | S | 49.7 | Very low | 48.8 | Very low | 130 Ų | 130 | 130 Ų | 130 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -154.5 | 132.5 | 156.3 | -78.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 204 | D | 49.2 | Very low | 49.2 | Very low | 146 Ų | 146 | 130.7 Ų | 130.7 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | -123.2 | 139.4 | -178 | -153.7 | -45.3 | 0 | 0 | 0 | 105.3 | ||||
| 205 | S | 47.6 | Very low | 49.7 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -162.4 | 110.2 | 173.2 | -68.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 206 | E | 56.3 | Low | 49.2 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -110.2 | 136.2 | 160.2 | -48.6 | -162.6 | 134.4 | 0 | 0 | 107.7 | ||||
| 207 | D | 44.8 | Very low | 49.6 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -112.8 | 137.2 | -163.3 | -179.9 | 78.5 | 0 | 0 | 0 | 112.2 | ||||
| 208 | E | 44.9 | Very low | 49.4 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | 61.9 | 143.4 | 154.1 | -70.7 | -81.1 | 102.3 | 0 | 0 | 120.8 | ||||
| 209 | S | 41.6 | Very low | 48.7 | Very low | 79 Ų | 79 | 130 Ų | 130 | 55% | 0.552 | 80% | 0.797 | S | S | * | * | cis | 161.6 | 134 | -17.6 | -100.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 210 | R | 41.3 | Very low | 48.1 | Very low | 252 Ų | 252 | 128.8 Ų | 128.8 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | 178.4 | 116 | 140.8 | -97.8 | 164.7 | -153.4 | -99.9 | 3.4 | 111.8 | ||||
| 211 | H | 43.6 | Very low | 48 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -116.2 | -179 | 163.6 | -90.6 | -75.5 | 0 | 0 | 0 | 108 | ||||
| 212 | P | 55.5 | Low | 47 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | -139.8 | -171.1 | -56.3 | 41 | -23.4 | 0 | 0 | 0 | 112.2 | |||||
| 213 | P | 48.1 | Very low | 46.1 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -113.1 | 167.1 | 155 | 36.2 | -25.4 | 0 | 0 | 0 | 113.8 | ||||
| 214 | P | 61.6 | Low | 45.6 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -94.7 | 175.2 | -160.5 | 38.9 | -35.6 | 0 | 0 | 0 | 115.4 | ||||
| 215 | P | 56.2 | Low | 45.7 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -100.2 | 160.8 | -159.3 | 38 | -32 | 0 | 0 | 0 | 115.4 | ||||
| 216 | G | 39.8 | Very low | 46.2 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -148.5 | 153.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 217 | P | 53.4 | Low | 46.1 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -106.9 | 170.7 | -148.4 | 38.8 | -32.3 | 0 | 0 | 0 | 116.1 | ||||
| 218 | S | 37.6 | Very low | 45.6 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | 83.2 | 126.2 | 148.1 | 60.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 219 | G | 36 | Very low | 45.3 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 129.2 | 89.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 220 | G | 35.9 | Very low | 44.9 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 52.9 | 159.1 | 135.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 221 | P | 53.8 | Low | 44.7 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -113.8 | 178.6 | -154.3 | 31.8 | -13.3 | 0 | 0 | 0 | 115.3 | ||||
| 222 | L | 33.5 | Very low | 44.9 | Very low | 147 Ų | 147 | 119.1 Ų | 119.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 94.2 | 120.7 | 155.8 | -46.9 | 173.6 | 0 | 0 | 0 | 117.2 | ||||
| 223 | T | 37.5 | Very low | 43.9 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | 159.2 | 156.1 | 105.8 | 46 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 224 | A | 39.8 | Very low | 43.3 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -80.3 | -178.4 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 225 | P | 50.6 | Low | 41.9 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -98.5 | -153.9 | -165.9 | 44.1 | -37.5 | 0 | 0 | 0 | 112.2 | ||||
| 226 | P | 57.8 | Low | 40.7 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | cis | -116.6 | -136.2 | -45.4 | 35.6 | -14.7 | 0 | 0 | 0 | 108.1 | ||||
| 227 | P | 54 | Low | 40.4 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 59% | 0.591 | 79% | 0.79 | S | S | * | * | cis | -126.8 | -168.4 | -27.4 | 33.8 | -12.2 | 0 | 0 | 0 | 112.3 | ||||
| 228 | H | 35.7 | Very low | 39.3 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 163 | 108.9 | 133.7 | -80.8 | -67.6 | 0 | 0 | 0 | 112.9 | ||||
| 229 | Q | 37.5 | Very low | 38.9 | Very low | 192 Ų | 192 | 126.1 Ų | 126.1 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | 24.2 | 138.5 | 134.8 | -59.8 | -176.2 | -31.9 | 0 | 0 | 122.2 | ||||
| 230 | G | 33.7 | Very low | 38.7 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 156.5 | 100.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 231 | M | 37.7 | Very low | 38.7 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -75.2 | 156.2 | 154.4 | -60 | -76.3 | -165.7 | 0 | 0 | 108.8 | ||||
| 232 | P | 47.3 | Very low | 38 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | -156.7 | 154.5 | 92.1 | 37.1 | -16.1 | 0 | 0 | 0 | 118.9 | |||||
| 233 | I | 34.4 | Very low | 38.1 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | 60.5 | 138.8 | 129.4 | -57.3 | 174 | 0 | 0 | 0 | 123.8 | |||||
| 234 | L | 35.7 | Very low | 38.1 | Very low | 154 Ų | 154 | 129 Ų | 129 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -54.8 | 153.1 | 177.2 | -72.8 | 77.1 | 0 | 0 | 0 | 117.9 | ||||
| 235 | T | 32.7 | Very low | 38.7 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | -159.9 | 170.1 | 135.7 | -8.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 236 | T | 30.4 | Very low | 38.5 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -113.7 | 161.3 | -141.6 | -32.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 237 | V | 32.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | 59 | 142.2 | 158 | -88.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 238 | T | 30.8 | Very low | 37.7 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | cis | -169.1 | 153 | 34.4 | -12.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 239 | T | 30.6 | Very low | 38.4 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | 51.3 | 127 | 146.4 | -17.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 240 | T | 31.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 142.5 | 115 | 118 | -49.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 241 | T | 34.6 | Very low | 40.3 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | 17.6 | 145.6 | 152.5 | 64.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 242 | I | 38.9 | Very low | 41.4 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | 115 | 108.3 | 150.2 | -59 | 162.1 | 0 | 0 | 0 | 114.1 | ||||
| 243 | S | 35.9 | Very low | 41.9 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 171.5 | 123.4 | 132.1 | 39.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 244 | S | 39.3 | Very low | 43 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -71.7 | 177.5 | 152.9 | -37.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 245 | P | 51.7 | Low | 44.3 | Very low | 120 Ų | 120 | 121 Ų | 121 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | cis | -140 | -151 | 17.4 | 41.6 | -17 | 0 | 0 | 0 | 111.5 | ||||
| 246 | P | 45.3 | Very low | 45.6 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | cis | -131.6 | 163.2 | -4.4 | 37.7 | -17 | 0 | 0 | 0 | 118.3 | ||||
| 247 | R | 49.5 | Very low | 47.2 | Very low | 258 Ų | 258 | 122.2 Ų | 122.2 | 97% | 0.974 | 72% | 0.722 | S | S | * | * | trans | -70.7 | 127.9 | 167.5 | -86.4 | 159.6 | 85.8 | -159.9 | 10.7 | 110.6 | ||||
| 248 | G | 47.3 | Very low | 48.3 | Very low | 84 Ų | 84 | 122 Ų | 122 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | trans | -161.8 | 52.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 249 | G | 50.2 | Low | 49.8 | Very low | 54 Ų | 54 | 123.3 Ų | 123.3 | 56% | 0.557 | 72% | 0.72 | S | S | * | * | trans | -133.1 | -0.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | H251 | G249-H251 PolarHBondContact O-N 3.08Š| ||
| 250 | G | 52.5 | Low | 50.9 | Low | 62 Ų | 62 | 123.4 Ų | 123.4 | 64% | 0.639 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -78.6 | -15.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 251 | H | 57.8 | Low | 52.1 | Low | 161 Ų | 161 | 125.7 Ų | 125.7 | 75% | 0.745 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -87.6 | -21.7 | -170 | -134 | 62.7 | 0 | 0 | 0 | 114.1 | G249 S254 T255 | G249-H251 PolarHBondContact O-N 3.08Å; H251-S254 PolarHBondContact O-OG 3Å; H251-T255 PolarHBondContact O-OG1 3.21Å |
| 252 | L | 60.5 | Low | 52.5 | Low | 140 Ų | 140 | 127.1 Ų | 127.1 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -81.3 | -34.7 | -178.9 | -62.3 | 172.4 | 0 | 0 | 0 | 111.8 | ||
| 253 | M | 57.6 | Low | 52.6 | Low | 151 Ų | 151 | 124.9 Ų | 124.9 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -76 | -26.6 | -179 | -65.6 | -158.4 | 168.4 | 0 | 0 | 113.3 | K257 | M253-K257 PolarHBondContact O-N 3.5Å |
| 254 | S | 58.3 | Low | 53.2 | Low | 53 Ų | 53 | 128.6 Ų | 128.6 | 37% | 0.371 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -70.8 | -35.4 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | H251 K257 N258 | H251-S254 PolarHBondContact O-OG 3Å; S254-K257 PolarHBondContact O-N 3.34Å; S254-N258 PolarHBondContact O-N 3.12Å; S254-N258 PolarHBondContact O-ND2 2.8Å |
| 255 | T | 62 | Low | 53.6 | Low | 88 Ų | 88 | 128.6 Ų | 128.6 | 54% | 0.54 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -68.5 | -41.6 | -179.7 | -47.7 | 0 | 0 | 0 | 0 | 111.5 | H251 K257 N258 D259 | H251-T255 PolarHBondContact O-OG1 3.21Å; T255-K257 VanDerWaalsContact C-N 3.28Å; T255-K257 PolarHBondContact O-N 3.37Å; T255-N258 PolarHBondContact O-N 2.79Å; T255-D259 PolarHBondContact O-N 3.07Å |
| 256 | L | 61.3 | Low | 53.3 | Low | 114 Ų | 114 | 126.7 Ų | 126.7 | 60% | 0.597 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -65.4 | -31.9 | 178.6 | -63.1 | 172.4 | 0 | 0 | 0 | 112.5 | L260 | L256-L260 WeakPolarHBondContact O-CD1 3.35Å; L256-L260 PolarHBondContact O-N 3.39Å |
| 257 | K | 62.7 | Low | 53.4 | Low | 174 Ų | 174 | 126 Ų | 126 | 76% | 0.757 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -74.5 | -27.2 | -179.9 | -155.4 | 173.7 | -177 | -178.7 | 0 | 113.2 | M253 S254 T255 | M253-K257 PolarHBondContact O-N 3.5Å; S254-K257 PolarHBondContact O-N 3.34Å; T255-K257 VanDerWaalsContact C-N 3.28Å; T255-K257 PolarHBondContact O-N 3.37Å |
| 258 | N | 56.7 | Low | 54.1 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 65% | 0.647 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -81 | -27.9 | 176.4 | -72.6 | -28.9 | 0 | 0 | 0 | 112.7 | S254 T255 | S254-N258 PolarHBondContact O-N 3.12Å; S254-N258 PolarHBondContact O-ND2 2.8Å; T255-N258 PolarHBondContact O-N 2.79Å |
| 259 | D | 61.9 | Low | 54.8 | Low | 147 Ų | 147 | 123.3 Ų | 123.3 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -85.8 | -19.3 | -176.5 | -144.4 | 37.7 | 0 | 0 | 0 | 112.9 | T255 Q261 | T255-D259 PolarHBondContact O-N 3.07Å; D259-Q261 VanDerWaalsContact C-N 3.26Å; D259-Q261 PolarHBondContact O-N 3.36Å |
| 260 | L | 54.5 | Low | 55.5 | Low | 121 Ų | 121 | 128.2 Ų | 128.2 | 63% | 0.634 | 72% | 0.724 | S | S | * | * | trans | -87.3 | 37 | 176.9 | -99.6 | 111.2 | 0 | 0 | 0 | 113.7 | L256 L262 | L256-L260 WeakPolarHBondContact O-CD1 3.35Å; L256-L260 PolarHBondContact O-N 3.39Å; L260-L262 PolarHBondContact O-N 3.34Å | ||
| 261 | Q | 55.8 | Low | 56 | Low | 164 Ų | 164 | 132.6 Ų | 132.6 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | trans | -71.8 | 84.6 | 167.5 | -69.3 | -169.4 | -6.8 | 0 | 0 | 109.3 | D259 S263 | D259-Q261 VanDerWaalsContact C-N 3.26Å; D259-Q261 PolarHBondContact O-N 3.36Å; Q261-S263 PolarHBondContact O-N 3.07Å | ||
| 262 | L | 42.1 | Very low | 55.8 | Low | 146 Ų | 146 | 136.4 Ų | 136.4 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58 | 118.5 | 165.5 | -64 | 172.5 | 0 | 0 | 0 | 107.5 | L260 E264 | L260-L262 PolarHBondContact O-N 3.34Å; L262-E264 PolarHBondContact O-N 3.44Å |
| 263 | S | 40.9 | Very low | 55.6 | Low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 121.8 | 173 | -48.8 | 0 | 0 | 0 | 0 | 109.1 | Q261 S265 | Q261-S263 PolarHBondContact O-N 3.07Å; S263-S265 PolarHBondContact O-N 3.17Å |
| 264 | E | 48.9 | Very low | 55.5 | Low | 196 Ų | 196 | 135.5 Ų | 135.5 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 118.7 | 174.1 | -53.4 | -179 | 119.3 | 0 | 0 | 107.9 | L262 G266 | L262-E264 PolarHBondContact O-N 3.44Å; E264-G266 PolarHBondContact O-N 3.49Å |
| 265 | S | 47.5 | Very low | 55.3 | Low | 114 Ų | 114 | 140.1 Ų | 140.1 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -72.5 | 115.2 | -179.6 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | S263 S267 | S263-S265 PolarHBondContact O-N 3.17Å; S265-S267 PolarHBondContact O-N 3.42Å | ||
| 266 | G | 46.4 | Very low | 55 | Low | 80 Ų | 80 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -82.4 | 94.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | E264 E268 | E264-G266 PolarHBondContact O-N 3.49Å; G266-E268 PolarHBondContact O-N 3.17Å | ||
| 267 | S | 48 | Very low | 54.6 | Low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -82.2 | 104.1 | 167.1 | -62.5 | 0 | 0 | 0 | 0 | 108.2 | S265 | S265-S267 PolarHBondContact O-N 3.42Š| ||
| 268 | E | 64.2 | Low | 54 | Low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -70.8 | 128.6 | 168.8 | 68.5 | -169.3 | 146.3 | 0 | 0 | 109.1 | G266 | G266-E268 PolarHBondContact O-N 3.17Š| ||
| 269 | S | 61.7 | Low | 53.8 | Low | 110 Ų | 110 | 144.6 Ų | 144.6 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -102.4 | 111.4 | 175.4 | -31.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 270 | D | 63.9 | Low | 53.2 | Low | 156 Ų | 156 | 144.4 Ų | 144.4 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -87 | 112.9 | 167.4 | -89.3 | -43.9 | 0 | 0 | 0 | 108.6 | ||||
| 271 | D | 63.6 | Low | 53.1 | Low | 155 Ų | 155 | 146.3 Ų | 146.3 | 83% | 0.829 | 85% | 0.845 | S | S | * | * | trans | -103.1 | 108.1 | 161.7 | -117.6 | -74.2 | 0 | 0 | 0 | 106.3 | ||||
| 272 | D | 54.1 | Low | 52.9 | Low | 241 Ų | 241 | 144.7 Ų | 144.7 | 100% | 1.289 | 85% | 0.852 | S | S | * | * | trans | 176.2 | 0 | 138.1 | -110.1 | -65 | 0 | 0 | 0 | 111.3 |
Retrieved 272 of 272 residues in 202.8 ms
(Link to these results)