| 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 | 41.9 | Very low | 78.5 | Confident | 233 Ų | 233 | 76.9 Ų | 76.9 | 100% | 1.148 | 38% | 0.377 | S | S | * | . | 0 | 132.7 | 0 | -70.5 | 155 | 174.7 | 0 | 0 | 106.9 | |||||
| 2 | E | 51.1 | Low | 79.9 | Confident | 168 Ų | 168 | 72.5 Ų | 72.5 | 79% | 0.785 | 36% | 0.355 | S | S | * | . | trans | -84.2 | 135.8 | 173 | -63 | -170.4 | 159 | 0 | 0 | 109 | Q4 | E2-Q4 PolarHBondContact O-N 2.77Š| ||
| 3 | N | 60.6 | Low | 81.2 | Confident | 140 Ų | 140 | 66.9 Ų | 66.9 | 75% | 0.749 | 33% | 0.327 | S | S | * | . | trans | -72.2 | 89.7 | -171.3 | -64.9 | -3.8 | 0 | 0 | 0 | 110.6 | C5 | N3-C5 WeakPolarHBondContact O-CB 3.32Å; N3-C5 PolarHBondContact O-N 2.74Å; N3-C5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | Q | 71.6 | Confident | 82.3 | Confident | 150 Ų | 150 | 62.1 Ų | 62.1 | 70% | 0.701 | 30% | 0.304 | S | S | * | . | trans | -52.5 | 115.3 | 176.1 | -71 | -175.4 | -8.5 | 0 | 0 | 109.8 | E2 | E2-Q4 PolarHBondContact O-N 2.77Š| ||
| 5 | C | 81.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | trans | -128.9 | 108.4 | -168.1 | 161.8 | 0 | 0 | 0 | 0 | 108.2 | N3 N126 P127 R132 L142 | N3-C5 WeakPolarHBondContact O-CB 3.32Å; N3-C5 PolarHBondContact O-N 2.74Å; N3-C5 VanDerWaalsContact O-N 3.07Å; C5-N126 WeakPolarHBondContact O-CA 3.46Å; C5-N126 PolarHBondContact O-N 2.85Å; C5-P127 VanDerWaalsContact O-CD 3.24Å; C5-P127 WeakPolarHBondContact O-CD 3.35Å; C5-R132 VanDerWaalsContact SG-CD 3.54Å; C5-R132 PolarHBondContact SG-NE 3.34Å; C5-R132 VanDerWaalsContact SG-NE 3.44Å; C5-R132 PolarHBondContact SG-NH1 2.95Å; C5-L142 WeakPolarHBondContact SG-CD1 3.19Å | ||
| 6 | T | 90.9 | Very high | 84.2 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 138.5 | 172.9 | -68.6 | 0 | 0 | 0 | 0 | 109.5 | T123 F124 N125 V143 | T6-T123 HydrophobicContact CG2-CG2 3.39Å; T6-F124 WeakPolarHBondContact CA-O 3.42Å; T6-N125 WeakPolarHBondContact CG2-OD1 3.39Å; T6-N125 PolarHBondContact OG1-OD1 2.83Å; T6-V143 HydrophobicContact CG2-CB 4.42Å; T6-V143 PolarHBondContact N-O 2.67Å; T6-V143 VanDerWaalsContact N-O 3.15Å; T6-V143 PolarHBondContact O-N 2.82Å; T6-V143 VanDerWaalsContact O-O 3.1Å |
| 7 | V | 92.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 109 | F124 P127 R132 L135 I136 I141 L142 | V7-F124 PolarHBondContact N-O 2.87Å; V7-F124 PolarHBondContact O-N 2.89Å; V7-P127 HydrophobicContact CB-CG 4.37Å; V7-P127 HydrophobicContact CG2-CG 3.92Å; V7-R132 HydrophobicContact CG2-CG 4.17Å; V7-L135 HydrophobicContact CB-CD1 4.04Å; V7-L135 HydrophobicContact CG1-CB 3.7Å; V7-L135 HydrophobicContact CG1-CD1 4.02Å; V7-L135 HydrophobicContact CG1-CG 4.48Å; V7-I136 HydrophobicContact CG1-CD1 3.78Å; V7-I136 HydrophobicContact CG2-CD1 4.31Å; V7-I141 WeakPolarHBondContact CA-O 3.44Å; V7-L142 HydrophobicContact CG2-CD1 4.23Å |
| 8 | Q | 92.5 | Very high | 85.5 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 137.1 | 176.7 | -62.8 | -174.9 | 5 | 0 | 0 | 110 | L122 T123 G140 I141 V143 | Q8-L122 CarbonylContact C-O 3.47Å; Q8-L122 WeakPolarHBondContact CA-O 3.34Å; Q8-T123 HydrophobicContact CG-CG2 4.12Å; Q8-G140 CarbonylContact O-C 3.55Å; Q8-G140 VanDerWaalsContact O-CA 3.25Å; Q8-G140 WeakPolarHBondContact O-CA 3.17Å; Q8-I141 PolarHBondContact N-O 3.4Å; Q8-I141 PolarHBondContact O-N 2.71Å; Q8-V143 HydrophobicContact CG-CG2 4.05Å |
| 9 | V | 93.4 | Very high | 86 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.2 | 171.3 | -65.6 | 0 | 0 | 0 | 0 | 109.2 | F47 L122 F124 L135 | V9-F47 HydrophobicContact CB-CE1 4.47Å; V9-F47 HydrophobicContact CB-CZ 4.22Å; V9-F47 HydrophobicContact CG1-CE1 4.36Å; V9-F47 HydrophobicContact CG1-CZ 4.5Å; V9-F47 HydrophobicContact CG2-CE1 4.43Å; V9-F47 HydrophobicContact CG2-CE2 4.09Å; V9-F47 HydrophobicContact CG2-CZ 3.77Å; V9-L122 HydrophobicContact CG2-CB 3.85Å; V9-L122 HydrophobicContact CG2-CD1 4.43Å; V9-L122 PolarHBondContact N-O 3.12Å; V9-L122 PolarHBondContact O-N 3.05Å; V9-F124 HydrophobicContact CG2-CD2 4.41Å; V9-F124 HydrophobicContact CG2-CE2 3.83Å; V9-L135 HydrophobicContact CG1-CB 4.16Å; V9-L135 HydrophobicContact CG1-CD2 3.79Å; V9-L135 HydrophobicContact CG2-CD2 4.19Å |
| 10 | K | 92.7 | Very high | 86.3 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 137.7 | 168.4 | -67.7 | -171.7 | 175.6 | -168.5 | 0 | 109.2 | P39 E120 E550 | K10-P39 HydrophobicContact CB-CG 4.49Å; K10-P39 WeakPolarHBondContact O-CD 3.42Å; K10-E120 CarbonylContact C-O 3.51Å; K10-E120 WeakPolarHBondContact CA-O 3.39Å; K10-E550 PolarHBondContact NZ-O 2.87Å; K10-E550 IonicContact NZ-OE1 2.67Å; K10-E550 PolarHBondContact NZ-OE1 3.42Å |
| 11 | L | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 151.9 | 163.3 | -72.3 | -176.8 | 0 | 0 | 0 | 108.9 | L13 I44 F47 V87 F100 E120 L122 | L11-L13 HydrophobicContact CB-CD1 4.43Å; L11-I44 HydrophobicContact CD2-CB 4.3Å; L11-I44 HydrophobicContact CD2-CD1 4.28Å; L11-I44 HydrophobicContact CD2-CG2 3.6Å; L11-F47 HydrophobicContact CD2-CE2 4.44Å; L11-F47 HydrophobicContact CD2-CZ 3.82Å; L11-V87 HydrophobicContact CD1-CG1 4.3Å; L11-V87 HydrophobicContact CD1-CG2 4.42Å; L11-F100 HydrophobicContact CD1-CE2 4.09Å; L11-F100 HydrophobicContact CD1-CZ 4.25Å; L11-E120 PolarHBondContact N-O 2.85Å; L11-E120 PolarHBondContact O-N 2.85Å; L11-L122 HydrophobicContact CD1-CD1 3.59Å; L11-L122 HydrophobicContact CD1-CG 4.47Å; L11-L122 HydrophobicContact CG-CD1 4.1Å |
| 12 | E | 95.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.8 | 170.8 | -68.2 | -178.7 | -165.1 | 0 | 0 | 109.4 | V36 R37 P39 L117 R118 | E12-V36 CarbonylContact O-C 3.49Å; E12-V36 WeakPolarHBondContact O-CA 3.12Å; E12-R37 HydrophobicContact CB-CG 3.87Å; E12-R37 PolarHBondContact N-O 2.76Å; E12-R37 PolarHBondContact O-N 2.71Å; E12-R37 IonicContact OE2-CZ 2.79Å; E12-R37 IonicContact OE2-NE 3.83Å; E12-R37 PolarHBondContact OE2-NE 2.66Å; E12-R37 IonicContact OE2-NH2 3.94Å; E12-R37 PolarHBondContact OE2-NH2 2.89Å; E12-P39 WeakPolarHBondContact OE1-CA 3.33Å; E12-L117 HydrophobicContact CB-CD1 4.01Å; E12-L117 HydrophobicContact CG-CD1 4.48Å; E12-R118 WeakPolarHBondContact CA-O 3.38Å |
| 13 | L | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.3 | 172.3 | -60.8 | 95.6 | 0 | 0 | 0 | 107.7 | L11 F35 V36 I85 F100 Y102 R118 E120 | L11-L13 HydrophobicContact CB-CD1 4.43Å; L13-F35 WeakPolarHBondContact CA-O 3.22Å; L13-V36 HydrophobicContact CD2-CG2 3.9Å; L13-V36 HydrophobicContact CG-CG1 4.44Å; L13-V36 HydrophobicContact CG-CG2 4.03Å; L13-I85 HydrophobicContact CD2-CB 4.28Å; L13-I85 HydrophobicContact CD2-CD1 4Å; L13-I85 HydrophobicContact CD2-CG2 4.11Å; L13-F100 HydrophobicContact CD1-CD2 4.11Å; L13-F100 HydrophobicContact CD1-CE2 4.08Å; L13-F100 HydrophobicContact CD1-CG 4.3Å; L13-F100 HydrophobicContact CD1-CZ 4.28Å; L13-F100 HydrophobicContact CD2-CB 3.91Å; L13-F100 HydrophobicContact CD2-CD2 3.55Å; L13-F100 HydrophobicContact CD2-CE2 4.2Å; L13-F100 HydrophobicContact CD2-CG 3.86Å; L13-F100 HydrophobicContact CG-CD2 4.47Å; L13-Y102 HydrophobicContact CB-CD2 3.84Å; L13-Y102 HydrophobicContact CB-CE2 3.83Å; L13-Y102 WeakPolarHBondContact O-CE2 3.45Å; L13-R118 PolarHBondContact N-O 3.09Å; L13-R118 WeakPolarHBondContact O-CA 3.19Å; L13-R118 WeakPolarHBondContact O-CB 3.31Å; L13-R118 PolarHBondContact O-N 3.08Å; L13-E120 HydrophobicContact CD1-CB 4.01Å; L13-E120 HydrophobicContact CD1-CG 3.7Å |
| 14 | G | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 162.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V34 F35 Y102 H116 | G14-V34 CarbonylContact O-C 3.27Å; G14-V34 WeakPolarHBondContact O-CA 3.41Å; G14-V34 WeakPolarHBondContact O-CG2 3.3Å; G14-F35 PolarHBondContact N-O 2.92Å; G14-F35 WeakPolarHBondContact O-CD1 3.38Å; G14-F35 PolarHBondContact O-N 3.25Å; G14-Y102 VanDerWaalsContact C-OH 3.24Å; G14-Y102 WeakPolarHBondContact CA-OH 3.33Å; G14-H116 CarbonylContact C-O 3.55Å; G14-H116 WeakPolarHBondContact CA-O 3.17Å |
| 15 | H | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 157.6 | 168.4 | 84.3 | -79.4 | 0 | 0 | 0 | 112.3 | M33 V34 Y102 F105 V114 H116 | H15-M33 CarbonylContact C-O 3.59Å; H15-M33 WeakPolarHBondContact CA-O 3.2Å; H15-M33 WeakPolarHBondContact CB-O 3.41Å; H15-V34 HydrophobicContact CB-CB 4.14Å; H15-V34 HydrophobicContact CB-CG2 4.21Å; H15-Y102 HydrophobicContact CB-CE1 4.07Å; H15-Y102 AromaticContact CG-CE1 4Å; H15-Y102 PolarHBondContact N-OH 3.1Å; H15-Y102 VanDerWaalsContact N-OH 3.09Å; H15-Y102 AromaticContact ND1-CE1 3.44Å; H15-Y102 WeakPolarHBondContact ND1-CE1 3.19Å; H15-Y102 AromaticContact ND1-CZ 3.61Å; H15-Y102 PolarHBondContact ND1-OH 3.3Å; H15-F105 AromaticContact CE1-CD1 3.83Å; H15-F105 AromaticContact CE1-CE1 3.75Å; H15-F105 PolarHBondContact NE2-O 2.69Å; H15-F105 VanDerWaalsContact NE2-O 3.1Å; H15-V114 WeakPolarHBondContact NE2-CG1 3.23Å; H15-H116 PolarHBondContact N-O 2.98Å; H15-H116 PolarHBondContact O-N 2.96Å |
| 16 | R | 97 | Very high | 94 | Very high | 131 Ų | 131 | 64.1 Ų | 64.1 | 49% | 0.494 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.9 | 170 | -68.8 | 178 | 175 | 177.4 | -2.8 | 108.9 | W32 M33 V114 N115 | R16-W32 CarbonylContact O-C 3.34Å; R16-W32 WeakPolarHBondContact O-CA 3.13Å; R16-W32 WeakPolarHBondContact O-CB 3.24Å; R16-M33 PolarHBondContact N-O 2.99Å; R16-M33 PolarHBondContact O-N 3.31Å; R16-V114 WeakPolarHBondContact CA-O 3.08Å; R16-N115 HydrophobicContact CG-CB 4.32Å; R16-N115 WeakPolarHBondContact CG-OD1 3.35Å; R16-N115 PolarHBondContact NE-OD1 3.49Å; R16-N115 PolarHBondContact NH2-OD1 3.02Å |
| 17 | A | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D31 W32 L106 P113 V114 | A17-D31 WeakPolarHBondContact CA-O 3.44Å; A17-W32 HydrophobicContact CB-CB 3.96Å; A17-L106 HydrophobicContact CB-CD2 3.6Å; A17-P113 CarbonylContact O-C 3.58Å; A17-P113 WeakPolarHBondContact O-CA 3.47Å; A17-V114 HydrophobicContact CB-CB 3.94Å; A17-V114 HydrophobicContact CB-CG2 3.99Å; A17-V114 PolarHBondContact N-O 3.05Å; A17-V114 VanDerWaalsContact N-O 3.1Å; A17-V114 PolarHBondContact O-N 3.11Å |
| 18 | Q | 95 | Very high | 94.2 | Very high | 118 Ų | 118 | 66.5 Ų | 66.5 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.3 | -178.5 | -72 | 178.1 | 14 | 0 | 0 | 109.6 | K20 H30 D31 P113 | Q18-K20 PolarHBondContact O-N 3.27Å; Q18-H30 VanDerWaalsContact O-CA 3.32Å; Q18-H30 WeakPolarHBondContact O-CA 3.34Å; Q18-D31 PolarHBondContact N-O 3.01Å; Q18-D31 PolarHBondContact O-N 3.3Å; Q18-P113 HydrophobicContact CG-CB 3.92Å; Q18-P113 HydrophobicContact CG-CG 4.22Å |
| 19 | L | 94.6 | Very high | 94.3 | Very high | 73 Ų | 73 | 66 Ų | 66 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 130.3 | 170.4 | -173.8 | 74.9 | 0 | 0 | 0 | 109.4 | T29 H30 E109 | L19-T29 WeakPolarHBondContact CD1-O 3.48Å; L19-H30 VanDerWaalsContact CD1-CE1 3.45Å; L19-H30 WeakPolarHBondContact CD1-CE1 3.01Å; L19-E109 HydrophobicContact CD2-CB 3.67Å; L19-E109 HydrophobicContact CD2-CG 3.61Å |
| 20 | K | 92.9 | Very high | 94.5 | Very high | 52 Ų | 52 | 66.3 Ų | 66.3 | 23% | 0.226 | 33% | 0.334 | C | S | . | . | trans | -79.3 | 133.9 | -179.8 | -58.9 | 173.9 | 74 | 83 | 0 | 109.8 | Q18 K22 T24 T29 D31 | Q18-K20 PolarHBondContact O-N 3.27Å; K20-K22 VanDerWaalsContact CB-O 3.29Å; K20-K22 WeakPolarHBondContact CB-O 3.46Å; K20-K22 PolarHBondContact O-N 3.32Å; K20-T24 HydrophobicContact CD-CG2 4.24Å; K20-T29 WeakPolarHBondContact CB-O 3.26Å; K20-T29 WeakPolarHBondContact CG-O 3.42Å; K20-T29 PolarHBondContact N-O 2.76Å; K20-D31 WeakPolarHBondContact CD-OD1 3.37Å; K20-D31 HydrophobicContact CG-CB 4.47Å; K20-D31 WeakPolarHBondContact CG-OD2 3.31Å; K20-D31 IonicContact NZ-OD1 2.65Å; K20-D31 PolarHBondContact NZ-OD1 3.29Å; K20-D31 IonicContact NZ-OD2 2.68Å; K20-D31 PolarHBondContact NZ-OD2 3.35Å | ||
| 21 | K | 91.4 | Very high | 94.7 | Very high | 218 Ų | 218 | 66.2 Ų | 66.2 | 95% | 0.948 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -57.9 | -16.5 | 173.2 | -61.9 | -174.3 | 179.6 | -175.7 | 0 | 114.3 | ||
| 22 | K | 92 | Very high | 94.8 | Very high | 179 Ų | 179 | 66.6 Ų | 66.6 | 78% | 0.778 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -146.1 | 133.4 | 172.1 | -64 | -173.1 | -179.8 | -178 | 0 | 108.7 | K20 | K20-K22 VanDerWaalsContact CB-O 3.29Å; K20-K22 WeakPolarHBondContact CB-O 3.46Å; K20-K22 PolarHBondContact O-N 3.32Å |
| 23 | V | 93.8 | Very high | 95 | Very high | 86 Ų | 86 | 67.1 Ų | 67.1 | 52% | 0.521 | 34% | 0.341 | S | S | . | . | trans | -62.2 | 144.4 | 171.6 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | G27 F28 T29 | V23-G27 VanDerWaalsContact CG1-C 3.41Å; V23-F28 WeakPolarHBondContact CA-O 3.43Å; V23-F28 WeakPolarHBondContact CG1-O 3.29Å; V23-T29 HydrophobicContact CG1-CG2 4.39Å; V23-T29 HydrophobicContact CG2-CG2 4.24Å | ||
| 24 | T | 92.8 | Very high | 95 | Very high | 40 Ų | 40 | 67.1 Ų | 67.1 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | trans | -69.9 | 165.6 | 174.8 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | K20 E26 G27 F28 | K20-T24 HydrophobicContact CD-CG2 4.24Å; T24-E26 PolarHBondContact O-N 3Å; T24-E26 VanDerWaalsContact O-N 3.09Å; T24-E26 PolarHBondContact OG1-N 2.65Å; T24-G27 PolarHBondContact O-N 2.86Å; T24-G27 PolarHBondContact OG1-N 2.95Å; T24-F28 HydrophobicContact CG2-CB 3.93Å; T24-F28 HydrophobicContact CG2-CD2 4.19Å; T24-F28 PolarHBondContact N-O 2.8Å; T24-F28 WeakPolarHBondContact OG1-CB 3.46Å; T24-F28 WeakPolarHBondContact OG1-CD2 3.3Å; T24-F28 PolarHBondContact OG1-N 3.44Å | ||
| 25 | S | 92.6 | Very high | 95.1 | Very high | 132 Ų | 132 | 68.2 Ų | 68.2 | 92% | 0.923 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -16.4 | 168.7 | 47.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 26 | E | 91.4 | Very high | 95 | Very high | 144 Ų | 144 | 68.4 Ų | 68.4 | 67% | 0.673 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 1.6 | 179.2 | -59.9 | -179 | 166.5 | 0 | 0 | 112.4 | T24 F28 | T24-E26 PolarHBondContact O-N 3Å; T24-E26 VanDerWaalsContact O-N 3.09Å; T24-E26 PolarHBondContact OG1-N 2.65Å; E26-F28 HydrophobicContact CB-CD2 4.25Å; E26-F28 HydrophobicContact CB-CE2 3.96Å; E26-F28 HydrophobicContact CB-CZ 4.16Å; E26-F28 WeakPolarHBondContact OE2-CE2 3.4Å |
| 27 | G | 92.9 | Very high | 94.9 | Very high | 36 Ų | 36 | 67.9 Ų | 67.9 | 37% | 0.371 | 34% | 0.344 | S | S | . | . | trans | 89.3 | 6.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V23 T24 T29 | V23-G27 VanDerWaalsContact CG1-C 3.41Å; T24-G27 PolarHBondContact O-N 2.86Å; T24-G27 PolarHBondContact OG1-N 2.95Å; G27-T29 PolarHBondContact O-N 2.79Å | ||
| 28 | F | 95.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 68.1 Ų | 68.1 | 17% | 0.167 | 35% | 0.347 | C | S | . | . | trans | -73.2 | 124.1 | 179.3 | -53.6 | -40.1 | 0 | 0 | 0 | 111.6 | V23 T24 E26 S76 G77 Y78 | V23-F28 WeakPolarHBondContact CA-O 3.43Å; V23-F28 WeakPolarHBondContact CG1-O 3.29Å; T24-F28 HydrophobicContact CG2-CB 3.93Å; T24-F28 HydrophobicContact CG2-CD2 4.19Å; T24-F28 PolarHBondContact N-O 2.8Å; T24-F28 WeakPolarHBondContact OG1-CB 3.46Å; T24-F28 WeakPolarHBondContact OG1-CD2 3.3Å; T24-F28 PolarHBondContact OG1-N 3.44Å; E26-F28 HydrophobicContact CB-CD2 4.25Å; E26-F28 HydrophobicContact CB-CE2 3.96Å; E26-F28 HydrophobicContact CB-CZ 4.16Å; E26-F28 WeakPolarHBondContact OE2-CE2 3.4Å; F28-S76 VanDerWaalsContact CD2-CB 3.42Å; F28-G77 CarbonylContact C-O 3.58Å; F28-G77 WeakPolarHBondContact CA-O 3.46Å; F28-Y78 HydrophobicContact CD1-CD1 4.01Å; F28-Y78 HydrophobicContact CE1-CD1 4.16Å | ||
| 29 | T | 95.7 | Very high | 94.2 | Very high | 41 Ų | 41 | 64.5 Ų | 64.5 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | trans | -92.6 | -23.7 | 179.9 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | L19 K20 V23 G27 G77 | L19-T29 WeakPolarHBondContact CD1-O 3.48Å; K20-T29 WeakPolarHBondContact CB-O 3.26Å; K20-T29 WeakPolarHBondContact CG-O 3.42Å; K20-T29 PolarHBondContact N-O 2.76Å; V23-T29 HydrophobicContact CG1-CG2 4.39Å; V23-T29 HydrophobicContact CG2-CG2 4.24Å; G27-T29 PolarHBondContact O-N 2.79Å; T29-G77 PolarHBondContact N-O 2.88Å | ||
| 30 | H | 96.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 70.4 Ų | 70.4 | 6% | 0.06 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.9 | -174.4 | -73.4 | 79.6 | 0 | 0 | 0 | 112.7 | Q18 L19 S76 G77 L106 N107 | Q18-H30 VanDerWaalsContact O-CA 3.32Å; Q18-H30 WeakPolarHBondContact O-CA 3.34Å; L19-H30 VanDerWaalsContact CD1-CE1 3.45Å; L19-H30 WeakPolarHBondContact CD1-CE1 3.01Å; H30-S76 CarbonylContact O-C 3.51Å; H30-S76 WeakPolarHBondContact O-CA 3.25Å; H30-S76 WeakPolarHBondContact O-CB 3.49Å; H30-G77 PolarHBondContact N-O 2.85Å; H30-G77 PolarHBondContact O-N 2.9Å; H30-L106 HydrophobicContact CB-CD1 4.02Å; H30-L106 HydrophobicContact CB-CD2 4.08Å; H30-N107 PolarHBondContact CE1-O 3.37Å; H30-N107 PolarHBondContact NE2-O 3.41Å |
| 31 | D | 96.9 | Very high | 91.9 | Very high | 64 Ų | 64 | 74.4 Ų | 74.4 | 34% | 0.342 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 135.9 | 156.7 | -67.8 | -36 | 0 | 0 | 0 | 108.6 | A17 Q18 K20 S76 | A17-D31 WeakPolarHBondContact CA-O 3.44Å; Q18-D31 PolarHBondContact N-O 3.01Å; Q18-D31 PolarHBondContact O-N 3.3Å; K20-D31 WeakPolarHBondContact CD-OD1 3.37Å; K20-D31 HydrophobicContact CG-CB 4.47Å; K20-D31 WeakPolarHBondContact CG-OD2 3.31Å; K20-D31 IonicContact NZ-OD1 2.65Å; K20-D31 PolarHBondContact NZ-OD1 3.29Å; K20-D31 IonicContact NZ-OD2 2.68Å; K20-D31 PolarHBondContact NZ-OD2 3.35Å; D31-S76 PolarHBondContact OD1-OG 2.95Å |
| 32 | W | 97.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 64.4 Ų | 64.4 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 156.6 | -179 | 58.7 | -100.4 | 0 | 0 | 0 | 112.8 | R16 A17 V34 L55 F59 V73 E74 E75 F81 L104 L106 | R16-W32 CarbonylContact O-C 3.34Å; R16-W32 WeakPolarHBondContact O-CA 3.13Å; R16-W32 WeakPolarHBondContact O-CB 3.24Å; A17-W32 HydrophobicContact CB-CB 3.96Å; W32-V34 HydrophobicContact CZ3-CG1 4.04Å; W32-L55 HydrophobicContact CH2-CD2 3.65Å; W32-L55 HydrophobicContact CZ3-CD2 4.47Å; W32-F59 AromaticContact CZ2-CE1 3.88Å; W32-F59 HydrophobicContact CZ2-CE1 3.88Å; W32-F59 HydrophobicContact CZ2-CE2 4.45Å; W32-F59 AromaticContact CZ2-CZ 3.72Å; W32-F59 HydrophobicContact CZ2-CZ 3.72Å; W32-V73 HydrophobicContact CH2-CG1 4.43Å; W32-V73 HydrophobicContact CZ3-CG1 4.3Å; W32-E74 WeakPolarHBondContact O-CA 3.49Å; W32-E75 HydrophobicContact CD2-CB 4.14Å; W32-E75 HydrophobicContact CE3-CB 4.28Å; W32-E75 HydrophobicContact CH2-CB 3.49Å; W32-E75 VanDerWaalsContact CH2-CB 3.49Å; W32-E75 HydrophobicContact CH2-CG 3.86Å; W32-E75 HydrophobicContact CZ2-CB 3.33Å; W32-E75 HydrophobicContact CZ2-CG 4.01Å; W32-E75 HydrophobicContact CZ3-CB 3.98Å; W32-E75 PolarHBondContact N-O 2.98Å; W32-E75 PolarHBondContact O-N 2.82Å; W32-F81 HydrophobicContact CZ2-CE1 4.35Å; W32-L104 HydrophobicContact CD2-CD1 3.77Å; W32-L104 HydrophobicContact CD2-CD2 4.35Å; W32-L104 HydrophobicContact CE3-CD1 3.53Å; W32-L104 HydrophobicContact CG-CD1 4.4Å; W32-L104 HydrophobicContact CG-CD2 4.29Å; W32-L104 HydrophobicContact CH2-CD1 4.22Å; W32-L104 HydrophobicContact CZ2-CD1 4.4Å; W32-L104 HydrophobicContact CZ3-CD1 3.78Å; W32-L106 HydrophobicContact CB-CD2 4.48Å |
| 33 | M | 97.6 | Very high | 91 | Very high | 35 Ų | 35 | 59.1 Ų | 59.1 | 17% | 0.172 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 119.2 | -179.5 | -174.5 | -83.7 | -61.3 | 0 | 0 | 109.2 | H15 R16 F35 K72 V73 E74 | H15-M33 CarbonylContact C-O 3.59Å; H15-M33 WeakPolarHBondContact CA-O 3.2Å; H15-M33 WeakPolarHBondContact CB-O 3.41Å; R16-M33 PolarHBondContact N-O 2.99Å; R16-M33 PolarHBondContact O-N 3.31Å; M33-F35 HydrophobicContact CE-CD1 3.6Å; M33-F35 HydrophobicContact CE-CE1 4.05Å; M33-F35 HydrophobicContact SD-CB 3.96Å; M33-F35 HydrophobicContact SD-CD1 3.63Å; M33-F35 HydrophobicContact SD-CG 4.25Å; M33-K72 HydrophobicContact CG-CD 4.19Å; M33-K72 HydrophobicContact SD-CB 3.98Å; M33-K72 HydrophobicContact SD-CD 4.1Å; M33-V73 CarbonylContact C-O 3.58Å; M33-V73 WeakPolarHBondContact CA-O 3.38Å; M33-E74 HydrophobicContact CB-CG 3.79Å; M33-E74 HydrophobicContact CG-CG 3.3Å; M33-E74 WeakPolarHBondContact CG-OE1 3.46Å |
| 34 | V | 98.1 | Very high | 91 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 145 | 172.5 | 67.1 | 0 | 0 | 0 | 0 | 109.9 | G14 H15 W32 F53 K72 V73 M83 I85 Y102 L104 | G14-V34 CarbonylContact O-C 3.27Å; G14-V34 WeakPolarHBondContact O-CA 3.41Å; G14-V34 WeakPolarHBondContact O-CG2 3.3Å; H15-V34 HydrophobicContact CB-CB 4.14Å; H15-V34 HydrophobicContact CB-CG2 4.21Å; W32-V34 HydrophobicContact CZ3-CG1 4.04Å; V34-F53 HydrophobicContact CG1-CD1 3.71Å; V34-F53 HydrophobicContact CG1-CE1 3.81Å; V34-F53 HydrophobicContact CG1-CG 4.49Å; V34-F53 HydrophobicContact CG2-CD1 4.36Å; V34-F53 HydrophobicContact CG2-CE1 4.06Å; V34-K72 CarbonylContact O-C 3.6Å; V34-K72 WeakPolarHBondContact O-CA 3.33Å; V34-K72 VanDerWaalsContact O-CB 3.26Å; V34-K72 WeakPolarHBondContact O-CB 3.36Å; V34-V73 HydrophobicContact CG1-CB 3.95Å; V34-V73 PolarHBondContact N-O 3.46Å; V34-V73 PolarHBondContact O-N 2.99Å; V34-M83 HydrophobicContact CB-CE 3.9Å; V34-M83 HydrophobicContact CG1-CE 3.82Å; V34-M83 HydrophobicContact CG1-SD 4.18Å; V34-M83 HydrophobicContact CG2-CE 3.69Å; V34-I85 HydrophobicContact CG2-CD1 4.1Å; V34-Y102 HydrophobicContact CG2-CD1 4.4Å; V34-Y102 HydrophobicContact CG2-CE1 4.27Å; V34-L104 HydrophobicContact CB-CD1 4.49Å |
| 35 | F | 97.3 | Very high | 91.1 | Very high | 23 Ų | 23 | 56.6 Ų | 56.6 | 10% | 0.101 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.9 | 179.9 | 61.9 | -88.4 | 0 | 0 | 0 | 113.2 | L13 G14 M33 R37 Y71 K72 L117 | L13-F35 WeakPolarHBondContact CA-O 3.22Å; G14-F35 PolarHBondContact N-O 2.92Å; G14-F35 WeakPolarHBondContact O-CD1 3.38Å; G14-F35 PolarHBondContact O-N 3.25Å; M33-F35 HydrophobicContact CE-CD1 3.6Å; M33-F35 HydrophobicContact CE-CE1 4.05Å; M33-F35 HydrophobicContact SD-CB 3.96Å; M33-F35 HydrophobicContact SD-CD1 3.63Å; M33-F35 HydrophobicContact SD-CG 4.25Å; F35-R37 HydrophobicContact CD2-CG 3.9Å; F35-R37 HydrophobicContact CE2-CG 3.96Å; F35-Y71 CarbonylContact C-O 3.57Å; F35-Y71 WeakPolarHBondContact CA-O 3.44Å; F35-K72 HydrophobicContact CB-CB 4Å; F35-L117 HydrophobicContact CE2-CD1 3.74Å; F35-L117 HydrophobicContact CZ-CD1 3.74Å |
| 36 | V | 96.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.7 | 162.3 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | E12 L13 I44 V51 F53 Y71 I85 V87 | E12-V36 CarbonylContact O-C 3.49Å; E12-V36 WeakPolarHBondContact O-CA 3.12Å; L13-V36 HydrophobicContact CD2-CG2 3.9Å; L13-V36 HydrophobicContact CG-CG1 4.44Å; L13-V36 HydrophobicContact CG-CG2 4.03Å; V36-I44 HydrophobicContact CG1-CD1 4.34Å; V36-V51 HydrophobicContact CB-CG1 4.37Å; V36-V51 HydrophobicContact CB-CG2 4.25Å; V36-V51 HydrophobicContact CG1-CG2 4.41Å; V36-V51 HydrophobicContact CG2-CG1 3.87Å; V36-F53 HydrophobicContact CG2-CE1 4.02Å; V36-F53 HydrophobicContact CG2-CZ 3.97Å; V36-Y71 PolarHBondContact N-O 3.28Å; V36-I85 HydrophobicContact CG2-CG2 3.77Å; V36-V87 HydrophobicContact CG1-CG2 4.23Å |
| 37 | R | 94.5 | Very high | 91.3 | Very high | 120 Ų | 120 | 46.7 Ų | 46.7 | 45% | 0.453 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 174.3 | 177.6 | 64.2 | 179.8 | -166.9 | 172.4 | 9.6 | 110.9 | E12 F35 | E12-R37 HydrophobicContact CB-CG 3.87Å; E12-R37 PolarHBondContact N-O 2.76Å; E12-R37 PolarHBondContact O-N 2.71Å; E12-R37 IonicContact OE2-CZ 2.79Å; E12-R37 IonicContact OE2-NE 3.83Å; E12-R37 PolarHBondContact OE2-NE 2.66Å; E12-R37 IonicContact OE2-NH2 3.94Å; E12-R37 PolarHBondContact OE2-NH2 2.89Å; F35-R37 HydrophobicContact CD2-CG 3.9Å; F35-R37 HydrophobicContact CE2-CG 3.96Å |
| 38 | G | 91.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 45 Ų | 45 | 8% | 0.082 | 23% | 0.229 | C | C | . | . | trans | -85.8 | 173.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I44 | G38-I44 VanDerWaalsContact CA-CG2 3.4Š| ||
| 39 | P | 85.6 | Confident | 91.5 | Very high | 42 Ų | 42 | 47 Ų | 47 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | trans | -55.7 | 160.3 | 160 | 29 | -36.2 | 0 | 0 | 0 | 110.5 | K10 E12 T41 G42 | K10-P39 HydrophobicContact CB-CG 4.49Å; K10-P39 WeakPolarHBondContact O-CD 3.42Å; E12-P39 WeakPolarHBondContact OE1-CA 3.33Å; P39-T41 PolarHBondContact O-N 2.96Å; P39-G42 PolarHBondContact O-N 3.24Å | ||
| 40 | E | 75.3 | Confident | 91.5 | Very high | 196 Ų | 196 | 47.8 Ų | 47.8 | 92% | 0.916 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -27.7 | -167.1 | -171.2 | 166 | -156.6 | 0 | 0 | 115.8 | ||
| 41 | T | 63.7 | Low | 91.6 | Very high | 137 Ų | 137 | 47.1 Ų | 47.1 | 84% | 0.84 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -5.1 | 179.8 | 55.2 | 0 | 0 | 0 | 0 | 115.1 | P39 | P39-T41 PolarHBondContact O-N 2.96Š|
| 42 | G | 75.1 | Confident | 91.7 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | trans | -112.6 | 103 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | P39 I44 A138 | P39-G42 PolarHBondContact O-N 3.24Å; G42-I44 PolarHBondContact O-N 3.44Å; G42-A138 WeakPolarHBondContact CA-O 3.37Å | ||
| 43 | D | 88.4 | Confident | 91.7 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | trans | -73.3 | 98.7 | 171.3 | 171.6 | 37.8 | 0 | 0 | 0 | 112.3 | Q45 H46 A138 | D43-Q45 PolarHBondContact O-N 3.07Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.34Å; D43-Q45 PolarHBondContact OD1-N 3.37Å; D43-H46 PolarHBondContact O-N 2.69Å; D43-H46 PolarHBondContact O-ND1 3.38Å; D43-H46 VanDerWaalsContact O-ND1 3.16Å; D43-H46 IonicContact OD2-CE1 2.71Å; D43-H46 PolarHBondContact OD2-CE1 2.88Å; D43-H46 IonicContact OD2-CG 3.92Å; D43-H46 IonicContact OD2-ND1 2.76Å; D43-H46 PolarHBondContact OD2-ND1 2.85Å; D43-A138 VanDerWaalsContact O-CB 3.25Å; D43-A138 WeakPolarHBondContact O-CB 3.34Å | ||
| 44 | I | 94.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -64.4 | -17.8 | 176.7 | 60 | 161.9 | 0 | 0 | 0 | 113.8 | L11 V36 G38 G42 H46 F47 V48 Y71 | L11-I44 HydrophobicContact CD2-CB 4.3Å; L11-I44 HydrophobicContact CD2-CD1 4.28Å; L11-I44 HydrophobicContact CD2-CG2 3.6Å; V36-I44 HydrophobicContact CG1-CD1 4.34Å; G38-I44 VanDerWaalsContact CA-CG2 3.4Å; G42-I44 PolarHBondContact O-N 3.44Å; I44-H46 PolarHBondContact O-N 2.85Å; I44-F47 HydrophobicContact CB-CE1 3.93Å; I44-F47 HydrophobicContact CB-CZ 4.22Å; I44-F47 HydrophobicContact CG2-CE1 3.78Å; I44-F47 HydrophobicContact CG2-CZ 3.99Å; I44-F47 PolarHBondContact O-N 2.83Å; I44-V48 HydrophobicContact CB-CG2 4.06Å; I44-V48 HydrophobicContact CD1-CG2 4.28Å; I44-V48 WeakPolarHBondContact O-CB 3.37Å; I44-V48 WeakPolarHBondContact O-CG2 3.37Å; I44-V48 PolarHBondContact O-N 3.07Å; I44-Y71 HydrophobicContact CD1-CD2 3.84Å; I44-Y71 HydrophobicContact CD1-CE2 3.9Å; I44-Y71 HydrophobicContact CG1-CD2 4.4Å; I44-Y71 HydrophobicContact CG1-CE2 4.05Å |
| 45 | Q | 94.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 47.5 Ų | 47.5 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -59.3 | -23.4 | 177.9 | -170.5 | -179.7 | 9.3 | 0 | 0 | 111.6 | D43 F47 P69 K90 | D43-Q45 PolarHBondContact O-N 3.07Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.34Å; D43-Q45 PolarHBondContact OD1-N 3.37Å; Q45-F47 PolarHBondContact O-N 2.82Å; Q45-P69 HydrophobicContact CB-CG 4.3Å; Q45-P69 HydrophobicContact CG-CG 4.44Å; Q45-K90 PolarHBondContact O-NZ 3.26Å |
| 46 | H | 93.6 | Very high | 91.6 | Very high | 67 Ų | 67 | 51.1 Ų | 51.1 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -56.7 | -43.4 | 172.4 | -76.8 | 83.6 | 0 | 0 | 0 | 113.5 | D43 I44 K134 K137 A138 | D43-H46 PolarHBondContact O-N 2.69Å; D43-H46 PolarHBondContact O-ND1 3.38Å; D43-H46 VanDerWaalsContact O-ND1 3.16Å; D43-H46 IonicContact OD2-CE1 2.71Å; D43-H46 PolarHBondContact OD2-CE1 2.88Å; D43-H46 IonicContact OD2-CG 3.92Å; D43-H46 IonicContact OD2-ND1 2.76Å; D43-H46 PolarHBondContact OD2-ND1 2.85Å; I44-H46 PolarHBondContact O-N 2.85Å; H46-K134 WeakPolarHBondContact O-CB 3.31Å; H46-K134 WeakPolarHBondContact O-CD 3.46Å; H46-K134 WeakPolarHBondContact O-CG 3.45Å; H46-K137 HydrophobicContact CB-CB 4.41Å; H46-A138 HydrophobicContact CB-CB 4.31Å |
| 47 | F | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -15 | -176 | 75.8 | -92.2 | 0 | 0 | 0 | 114.5 | V9 L11 I44 Q45 F89 K90 F131 K134 L135 A138 | V9-F47 HydrophobicContact CB-CE1 4.47Å; V9-F47 HydrophobicContact CB-CZ 4.22Å; V9-F47 HydrophobicContact CG1-CE1 4.36Å; V9-F47 HydrophobicContact CG1-CZ 4.5Å; V9-F47 HydrophobicContact CG2-CE1 4.43Å; V9-F47 HydrophobicContact CG2-CE2 4.09Å; V9-F47 HydrophobicContact CG2-CZ 3.77Å; L11-F47 HydrophobicContact CD2-CE2 4.44Å; L11-F47 HydrophobicContact CD2-CZ 3.82Å; I44-F47 HydrophobicContact CB-CE1 3.93Å; I44-F47 HydrophobicContact CB-CZ 4.22Å; I44-F47 HydrophobicContact CG2-CE1 3.78Å; I44-F47 HydrophobicContact CG2-CZ 3.99Å; I44-F47 PolarHBondContact O-N 2.83Å; Q45-F47 PolarHBondContact O-N 2.82Å; F47-F89 AromaticContact CD2-CD1 3.92Å; F47-F89 HydrophobicContact CD2-CD1 3.92Å; F47-F89 HydrophobicContact CD2-CE1 4.31Å; F47-F89 HydrophobicContact CE2-CD1 4.15Å; F47-F89 HydrophobicContact CE2-CE1 4.08Å; F47-F89 CarbonylContact O-C 3.58Å; F47-F89 VanDerWaalsContact O-CA 3.3Å; F47-F89 WeakPolarHBondContact O-CA 3.21Å; F47-K90 PolarHBondContact O-N 2.88Å; F47-F131 HydrophobicContact CB-CE2 3.9Å; F47-K134 HydrophobicContact CB-CB 4.01Å; F47-L135 HydrophobicContact CB-CD2 3.96Å; F47-L135 HydrophobicContact CD1-CD2 4.2Å; F47-L135 HydrophobicContact CD2-CD2 3.78Å; F47-L135 HydrophobicContact CE2-CD2 4.28Å; F47-L135 HydrophobicContact CG-CD2 3.74Å; F47-A138 HydrophobicContact CD1-CB 3.47Å; F47-A138 VanDerWaalsContact CD1-CB 3.47Å; F47-A138 HydrophobicContact CE1-CB 3.61Å |
| 48 | V | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 131.7 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | I44 V51 Y71 V87 Y88 K90 | I44-V48 HydrophobicContact CB-CG2 4.06Å; I44-V48 HydrophobicContact CD1-CG2 4.28Å; I44-V48 WeakPolarHBondContact O-CB 3.37Å; I44-V48 WeakPolarHBondContact O-CG2 3.37Å; I44-V48 PolarHBondContact O-N 3.07Å; V48-V51 HydrophobicContact CG1-CG2 4.11Å; V48-Y71 HydrophobicContact CG1-CE1 4.17Å; V48-V87 HydrophobicContact CG1-CG1 4.05Å; V48-V87 HydrophobicContact CG2-CG1 3.79Å; V48-Y88 CarbonylContact C-O 3.59Å; V48-Y88 WeakPolarHBondContact CA-O 3.46Å; V48-K90 VanDerWaalsContact O-CD 3.26Å; V48-K90 WeakPolarHBondContact O-CD 3.5Å; V48-K90 WeakPolarHBondContact O-CE 3.49Å; V48-K90 PolarHBondContact O-NZ 3.16Å |
| 49 | E | 96 | Very high | 91.7 | Very high | 80 Ų | 80 | 55.5 Ų | 55.5 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -48 | 172.1 | -176.5 | -165.8 | 112.3 | 0 | 0 | 110.8 | Y88 K90 | E49-Y88 PolarHBondContact N-O 2.87Å; E49-K90 HydrophobicContact CB-CG 3.97Å |
| 50 | R | 97 | Very high | 92.2 | Very high | 58 Ų | 58 | 58.1 Ų | 58.1 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | 156.9 | -178.9 | 53.6 | -175.1 | 159.4 | 87.4 | 15.8 | 110.5 | V65 C66 K67 Y88 | R50-V65 HydrophobicContact CB-CG1 4.48Å; R50-C66 CarbonylContact C-O 3.53Å; R50-C66 WeakPolarHBondContact CA-O 2.79Å; R50-C66 VanDerWaalsContact CB-O 3.3Å; R50-C66 WeakPolarHBondContact CB-O 3.12Å; R50-K67 HydrophobicContact CB-CG 4.31Å; R50-Y88 HydrophobicContact CG-CD2 4.21Å; R50-Y88 HydrophobicContact CG-CG 4.15Å; R50-Y88 WeakPolarHBondContact O-CB 3.13Å; R50-Y88 PolarHBondContact O-N 3.38Å |
| 51 | V | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138 | 169.3 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | V36 V48 F53 C66 Y71 I85 E86 V87 | V36-V51 HydrophobicContact CB-CG1 4.37Å; V36-V51 HydrophobicContact CB-CG2 4.25Å; V36-V51 HydrophobicContact CG1-CG2 4.41Å; V36-V51 HydrophobicContact CG2-CG1 3.87Å; V48-V51 HydrophobicContact CG1-CG2 4.11Å; V51-F53 HydrophobicContact CB-CE2 4.05Å; V51-F53 HydrophobicContact CB-CZ 4.4Å; V51-F53 HydrophobicContact CG1-CD2 4.08Å; V51-F53 HydrophobicContact CG1-CE1 4.17Å; V51-F53 HydrophobicContact CG1-CE2 3.53Å; V51-F53 HydrophobicContact CG1-CZ 3.58Å; V51-C66 PolarHBondContact N-O 3.34Å; V51-C66 PolarHBondContact O-N 3.03Å; V51-Y71 HydrophobicContact CB-CD1 4.07Å; V51-Y71 HydrophobicContact CB-CG 4.38Å; V51-Y71 HydrophobicContact CG2-CD1 3.64Å; V51-Y71 HydrophobicContact CG2-CD2 4.46Å; V51-Y71 HydrophobicContact CG2-CE1 4.31Å; V51-Y71 HydrophobicContact CG2-CG 3.72Å; V51-I85 HydrophobicContact CG1-CG2 3.64Å; V51-E86 CarbonylContact C-O 3.59Å; V51-E86 WeakPolarHBondContact CA-O 3.44Å; V51-V87 HydrophobicContact CG1-CG2 4.34Å; V51-V87 HydrophobicContact CG2-CG1 4.44Å; V51-V87 HydrophobicContact CG2-CG2 4.26Å |
| 52 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 112.4 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | K63 R64 V65 I85 E86 Y88 | V52-K63 HydrophobicContact CG1-CD 4.46Å; V52-K63 HydrophobicContact CG1-CG 3.74Å; V52-R64 CarbonylContact C-O 3.52Å; V52-R64 VanDerWaalsContact CA-O 3.31Å; V52-R64 WeakPolarHBondContact CA-O 3.36Å; V52-V65 HydrophobicContact CG1-CG2 4.22Å; V52-V65 HydrophobicContact CG2-CG1 4.24Å; V52-V65 HydrophobicContact CG2-CG2 4.15Å; V52-I85 WeakPolarHBondContact O-CA 3.46Å; V52-E86 HydrophobicContact CB-CB 4.15Å; V52-E86 PolarHBondContact N-O 3.42Å; V52-E86 PolarHBondContact O-N 2.9Å; V52-Y88 HydrophobicContact CB-CE2 4.44Å; V52-Y88 HydrophobicContact CG2-CD2 3.99Å; V52-Y88 HydrophobicContact CG2-CE2 3.68Å |
| 53 | F | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.6 | 173.8 | -57.2 | -94.5 | 0 | 0 | 0 | 108.4 | V34 V36 V51 R64 Y71 V73 M83 I85 | V34-F53 HydrophobicContact CG1-CD1 3.71Å; V34-F53 HydrophobicContact CG1-CE1 3.81Å; V34-F53 HydrophobicContact CG1-CG 4.49Å; V34-F53 HydrophobicContact CG2-CD1 4.36Å; V34-F53 HydrophobicContact CG2-CE1 4.06Å; V36-F53 HydrophobicContact CG2-CE1 4.02Å; V36-F53 HydrophobicContact CG2-CZ 3.97Å; V51-F53 HydrophobicContact CB-CE2 4.05Å; V51-F53 HydrophobicContact CB-CZ 4.4Å; V51-F53 HydrophobicContact CG1-CD2 4.08Å; V51-F53 HydrophobicContact CG1-CE1 4.17Å; V51-F53 HydrophobicContact CG1-CE2 3.53Å; V51-F53 HydrophobicContact CG1-CZ 3.58Å; F53-R64 HydrophobicContact CB-CB 4.37Å; F53-R64 PolarHBondContact N-O 2.97Å; F53-R64 PolarHBondContact O-N 3.16Å; F53-Y71 WeakPolarHBondContact CZ-O 3.35Å; F53-V73 HydrophobicContact CB-CG2 4.09Å; F53-V73 HydrophobicContact CD2-CG2 3.53Å; F53-V73 HydrophobicContact CE2-CG2 4.07Å; F53-V73 HydrophobicContact CG-CG2 3.82Å; F53-M83 HydrophobicContact CB-SD 4.1Å; F53-M83 HydrophobicContact CD1-SD 4.14Å; F53-I85 HydrophobicContact CD1-CD1 3.89Å; F53-I85 HydrophobicContact CD1-CG1 3.87Å; F53-I85 HydrophobicContact CD1-CG2 4.17Å; F53-I85 HydrophobicContact CE1-CD1 3.92Å; F53-I85 HydrophobicContact CE1-CG1 4.29Å; F53-I85 HydrophobicContact CE1-CG2 4.09Å |
| 54 | R | 97.7 | Very high | 96.1 | Very high | 107 Ų | 107 | 56.9 Ų | 56.9 | 40% | 0.404 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 94 | 172.7 | -65.4 | -175.3 | 177.4 | -119 | 10.1 | 109.5 | M83 P84 E86 | R54-M83 WeakPolarHBondContact O-CG 3.4Å; R54-P84 HydrophobicContact CB-CB 4.3Å; R54-P84 HydrophobicContact CB-CG 4.41Å; R54-P84 WeakPolarHBondContact CB-O 3Å; R54-P84 PolarHBondContact N-O 3.15Å; R54-E86 IonicContact CZ-OE1 3.16Å; R54-E86 IonicContact NE-OE1 2.68Å; R54-E86 PolarHBondContact NE-OE1 2.9Å; R54-E86 IonicContact NH2-OE1 2.79Å; R54-E86 PolarHBondContact NH2-OE1 2.68Å |
| 55 | L | 97.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | trans | -63.6 | 161.3 | 170.7 | -51.5 | -176.3 | 0 | 0 | 0 | 110.3 | W32 F59 P62 R64 V73 E75 F81 M83 | W32-L55 HydrophobicContact CH2-CD2 3.65Å; W32-L55 HydrophobicContact CZ3-CD2 4.47Å; L55-F59 HydrophobicContact CB-CB 3.91Å; L55-F59 HydrophobicContact CB-CD2 3.97Å; L55-F59 HydrophobicContact CB-CG 4.04Å; L55-F59 HydrophobicContact CD1-CB 3.84Å; L55-F59 HydrophobicContact CD1-CD1 4.14Å; L55-F59 HydrophobicContact CD1-CG 3.94Å; L55-P62 HydrophobicContact CB-CB 4.09Å; L55-P62 WeakPolarHBondContact CB-O 3.45Å; L55-P62 WeakPolarHBondContact CG-O 3.46Å; L55-P62 PolarHBondContact N-O 3.26Å; L55-P62 WeakPolarHBondContact O-CB 3.13Å; L55-R64 HydrophobicContact CD1-CG 3.82Å; L55-R64 HydrophobicContact CG-CG 4.12Å; L55-V73 HydrophobicContact CD2-CG1 4.49Å; L55-E75 HydrophobicContact CD1-CG 4.3Å; L55-F81 HydrophobicContact CB-CZ 4.39Å; L55-F81 HydrophobicContact CD2-CZ 4.14Å; L55-M83 HydrophobicContact CD2-SD 3.78Å | ||
| 56 | H | 97 | Very high | 96.4 | Very high | 98 Ų | 98 | 57.9 Ų | 57.9 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | trans | -59.1 | 148.8 | 169.4 | -176.8 | -107.5 | 0 | 0 | 0 | 111.4 | S58 F59 F81 | H56-S58 WeakPolarHBondContact ND1-CB 3.48Å; H56-S58 PolarHBondContact ND1-N 3.19Å; H56-S58 PolarHBondContact ND1-OG 2.79Å; H56-S58 PolarHBondContact O-N 3.23Å; H56-F59 HydrophobicContact CB-CD2 4.18Å; H56-F59 HydrophobicContact CB-CE2 4.39Å; H56-F59 WeakPolarHBondContact O-CD2 3.37Å; H56-F59 PolarHBondContact O-N 3.16Å; H56-F81 HydrophobicContact CB-CD1 4.36Å; H56-F81 HydrophobicContact CB-CD2 3.87Å; H56-F81 HydrophobicContact CB-CE2 4.13Å; H56-F81 HydrophobicContact CB-CG 4.01Å; H56-F81 HydrophobicContact CB-CZ 4.5Å; H56-F81 VanDerWaalsContact N-CE2 3.28Å | ||
| 57 | D | 95.8 | Very high | 96.5 | Very high | 142 Ų | 142 | 61.6 Ų | 61.6 | 76% | 0.759 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.2 | -172.4 | -70.5 | -47.2 | 0 | 0 | 0 | 114.6 | F59 | D57-F59 VanDerWaalsContact C-N 3.25Å; D57-F59 PolarHBondContact O-N 3.24Å |
| 58 | S | 94.1 | Very high | 96.5 | Very high | 64 Ų | 64 | 68 Ų | 68 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20.6 | 168.6 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | H56 | H56-S58 WeakPolarHBondContact ND1-CB 3.48Å; H56-S58 PolarHBondContact ND1-N 3.19Å; H56-S58 PolarHBondContact ND1-OG 2.79Å; H56-S58 PolarHBondContact O-N 3.23Å |
| 59 | F | 95.5 | Very high | 96.3 | Very high | 17 Ų | 17 | 70.9 Ų | 70.9 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -83.8 | 136.7 | -177.7 | -74.9 | -89.4 | 0 | 0 | 0 | 111.9 | W32 L55 H56 D57 K61 P62 E75 S76 F81 | W32-F59 AromaticContact CZ2-CE1 3.88Å; W32-F59 HydrophobicContact CZ2-CE1 3.88Å; W32-F59 HydrophobicContact CZ2-CE2 4.45Å; W32-F59 AromaticContact CZ2-CZ 3.72Å; W32-F59 HydrophobicContact CZ2-CZ 3.72Å; L55-F59 HydrophobicContact CB-CB 3.91Å; L55-F59 HydrophobicContact CB-CD2 3.97Å; L55-F59 HydrophobicContact CB-CG 4.04Å; L55-F59 HydrophobicContact CD1-CB 3.84Å; L55-F59 HydrophobicContact CD1-CD1 4.14Å; L55-F59 HydrophobicContact CD1-CG 3.94Å; H56-F59 HydrophobicContact CB-CD2 4.18Å; H56-F59 HydrophobicContact CB-CE2 4.39Å; H56-F59 WeakPolarHBondContact O-CD2 3.37Å; H56-F59 PolarHBondContact O-N 3.16Å; D57-F59 VanDerWaalsContact C-N 3.25Å; D57-F59 PolarHBondContact O-N 3.24Å; F59-K61 PolarHBondContact O-N 3.46Å; F59-P62 VanDerWaalsContact O-CD 3.29Å; F59-P62 WeakPolarHBondContact O-CD 3.41Å; F59-E75 HydrophobicContact CD1-CG 4.25Å; F59-E75 HydrophobicContact CE1-CB 4.2Å; F59-E75 HydrophobicContact CE1-CG 4.22Å; F59-S76 WeakPolarHBondContact CE1-O 3.42Å; F59-F81 AromaticContact CE2-CE1 3.96Å; F59-F81 HydrophobicContact CE2-CE1 3.96Å; F59-F81 HydrophobicContact CE2-CZ 4.36Å |
| 60 | P | 94.6 | Very high | 96.2 | Very high | 97 Ų | 97 | 71.7 Ų | 71.7 | 63% | 0.63 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -62.6 | 126.2 | 175.3 | 26.2 | -33.5 | 0 | 0 | 0 | 110.2 | R64 | P60-R64 PolarHBondContact O-NH2 2.97Š|
| 61 | K | 94.7 | Very high | 96.3 | Very high | 179 Ų | 179 | 69.1 Ų | 69.1 | 78% | 0.778 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 53.2 | 69 | -173.6 | -56.4 | 168.9 | -175.9 | 168.7 | 0 | 110.7 | F59 K63 R64 | F59-K61 PolarHBondContact O-N 3.46Å; K61-K63 PolarHBondContact O-N 2.9Å; K61-K63 VanDerWaalsContact O-N 3.16Å; K61-R64 WeakPolarHBondContact O-CD 3.16Å; K61-R64 PolarHBondContact O-NE 2.82Å |
| 62 | P | 96.2 | Very high | 96.2 | Very high | 36 Ų | 36 | 72.6 Ų | 72.6 | 23% | 0.234 | 37% | 0.368 | C | S | . | . | trans | -66.3 | -23.9 | -167.6 | 25.5 | -33.3 | 0 | 0 | 0 | 113.4 | L55 F59 R64 | L55-P62 HydrophobicContact CB-CB 4.09Å; L55-P62 WeakPolarHBondContact CB-O 3.45Å; L55-P62 WeakPolarHBondContact CG-O 3.46Å; L55-P62 PolarHBondContact N-O 3.26Å; L55-P62 WeakPolarHBondContact O-CB 3.13Å; F59-P62 VanDerWaalsContact O-CD 3.29Å; F59-P62 WeakPolarHBondContact O-CD 3.41Å; P62-R64 PolarHBondContact O-N 2.86Å | ||
| 63 | K | 97.5 | Very high | 96.2 | Very high | 118 Ų | 118 | 73.1 Ų | 73.1 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 94.6 | 172.3 | -173.8 | -178 | -179.4 | 179.7 | 0 | 111.1 | V52 K61 V65 | V52-K63 HydrophobicContact CG1-CD 4.46Å; V52-K63 HydrophobicContact CG1-CG 3.74Å; K61-K63 PolarHBondContact O-N 2.9Å; K61-K63 VanDerWaalsContact O-N 3.16Å; K63-V65 HydrophobicContact CG-CG2 4.43Å |
| 64 | R | 97.5 | Very high | 96.1 | Very high | 50 Ų | 50 | 78.6 Ų | 78.6 | 19% | 0.189 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 143.6 | 173.3 | -52.7 | -61.8 | 172 | 81.5 | -3.9 | 110.1 | V52 F53 L55 P60 K61 P62 V73 E75 | V52-R64 CarbonylContact C-O 3.52Å; V52-R64 VanDerWaalsContact CA-O 3.31Å; V52-R64 WeakPolarHBondContact CA-O 3.36Å; F53-R64 HydrophobicContact CB-CB 4.37Å; F53-R64 PolarHBondContact N-O 2.97Å; F53-R64 PolarHBondContact O-N 3.16Å; L55-R64 HydrophobicContact CD1-CG 3.82Å; L55-R64 HydrophobicContact CG-CG 4.12Å; P60-R64 PolarHBondContact O-NH2 2.97Å; K61-R64 WeakPolarHBondContact O-CD 3.16Å; K61-R64 PolarHBondContact O-NE 2.82Å; P62-R64 PolarHBondContact O-N 2.86Å; R64-V73 HydrophobicContact CB-CG2 3.77Å; R64-V73 HydrophobicContact CG-CG1 4.22Å; R64-V73 HydrophobicContact CG-CG2 4.11Å; R64-E75 IonicContact CZ-OE1 2.82Å; R64-E75 IonicContact NH1-OE1 3.11Å; R64-E75 PolarHBondContact NH1-OE1 2.86Å; R64-E75 IonicContact NH2-OE1 3.16Å; R64-E75 PolarHBondContact NH2-OE1 2.85Å |
| 65 | V | 97.9 | Very high | 96.1 | Very high | 69 Ų | 69 | 75.8 Ų | 75.8 | 42% | 0.418 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 113.4 | -174.9 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | R50 V52 K63 | R50-V65 HydrophobicContact CB-CG1 4.48Å; V52-V65 HydrophobicContact CG1-CG2 4.22Å; V52-V65 HydrophobicContact CG2-CG1 4.24Å; V52-V65 HydrophobicContact CG2-CG2 4.15Å; K63-V65 HydrophobicContact CG-CG2 4.43Å |
| 66 | C | 96.7 | Very high | 96 | Very high | 24 Ų | 24 | 76.6 Ų | 76.6 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.6 | 178.7 | -54.4 | 0 | 0 | 0 | 0 | 108.6 | R50 V51 Y71 K72 | R50-C66 CarbonylContact C-O 3.53Å; R50-C66 WeakPolarHBondContact CA-O 2.79Å; R50-C66 VanDerWaalsContact CB-O 3.3Å; R50-C66 WeakPolarHBondContact CB-O 3.12Å; V51-C66 PolarHBondContact N-O 3.34Å; V51-C66 PolarHBondContact O-N 3.03Å; C66-Y71 HydrophobicContact CB-CD1 3.96Å; C66-Y71 WeakPolarHBondContact O-CD1 3.25Å; C66-K72 PolarHBondContact SG-O 3.46Å; C66-K72 VanDerWaalsContact SG-O 3.38Å |
| 67 | K | 96.2 | Very high | 96 | Very high | 145 Ų | 145 | 72 Ų | 72 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | trans | -86.5 | -27.1 | -179.2 | -66.1 | -177.3 | 179.4 | 179.4 | 0 | 113.5 | R50 Y71 | R50-K67 HydrophobicContact CB-CG 4.31Å; K67-Y71 WeakPolarHBondContact O-CE1 3.32Å; K67-Y71 PolarHBondContact O-OH 3.36Å | ||
| 68 | E | 93.1 | Very high | 95.9 | Very high | 137 Ų | 137 | 71.7 Ų | 71.7 | 64% | 0.64 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -132 | 154.9 | -171.8 | -71.8 | 165.9 | -162 | 0 | 0 | 109.1 | ||
| 69 | P | 92.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 70.9 Ų | 70.9 | 39% | 0.39 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -69.6 | 152.7 | 177.2 | 29.6 | -34.6 | 0 | 0 | 0 | 111.5 | Q45 Y71 | Q45-P69 HydrophobicContact CB-CG 4.3Å; Q45-P69 HydrophobicContact CG-CG 4.44Å; P69-Y71 HydrophobicContact CB-CD2 4.12Å; P69-Y71 HydrophobicContact CB-CE2 3.88Å; P69-Y71 HydrophobicContact CG-CE2 4.44Å |
| 70 | P | 95.1 | Very high | 95.9 | Very high | 96 Ų | 96 | 71.9 Ų | 71.9 | 62% | 0.623 | 38% | 0.375 | S | S | * | . | S | Bend | cis | -73.8 | 127.9 | -3.7 | 30.1 | -34 | 0 | 0 | 0 | 111.7 | K72 | P70-K72 HydrophobicContact CB-CG 4.28Å; P70-K72 HydrophobicContact CG-CD 4.48Å; P70-K72 HydrophobicContact CG-CG 4.3Å; P70-K72 PolarHBondContact O-N 2.98Å |
| 71 | Y | 97.1 | Very high | 96 | Very high | 5 Ų | 5 | 68.6 Ų | 68.6 | 2% | 0.02 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 76.1 | 177.1 | -54.7 | -83.8 | 0 | 0 | 0 | 109.6 | F35 V36 I44 V48 V51 F53 C66 K67 P69 | F35-Y71 CarbonylContact C-O 3.57Å; F35-Y71 WeakPolarHBondContact CA-O 3.44Å; V36-Y71 PolarHBondContact N-O 3.28Å; I44-Y71 HydrophobicContact CD1-CD2 3.84Å; I44-Y71 HydrophobicContact CD1-CE2 3.9Å; I44-Y71 HydrophobicContact CG1-CD2 4.4Å; I44-Y71 HydrophobicContact CG1-CE2 4.05Å; V48-Y71 HydrophobicContact CG1-CE1 4.17Å; V51-Y71 HydrophobicContact CB-CD1 4.07Å; V51-Y71 HydrophobicContact CB-CG 4.38Å; V51-Y71 HydrophobicContact CG2-CD1 3.64Å; V51-Y71 HydrophobicContact CG2-CD2 4.46Å; V51-Y71 HydrophobicContact CG2-CE1 4.31Å; V51-Y71 HydrophobicContact CG2-CG 3.72Å; F53-Y71 WeakPolarHBondContact CZ-O 3.35Å; C66-Y71 HydrophobicContact CB-CD1 3.96Å; C66-Y71 WeakPolarHBondContact O-CD1 3.25Å; K67-Y71 WeakPolarHBondContact O-CE1 3.32Å; K67-Y71 PolarHBondContact O-OH 3.36Å; P69-Y71 HydrophobicContact CB-CD2 4.12Å; P69-Y71 HydrophobicContact CB-CE2 3.88Å; P69-Y71 HydrophobicContact CG-CE2 4.44Å |
| 72 | K | 96.8 | Very high | 96.2 | Very high | 73 Ų | 73 | 64.9 Ų | 64.9 | 32% | 0.317 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 162.1 | -179.6 | 67 | 167.6 | -176.4 | 166.4 | 0 | 113.4 | M33 V34 F35 C66 P70 E74 | M33-K72 HydrophobicContact CG-CD 4.19Å; M33-K72 HydrophobicContact SD-CB 3.98Å; M33-K72 HydrophobicContact SD-CD 4.1Å; V34-K72 CarbonylContact O-C 3.6Å; V34-K72 WeakPolarHBondContact O-CA 3.33Å; V34-K72 VanDerWaalsContact O-CB 3.26Å; V34-K72 WeakPolarHBondContact O-CB 3.36Å; F35-K72 HydrophobicContact CB-CB 4Å; C66-K72 PolarHBondContact SG-O 3.46Å; C66-K72 VanDerWaalsContact SG-O 3.38Å; P70-K72 HydrophobicContact CB-CG 4.28Å; P70-K72 HydrophobicContact CG-CD 4.48Å; P70-K72 HydrophobicContact CG-CG 4.3Å; P70-K72 PolarHBondContact O-N 2.98Å; K72-E74 HydrophobicContact CD-CG 4.39Å; K72-E74 WeakPolarHBondContact CE-OE2 3.37Å; K72-E74 IonicContact NZ-OE1 3.13Å; K72-E74 PolarHBondContact NZ-OE1 3.06Å; K72-E74 IonicContact NZ-OE2 3.75Å; K72-E74 PolarHBondContact NZ-OE2 3.34Å |
| 73 | V | 97.7 | Very high | 96.2 | Very high | 10 Ų | 10 | 63.2 Ų | 63.2 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133 | 167.4 | 176 | 0 | 0 | 0 | 0 | 108.4 | W32 M33 V34 F53 L55 R64 E75 | W32-V73 HydrophobicContact CH2-CG1 4.43Å; W32-V73 HydrophobicContact CZ3-CG1 4.3Å; M33-V73 CarbonylContact C-O 3.58Å; M33-V73 WeakPolarHBondContact CA-O 3.38Å; V34-V73 HydrophobicContact CG1-CB 3.95Å; V34-V73 PolarHBondContact N-O 3.46Å; V34-V73 PolarHBondContact O-N 2.99Å; F53-V73 HydrophobicContact CB-CG2 4.09Å; F53-V73 HydrophobicContact CD2-CG2 3.53Å; F53-V73 HydrophobicContact CE2-CG2 4.07Å; F53-V73 HydrophobicContact CG-CG2 3.82Å; L55-V73 HydrophobicContact CD2-CG1 4.49Å; R64-V73 HydrophobicContact CB-CG2 3.77Å; R64-V73 HydrophobicContact CG-CG1 4.22Å; R64-V73 HydrophobicContact CG-CG2 4.11Å; V73-E75 HydrophobicContact CG1-CG 4.1Å |
| 74 | E | 97.5 | Very high | 96.3 | Very high | 116 Ų | 116 | 59.4 Ų | 59.4 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.4 | 177.7 | -73.5 | 169 | 155.3 | 0 | 0 | 108.6 | W32 M33 K72 | W32-E74 WeakPolarHBondContact O-CA 3.49Å; M33-E74 HydrophobicContact CB-CG 3.79Å; M33-E74 HydrophobicContact CG-CG 3.3Å; M33-E74 WeakPolarHBondContact CG-OE1 3.46Å; K72-E74 HydrophobicContact CD-CG 4.39Å; K72-E74 WeakPolarHBondContact CE-OE2 3.37Å; K72-E74 IonicContact NZ-OE1 3.13Å; K72-E74 PolarHBondContact NZ-OE1 3.06Å; K72-E74 IonicContact NZ-OE2 3.75Å; K72-E74 PolarHBondContact NZ-OE2 3.34Å |
| 75 | E | 97 | Very high | 96.3 | Very high | 47 Ų | 47 | 57 Ų | 57 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 166.4 | -172.1 | -87.6 | -62.1 | 171.4 | 0 | 0 | 111.2 | W32 L55 F59 R64 V73 | W32-E75 HydrophobicContact CD2-CB 4.14Å; W32-E75 HydrophobicContact CE3-CB 4.28Å; W32-E75 HydrophobicContact CH2-CB 3.49Å; W32-E75 VanDerWaalsContact CH2-CB 3.49Å; W32-E75 HydrophobicContact CH2-CG 3.86Å; W32-E75 HydrophobicContact CZ2-CB 3.33Å; W32-E75 HydrophobicContact CZ2-CG 4.01Å; W32-E75 HydrophobicContact CZ3-CB 3.98Å; W32-E75 PolarHBondContact N-O 2.98Å; W32-E75 PolarHBondContact O-N 2.82Å; L55-E75 HydrophobicContact CD1-CG 4.3Å; F59-E75 HydrophobicContact CD1-CG 4.25Å; F59-E75 HydrophobicContact CE1-CB 4.2Å; F59-E75 HydrophobicContact CE1-CG 4.22Å; R64-E75 IonicContact CZ-OE1 2.82Å; R64-E75 IonicContact NH1-OE1 3.11Å; R64-E75 PolarHBondContact NH1-OE1 2.86Å; R64-E75 IonicContact NH2-OE1 3.16Å; R64-E75 PolarHBondContact NH2-OE1 2.85Å; V73-E75 HydrophobicContact CG1-CG 4.1Å |
| 76 | S | 96.5 | Very high | 96.3 | Very high | 26 Ų | 26 | 54 Ų | 54 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 149.8 | 167.7 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | F28 H30 D31 F59 | F28-S76 VanDerWaalsContact CD2-CB 3.42Å; H30-S76 CarbonylContact O-C 3.51Å; H30-S76 WeakPolarHBondContact O-CA 3.25Å; H30-S76 WeakPolarHBondContact O-CB 3.49Å; D31-S76 PolarHBondContact OD1-OG 2.95Å; F59-S76 WeakPolarHBondContact CE1-O 3.42Å |
| 77 | G | 95.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 173.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F28 T29 H30 | F28-G77 CarbonylContact C-O 3.58Å; F28-G77 WeakPolarHBondContact CA-O 3.46Å; T29-G77 PolarHBondContact N-O 2.88Å; H30-G77 PolarHBondContact N-O 2.85Å; H30-G77 PolarHBondContact O-N 2.9Å |
| 78 | Y | 94.8 | Very high | 96.4 | Very high | 136 Ų | 136 | 48 Ų | 48 | 53% | 0.533 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -119.9 | -18.9 | 177.8 | 60.9 | -100.2 | 0 | 0 | 0 | 114 | F28 | F28-Y78 HydrophobicContact CD1-CD1 4.01Å; F28-Y78 HydrophobicContact CE1-CD1 4.16Å |
| 79 | A | 94.8 | Very high | 96.6 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -144.7 | 153.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 80 | G | 94.8 | Very high | 96.6 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | trans | -78.4 | 161.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L104 | G80-L104 CarbonylContact C-O 3.48Å; G80-L104 WeakPolarHBondContact CA-O 3.4Å | ||
| 81 | F | 97.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 155.4 | -179.7 | 65.9 | -81.2 | 0 | 0 | 0 | 112.9 | W32 L55 H56 F59 M83 L104 | W32-F81 HydrophobicContact CZ2-CE1 4.35Å; L55-F81 HydrophobicContact CB-CZ 4.39Å; L55-F81 HydrophobicContact CD2-CZ 4.14Å; H56-F81 HydrophobicContact CB-CD1 4.36Å; H56-F81 HydrophobicContact CB-CD2 3.87Å; H56-F81 HydrophobicContact CB-CE2 4.13Å; H56-F81 HydrophobicContact CB-CG 4.01Å; H56-F81 HydrophobicContact CB-CZ 4.5Å; H56-F81 VanDerWaalsContact N-CE2 3.28Å; F59-F81 AromaticContact CE2-CE1 3.96Å; F59-F81 HydrophobicContact CE2-CE1 3.96Å; F59-F81 HydrophobicContact CE2-CZ 4.36Å; F81-M83 HydrophobicContact CD2-CB 4.17Å; F81-M83 HydrophobicContact CE2-CB 3.66Å; F81-M83 HydrophobicContact CE2-CG 4.26Å; F81-M83 HydrophobicContact CE2-SD 4.45Å; F81-M83 HydrophobicContact CZ-CB 4.39Å; F81-M83 HydrophobicContact CZ-SD 4.44Å; F81-M83 PolarHBondContact O-N 2.83Å; F81-L104 PolarHBondContact N-O 2.77Å; F81-L104 PolarHBondContact O-N 2.9Å; F81-L104 VanDerWaalsContact O-N 3.07Å |
| 82 | I | 97.3 | Very high | 96 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 52% | 0.523 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.9 | 170.3 | -52.9 | -57.9 | 0 | 0 | 0 | 109.6 | N101 D103 | I82-N101 HydrophobicContact CG2-CB 4.05Å; I82-D103 HydrophobicContact CD1-CB 3.75Å |
| 83 | M | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 113.1 | -179.1 | 172.5 | 163.5 | 37.3 | 0 | 0 | 110.8 | V34 F53 R54 L55 F81 I85 Y102 L104 | V34-M83 HydrophobicContact CB-CE 3.9Å; V34-M83 HydrophobicContact CG1-CE 3.82Å; V34-M83 HydrophobicContact CG1-SD 4.18Å; V34-M83 HydrophobicContact CG2-CE 3.69Å; F53-M83 HydrophobicContact CB-SD 4.1Å; F53-M83 HydrophobicContact CD1-SD 4.14Å; R54-M83 WeakPolarHBondContact O-CG 3.4Å; L55-M83 HydrophobicContact CD2-SD 3.78Å; F81-M83 HydrophobicContact CD2-CB 4.17Å; F81-M83 HydrophobicContact CE2-CB 3.66Å; F81-M83 HydrophobicContact CE2-CG 4.26Å; F81-M83 HydrophobicContact CE2-SD 4.45Å; F81-M83 HydrophobicContact CZ-CB 4.39Å; F81-M83 HydrophobicContact CZ-SD 4.44Å; F81-M83 PolarHBondContact O-N 2.83Å; M83-I85 HydrophobicContact CG-CG1 3.94Å; M83-I85 PolarHBondContact O-N 2.89Å; M83-Y102 HydrophobicContact CE-CD1 4.33Å; M83-Y102 PolarHBondContact N-O 3.35Å; M83-Y102 WeakPolarHBondContact O-CB 3.33Å; M83-Y102 PolarHBondContact O-N 2.94Å; M83-L104 HydrophobicContact CE-CB 4.05Å; M83-L104 HydrophobicContact CE-CD1 3.53Å; M83-L104 HydrophobicContact CE-CG 4.43Å |
| 84 | P | 98.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 25% | 0.253 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 120.3 | 168.8 | -18.4 | 30.9 | 0 | 0 | 0 | 111.2 | R54 I99 F100 | R54-P84 HydrophobicContact CB-CB 4.3Å; R54-P84 HydrophobicContact CB-CG 4.41Å; R54-P84 WeakPolarHBondContact CB-O 3Å; R54-P84 PolarHBondContact N-O 3.15Å; P84-I99 HydrophobicContact CB-CG2 4.26Å; P84-F100 WeakPolarHBondContact CA-O 3.39Å |
| 85 | I | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 110.8 | 177 | -57.6 | 180 | 0 | 0 | 0 | 108.3 | L13 V34 V36 V51 V52 F53 M83 V87 I99 F100 Y102 | L13-I85 HydrophobicContact CD2-CB 4.28Å; L13-I85 HydrophobicContact CD2-CD1 4Å; L13-I85 HydrophobicContact CD2-CG2 4.11Å; V34-I85 HydrophobicContact CG2-CD1 4.1Å; V36-I85 HydrophobicContact CG2-CG2 3.77Å; V51-I85 HydrophobicContact CG1-CG2 3.64Å; V52-I85 WeakPolarHBondContact O-CA 3.46Å; F53-I85 HydrophobicContact CD1-CD1 3.89Å; F53-I85 HydrophobicContact CD1-CG1 3.87Å; F53-I85 HydrophobicContact CD1-CG2 4.17Å; F53-I85 HydrophobicContact CE1-CD1 3.92Å; F53-I85 HydrophobicContact CE1-CG1 4.29Å; F53-I85 HydrophobicContact CE1-CG2 4.09Å; M83-I85 HydrophobicContact CG-CG1 3.94Å; M83-I85 PolarHBondContact O-N 2.89Å; I85-V87 HydrophobicContact CG2-CG2 4.42Å; I85-I99 WeakPolarHBondContact O-CA 3.45Å; I85-F100 PolarHBondContact N-O 2.8Å; I85-F100 PolarHBondContact O-N 3.21Å; I85-Y102 HydrophobicContact CD1-CD1 4.35Å; I85-Y102 HydrophobicContact CD1-CD2 4.33Å; I85-Y102 HydrophobicContact CD1-CG 3.83Å |
| 86 | E | 97.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.023 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.1 | 176.4 | -41.9 | -176.6 | -161.3 | 0 | 0 | 110.6 | V51 V52 R54 Y88 K97 V98 I99 | V51-E86 CarbonylContact C-O 3.59Å; V51-E86 WeakPolarHBondContact CA-O 3.44Å; V52-E86 HydrophobicContact CB-CB 4.15Å; V52-E86 PolarHBondContact N-O 3.42Å; V52-E86 PolarHBondContact O-N 2.9Å; R54-E86 IonicContact CZ-OE1 3.16Å; R54-E86 IonicContact NE-OE1 2.68Å; R54-E86 PolarHBondContact NE-OE1 2.9Å; R54-E86 IonicContact NH2-OE1 2.79Å; R54-E86 PolarHBondContact NH2-OE1 2.68Å; E86-Y88 HydrophobicContact CB-CD2 4.27Å; E86-Y88 HydrophobicContact CB-CE2 3.83Å; E86-Y88 WeakPolarHBondContact OE2-CE2 3.5Å; E86-Y88 PolarHBondContact OE2-OH 2.87Å; E86-Y88 VanDerWaalsContact OE2-OH 3.05Å; E86-K97 IonicContact OE1-NZ 2.66Å; E86-K97 IonicContact OE2-NZ 2.65Å; E86-K97 PolarHBondContact OE2-NZ 2.9Å; E86-V98 CarbonylContact C-O 3.48Å; E86-V98 WeakPolarHBondContact CA-O 3.43Å; E86-I99 HydrophobicContact CB-CG1 4.4Å; E86-I99 HydrophobicContact CG-CD1 4.3Å; E86-I99 HydrophobicContact CG-CG1 4.08Å; E86-I99 HydrophobicContact CG-CG2 4.34Å |
| 87 | V | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111.2 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | L11 V36 V48 V51 I85 F89 K97 V98 F100 | L11-V87 HydrophobicContact CD1-CG1 4.3Å; L11-V87 HydrophobicContact CD1-CG2 4.42Å; V36-V87 HydrophobicContact CG1-CG2 4.23Å; V48-V87 HydrophobicContact CG1-CG1 4.05Å; V48-V87 HydrophobicContact CG2-CG1 3.79Å; V51-V87 HydrophobicContact CG1-CG2 4.34Å; V51-V87 HydrophobicContact CG2-CG1 4.44Å; V51-V87 HydrophobicContact CG2-CG2 4.26Å; I85-V87 HydrophobicContact CG2-CG2 4.42Å; V87-F89 HydrophobicContact CG1-CD1 4.36Å; V87-F89 HydrophobicContact CG1-CE1 3.92Å; V87-K97 CarbonylContact O-C 3.5Å; V87-K97 WeakPolarHBondContact O-CA 3.12Å; V87-K97 VanDerWaalsContact O-CB 3.31Å; V87-K97 WeakPolarHBondContact O-CB 3.36Å; V87-V98 HydrophobicContact CB-CG1 3.9Å; V87-V98 PolarHBondContact N-O 2.85Å; V87-V98 PolarHBondContact O-N 3.04Å; V87-F100 HydrophobicContact CG2-CD2 4.23Å; V87-F100 HydrophobicContact CG2-CE2 3.99Å |
| 88 | Y | 97.2 | Very high | 94.5 | Very high | 44 Ų | 44 | 58 Ų | 58 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 139 | 176.8 | -75.4 | -105.2 | 0 | 0 | 0 | 110.4 | V48 E49 R50 V52 E86 K97 | V48-Y88 CarbonylContact C-O 3.59Å; V48-Y88 WeakPolarHBondContact CA-O 3.46Å; E49-Y88 PolarHBondContact N-O 2.87Å; R50-Y88 HydrophobicContact CG-CD2 4.21Å; R50-Y88 HydrophobicContact CG-CG 4.15Å; R50-Y88 WeakPolarHBondContact O-CB 3.13Å; R50-Y88 PolarHBondContact O-N 3.38Å; V52-Y88 HydrophobicContact CB-CE2 4.44Å; V52-Y88 HydrophobicContact CG2-CD2 3.99Å; V52-Y88 HydrophobicContact CG2-CE2 3.68Å; E86-Y88 HydrophobicContact CB-CD2 4.27Å; E86-Y88 HydrophobicContact CB-CE2 3.83Å; E86-Y88 WeakPolarHBondContact OE2-CE2 3.5Å; E86-Y88 PolarHBondContact OE2-OH 2.87Å; E86-Y88 VanDerWaalsContact OE2-OH 3.05Å; Y88-K97 HydrophobicContact CD1-CB 4.07Å; Y88-K97 HydrophobicContact CD1-CD 4.37Å; Y88-K97 HydrophobicContact CD2-CB 4.35Å; Y88-K97 HydrophobicContact CE1-CB 4.37Å; Y88-K97 HydrophobicContact CE1-CD 3.81Å; Y88-K97 HydrophobicContact CE2-CD 4Å; Y88-K97 HydrophobicContact CG-CB 4.07Å |
| 89 | F | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 147 | -178.7 | -53 | -52.3 | 0 | 0 | 0 | 111.7 | F47 V87 N91 P95 K96 V98 L122 F124 F131 | F47-F89 AromaticContact CD2-CD1 3.92Å; F47-F89 HydrophobicContact CD2-CD1 3.92Å; F47-F89 HydrophobicContact CD2-CE1 4.31Å; F47-F89 HydrophobicContact CE2-CD1 4.15Å; F47-F89 HydrophobicContact CE2-CE1 4.08Å; F47-F89 CarbonylContact O-C 3.58Å; F47-F89 VanDerWaalsContact O-CA 3.3Å; F47-F89 WeakPolarHBondContact O-CA 3.21Å; V87-F89 HydrophobicContact CG1-CD1 4.36Å; V87-F89 HydrophobicContact CG1-CE1 3.92Å; F89-N91 HydrophobicContact CB-CB 4.11Å; F89-N91 PolarHBondContact O-N 2.86Å; F89-P95 HydrophobicContact CE2-CG 4.48Å; F89-K96 PolarHBondContact N-O 2.78Å; F89-V98 HydrophobicContact CE1-CG1 4.29Å; F89-V98 HydrophobicContact CE2-CB 4.22Å; F89-V98 HydrophobicContact CE2-CG1 4.3Å; F89-V98 HydrophobicContact CZ-CB 3.92Å; F89-V98 HydrophobicContact CZ-CG1 3.54Å; F89-L122 HydrophobicContact CE1-CD1 3.92Å; F89-L122 HydrophobicContact CZ-CD1 3.69Å; F89-F124 HydrophobicContact CD1-CZ 4.4Å; F89-F124 HydrophobicContact CD2-CE1 4.04Å; F89-F124 HydrophobicContact CD2-CZ 4.13Å; F89-F124 HydrophobicContact CE1-CZ 4.08Å; F89-F124 AromaticContact CE2-CE1 3.85Å; F89-F124 HydrophobicContact CE2-CE1 3.85Å; F89-F124 AromaticContact CE2-CZ 3.78Å; F89-F124 HydrophobicContact CE2-CZ 3.78Å; F89-F124 HydrophobicContact CG-CZ 4.43Å; F89-F124 HydrophobicContact CZ-CE1 4.3Å; F89-F124 AromaticContact CZ-CZ 3.75Å; F89-F124 HydrophobicContact CZ-CZ 3.75Å; F89-F131 HydrophobicContact CB-CE2 3.94Å; F89-F131 HydrophobicContact CB-CZ 3.84Å; F89-F131 HydrophobicContact CG-CZ 4.15Å |
| 90 | K | 93.6 | Very high | 94.7 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -73.6 | 42.9 | 169 | -71.7 | 169.2 | 171.2 | 154.6 | 0 | 111.6 | Q45 F47 V48 E49 K134 | Q45-K90 PolarHBondContact O-NZ 3.26Å; F47-K90 PolarHBondContact O-N 2.88Å; V48-K90 VanDerWaalsContact O-CD 3.26Å; V48-K90 WeakPolarHBondContact O-CD 3.5Å; V48-K90 WeakPolarHBondContact O-CE 3.49Å; V48-K90 PolarHBondContact O-NZ 3.16Å; E49-K90 HydrophobicContact CB-CG 3.97Å; K90-K134 HydrophobicContact CB-CD 4.08Å; K90-K134 PolarHBondContact O-NZ 3.11Å |
| 91 | N | 92.1 | Very high | 94.7 | Very high | 22 Ų | 22 | 57 Ų | 57 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | trans | -105.6 | 145.1 | 178.5 | -168.9 | 14.9 | 0 | 0 | 0 | 110 | F89 E93 P95 F131 | F89-N91 HydrophobicContact CB-CB 4.11Å; F89-N91 PolarHBondContact O-N 2.86Å; N91-E93 PolarHBondContact ND2-O 3.49Å; N91-E93 VanDerWaalsContact ND2-O 3.11Å; N91-E93 PolarHBondContact OD1-N 2.91Å; N91-P95 PolarHBondContact ND2-O 2.82Å; N91-F131 HydrophobicContact CB-CD1 4.07Å; N91-F131 HydrophobicContact CB-CD2 3.8Å; N91-F131 HydrophobicContact CB-CE1 4.09Å; N91-F131 HydrophobicContact CB-CE2 3.84Å; N91-F131 HydrophobicContact CB-CG 3.94Å; N91-F131 HydrophobicContact CB-CZ 4Å | ||
| 92 | K | 88.1 | Confident | 94.7 | Very high | 143 Ų | 143 | 55.8 Ų | 55.8 | 62% | 0.622 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -88.1 | -33.5 | 174.9 | -68.3 | 166.7 | 175.6 | 167.4 | 0 | 111.4 | K96 E130 | K92-K96 WeakPolarHBondContact O-CE 3.4Å; K92-E130 VanDerWaalsContact CE-OE2 3.32Å; K92-E130 WeakPolarHBondContact CE-OE2 3.32Å; K92-E130 IonicContact NZ-OE1 2.74Å; K92-E130 PolarHBondContact NZ-OE1 2.85Å; K92-E130 IonicContact NZ-OE2 2.77Å; K92-E130 PolarHBondContact NZ-OE2 2.93Å |
| 93 | E | 88.3 | Confident | 94.7 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -92.4 | -176.3 | -178.6 | -70.7 | 168.7 | -169.9 | 0 | 0 | 111.4 | N91 P95 K96 T128 | N91-E93 PolarHBondContact ND2-O 3.49Å; N91-E93 VanDerWaalsContact ND2-O 3.11Å; N91-E93 PolarHBondContact OD1-N 2.91Å; E93-P95 CarbonylContact O-C 3.6Å; E93-K96 WeakPolarHBondContact O-CG 3.45Å; E93-T128 HydrophobicContact CG-CG2 4.07Å; E93-T128 WeakPolarHBondContact OE1-CG2 3.26Å; E93-T128 WeakPolarHBondContact OE2-CG2 3.31Å |
| 94 | E | 86.9 | Confident | 94.7 | Very high | 154 Ų | 154 | 54.6 Ų | 54.6 | 72% | 0.72 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -96.7 | 145.6 | 178.7 | -50.4 | -148.8 | 145.9 | 0 | 0 | 111.1 | K96 | E94-K96 HydrophobicContact CG-CG 4.47Å; E94-K96 IonicContact OE1-NZ 2.68Å; E94-K96 PolarHBondContact OE1-NZ 2.84Å |
| 95 | P | 89.7 | Confident | 94.5 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | cis | -72.3 | 139 | -2.1 | 30.5 | -34.8 | 0 | 0 | 0 | 112.6 | F89 N91 E93 F124 | F89-P95 HydrophobicContact CE2-CG 4.48Å; N91-P95 PolarHBondContact ND2-O 2.82Å; E93-P95 CarbonylContact O-C 3.6Å; P95-F124 HydrophobicContact CG-CD1 4.32Å; P95-F124 HydrophobicContact CG-CE1 4.01Å | ||
| 96 | K | 92.8 | Very high | 94.4 | Very high | 102 Ų | 102 | 57.2 Ų | 57.2 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -87.9 | -18.1 | 174.1 | -65.6 | 173.4 | -175.2 | 127.5 | 0 | 112.7 | F89 K92 E93 E94 | F89-K96 PolarHBondContact N-O 2.78Å; K92-K96 WeakPolarHBondContact O-CE 3.4Å; E93-K96 WeakPolarHBondContact O-CG 3.45Å; E94-K96 HydrophobicContact CG-CG 4.47Å; E94-K96 IonicContact OE1-NZ 2.68Å; E94-K96 PolarHBondContact OE1-NZ 2.84Å |
| 97 | K | 94.6 | Very high | 94.1 | Very high | 73 Ų | 73 | 59.2 Ų | 59.2 | 32% | 0.317 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 160.7 | 175.1 | 69.9 | -178.2 | -168.4 | 174.7 | 0 | 110.4 | E86 V87 Y88 | E86-K97 IonicContact OE1-NZ 2.66Å; E86-K97 IonicContact OE2-NZ 2.65Å; E86-K97 PolarHBondContact OE2-NZ 2.9Å; V87-K97 CarbonylContact O-C 3.5Å; V87-K97 WeakPolarHBondContact O-CA 3.12Å; V87-K97 VanDerWaalsContact O-CB 3.31Å; V87-K97 WeakPolarHBondContact O-CB 3.36Å; Y88-K97 HydrophobicContact CD1-CB 4.07Å; Y88-K97 HydrophobicContact CD1-CD 4.37Å; Y88-K97 HydrophobicContact CD2-CB 4.35Å; Y88-K97 HydrophobicContact CE1-CB 4.37Å; Y88-K97 HydrophobicContact CE1-CD 3.81Å; Y88-K97 HydrophobicContact CE2-CD 4Å; Y88-K97 HydrophobicContact CG-CB 4.07Å |
| 98 | V | 96.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 65.8 Ų | 65.8 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 157.4 | 161.6 | 64.6 | 0 | 0 | 0 | 0 | 109 | E86 V87 F89 F100 L122 | E86-V98 CarbonylContact C-O 3.48Å; E86-V98 WeakPolarHBondContact CA-O 3.43Å; V87-V98 HydrophobicContact CB-CG1 3.9Å; V87-V98 PolarHBondContact N-O 2.85Å; V87-V98 PolarHBondContact O-N 3.04Å; F89-V98 HydrophobicContact CE1-CG1 4.29Å; F89-V98 HydrophobicContact CE2-CB 4.22Å; F89-V98 HydrophobicContact CE2-CG1 4.3Å; F89-V98 HydrophobicContact CZ-CB 3.92Å; F89-V98 HydrophobicContact CZ-CG1 3.54Å; V98-F100 HydrophobicContact CB-CE2 4.48Å; V98-F100 HydrophobicContact CG1-CD2 4.13Å; V98-F100 HydrophobicContact CG1-CE2 3.38Å; V98-F100 HydrophobicContact CG1-CZ 3.66Å; V98-F100 HydrophobicContact CG2-CE1 4.15Å; V98-F100 HydrophobicContact CG2-CE2 4.3Å; V98-F100 HydrophobicContact CG2-CZ 4Å; V98-L122 HydrophobicContact CB-CD2 4.45Å; V98-L122 HydrophobicContact CG1-CD1 4.27Å; V98-L122 HydrophobicContact CG1-CD2 4.34Å; V98-L122 HydrophobicContact CG2-CD2 4.14Å |
| 99 | I | 97 | Very high | 93.1 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 42% | 0.415 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.6 | 173.8 | -50.5 | -177.2 | 0 | 0 | 0 | 108.1 | P84 I85 E86 | P84-I99 HydrophobicContact CB-CG2 4.26Å; I85-I99 WeakPolarHBondContact O-CA 3.45Å; E86-I99 HydrophobicContact CB-CG1 4.4Å; E86-I99 HydrophobicContact CG-CD1 4.3Å; E86-I99 HydrophobicContact CG-CG1 4.08Å; E86-I99 HydrophobicContact CG-CG2 4.34Å |
| 100 | F | 96.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 75.3 Ų | 75.3 | 6% | 0.057 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.4 | 172.6 | -56.5 | -78.2 | 0 | 0 | 0 | 109.2 | L11 L13 P84 I85 V87 V98 Y102 E120 L122 | L11-F100 HydrophobicContact CD1-CE2 4.09Å; L11-F100 HydrophobicContact CD1-CZ 4.25Å; L13-F100 HydrophobicContact CD1-CD2 4.11Å; L13-F100 HydrophobicContact CD1-CE2 4.08Å; L13-F100 HydrophobicContact CD1-CG 4.3Å; L13-F100 HydrophobicContact CD1-CZ 4.28Å; L13-F100 HydrophobicContact CD2-CB 3.91Å; L13-F100 HydrophobicContact CD2-CD2 3.55Å; L13-F100 HydrophobicContact CD2-CE2 4.2Å; L13-F100 HydrophobicContact CD2-CG 3.86Å; L13-F100 HydrophobicContact CG-CD2 4.47Å; P84-F100 WeakPolarHBondContact CA-O 3.39Å; I85-F100 PolarHBondContact N-O 2.8Å; I85-F100 PolarHBondContact O-N 3.21Å; V87-F100 HydrophobicContact CG2-CD2 4.23Å; V87-F100 HydrophobicContact CG2-CE2 3.99Å; V98-F100 HydrophobicContact CB-CE2 4.48Å; V98-F100 HydrophobicContact CG1-CD2 4.13Å; V98-F100 HydrophobicContact CG1-CE2 3.38Å; V98-F100 HydrophobicContact CG1-CZ 3.66Å; V98-F100 HydrophobicContact CG2-CE1 4.15Å; V98-F100 HydrophobicContact CG2-CE2 4.3Å; V98-F100 HydrophobicContact CG2-CZ 4Å; F100-Y102 PolarHBondContact O-N 3.38Å; F100-E120 HydrophobicContact CD1-CG 3.83Å; F100-E120 HydrophobicContact CE1-CB 3.73Å; F100-E120 HydrophobicContact CE1-CG 3.46Å; F100-E120 VanDerWaalsContact CE1-CG 3.46Å; F100-E120 HydrophobicContact CZ-CB 3.99Å; F100-E120 HydrophobicContact CZ-CG 4.12Å; F100-L122 HydrophobicContact CE1-CD2 4.46Å; F100-L122 HydrophobicContact CZ-CD2 4.01Å; F100-L122 HydrophobicContact CZ-CG 4.5Å |
| 101 | N | 96.1 | Very high | 92.4 | Very high | 105 Ų | 105 | 76.4 Ų | 76.4 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 103.1 | 167 | -67.1 | -21.6 | 0 | 0 | 0 | 107.1 | I82 R118 | I82-N101 HydrophobicContact CG2-CB 4.05Å; N101-R118 PolarHBondContact O-NH1 3.48Å |
| 102 | Y | 97.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.008 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.7 | -175.1 | -172 | -88.1 | 0 | 0 | 0 | 109.9 | L13 G14 H15 V34 M83 I85 F100 L104 R118 | L13-Y102 HydrophobicContact CB-CD2 3.84Å; L13-Y102 HydrophobicContact CB-CE2 3.83Å; L13-Y102 WeakPolarHBondContact O-CE2 3.45Å; G14-Y102 VanDerWaalsContact C-OH 3.24Å; G14-Y102 WeakPolarHBondContact CA-OH 3.33Å; H15-Y102 HydrophobicContact CB-CE1 4.07Å; H15-Y102 AromaticContact CG-CE1 4Å; H15-Y102 PolarHBondContact N-OH 3.1Å; H15-Y102 VanDerWaalsContact N-OH 3.09Å; H15-Y102 AromaticContact ND1-CE1 3.44Å; H15-Y102 WeakPolarHBondContact ND1-CE1 3.19Å; H15-Y102 AromaticContact ND1-CZ 3.61Å; H15-Y102 PolarHBondContact ND1-OH 3.3Å; V34-Y102 HydrophobicContact CG2-CD1 4.4Å; V34-Y102 HydrophobicContact CG2-CE1 4.27Å; M83-Y102 HydrophobicContact CE-CD1 4.33Å; M83-Y102 PolarHBondContact N-O 3.35Å; M83-Y102 WeakPolarHBondContact O-CB 3.33Å; M83-Y102 PolarHBondContact O-N 2.94Å; I85-Y102 HydrophobicContact CD1-CD1 4.35Å; I85-Y102 HydrophobicContact CD1-CD2 4.33Å; I85-Y102 HydrophobicContact CD1-CG 3.83Å; F100-Y102 PolarHBondContact O-N 3.38Å; Y102-L104 PolarHBondContact O-N 3.23Å; Y102-R118 HydrophobicContact CE2-CB 4.16Å |
| 103 | D | 96.2 | Very high | 92.5 | Very high | 78 Ų | 78 | 76.4 Ų | 76.4 | 42% | 0.417 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.3 | 175 | -170.3 | 12.4 | 0 | 0 | 0 | 110.2 | I82 | I82-D103 HydrophobicContact CD1-CB 3.75Å |
| 104 | L | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 91.9 | 169.9 | -171.5 | 157.5 | 0 | 0 | 0 | 107.3 | W32 V34 G80 F81 M83 Y102 L106 | W32-L104 HydrophobicContact CD2-CD1 3.77Å; W32-L104 HydrophobicContact CD2-CD2 4.35Å; W32-L104 HydrophobicContact CE3-CD1 3.53Å; W32-L104 HydrophobicContact CG-CD1 4.4Å; W32-L104 HydrophobicContact CG-CD2 4.29Å; W32-L104 HydrophobicContact CH2-CD1 4.22Å; W32-L104 HydrophobicContact CZ2-CD1 4.4Å; W32-L104 HydrophobicContact CZ3-CD1 3.78Å; V34-L104 HydrophobicContact CB-CD1 4.49Å; G80-L104 CarbonylContact C-O 3.48Å; G80-L104 WeakPolarHBondContact CA-O 3.4Å; F81-L104 PolarHBondContact N-O 2.77Å; F81-L104 PolarHBondContact O-N 2.9Å; F81-L104 VanDerWaalsContact O-N 3.07Å; M83-L104 HydrophobicContact CE-CB 4.05Å; M83-L104 HydrophobicContact CE-CD1 3.53Å; M83-L104 HydrophobicContact CE-CG 4.43Å; Y102-L104 PolarHBondContact O-N 3.23Å; L104-L106 HydrophobicContact CD2-CD2 3.83Å; L104-L106 HydrophobicContact CD2-CG 4.34Å |
| 105 | F | 95.6 | Very high | 93.1 | Very high | 62 Ų | 62 | 66.4 Ų | 66.4 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | trans | -87.9 | 156.2 | 174.9 | 61 | -91.6 | 0 | 0 | 0 | 111.4 | H15 V114 H116 | H15-F105 AromaticContact CE1-CD1 3.83Å; H15-F105 AromaticContact CE1-CE1 3.75Å; H15-F105 PolarHBondContact NE2-O 2.69Å; H15-F105 VanDerWaalsContact NE2-O 3.1Å; F105-V114 HydrophobicContact CD2-CG1 4.25Å; F105-V114 HydrophobicContact CD2-CG2 4.04Å; F105-V114 HydrophobicContact CE2-CB 4.34Å; F105-V114 HydrophobicContact CE2-CG1 3.51Å; F105-V114 HydrophobicContact CE2-CG2 3.83Å; F105-V114 HydrophobicContact CZ-CG1 3.71Å; F105-H116 HydrophobicContact CE1-CB 4.18Å; F105-H116 AromaticContact CE1-CE1 3.99Å; F105-H116 AromaticContact CE1-CG 3.77Å; F105-H116 AromaticContact CE1-ND1 3.77Å; F105-H116 HydrophobicContact CZ-CB 3.91Å; F105-H116 AromaticContact CZ-CG 3.83Å; F105-H116 AromaticContact CZ-ND1 3.71Å | ||
| 106 | L | 95.1 | Very high | 93.4 | Very high | 31 Ų | 31 | 64.2 Ų | 64.2 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | trans | -123 | 134.2 | 175.8 | -59.3 | 179 | 0 | 0 | 0 | 109 | A17 H30 W32 L104 | A17-L106 HydrophobicContact CB-CD2 3.6Å; H30-L106 HydrophobicContact CB-CD1 4.02Å; H30-L106 HydrophobicContact CB-CD2 4.08Å; W32-L106 HydrophobicContact CB-CD2 4.48Å; L104-L106 HydrophobicContact CD2-CD2 3.83Å; L104-L106 HydrophobicContact CD2-CG 4.34Å | ||
| 107 | N | 90.9 | Very high | 93.5 | Very high | 47 Ų | 47 | 61 Ų | 61 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 141.5 | 179.9 | -84.2 | 2.7 | 0 | 0 | 0 | 111.4 | H30 N111 P112 V114 | H30-N107 PolarHBondContact CE1-O 3.37Å; H30-N107 PolarHBondContact NE2-O 3.41Å; N107-N111 HydrophobicContact CB-CB 4Å; N107-P112 PolarHBondContact ND2-O 3.36Å; N107-V114 HydrophobicContact CB-CG2 3.94Å; N107-V114 VanDerWaalsContact CG-CG2 3.43Å |
| 108 | L | 88.5 | Confident | 93.4 | Very high | 139 Ų | 139 | 60.7 Ų | 60.7 | 73% | 0.728 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 157.9 | 175 | -64.8 | 176.5 | 0 | 0 | 0 | 111.5 | N111 | L108-N111 VanDerWaalsContact O-CB 3.29Å; L108-N111 WeakPolarHBondContact O-CB 3.44Å; L108-N111 PolarHBondContact O-N 2.93Å; L108-N111 VanDerWaalsContact O-N 3.13Å; L108-N111 PolarHBondContact O-ND2 3.22Å |
| 109 | E | 86.7 | Confident | 93.3 | Very high | 166 Ų | 166 | 59.7 Ų | 59.7 | 78% | 0.776 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 141.9 | 176.6 | -172.9 | 161.2 | -151 | 0 | 0 | 112.4 | L19 N111 | L19-E109 HydrophobicContact CD2-CB 3.67Å; L19-E109 HydrophobicContact CD2-CG 3.61Å; E109-N111 VanDerWaalsContact C-N 3.34Å |
| 110 | G | 85.6 | Confident | 93.1 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 84% | 0.835 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -20.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 111 | N | 88.6 | Confident | 92.9 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -84.7 | 154.1 | 176.5 | -64.4 | -83.3 | 0 | 0 | 0 | 111.9 | N107 L108 E109 | N107-N111 HydrophobicContact CB-CB 4Å; L108-N111 VanDerWaalsContact O-CB 3.29Å; L108-N111 WeakPolarHBondContact O-CB 3.44Å; L108-N111 PolarHBondContact O-N 2.93Å; L108-N111 VanDerWaalsContact O-N 3.13Å; L108-N111 PolarHBondContact O-ND2 3.22Å; E109-N111 VanDerWaalsContact C-N 3.34Å |
| 112 | P | 90.3 | Very high | 92.8 | Very high | 90 Ų | 90 | 54.3 Ų | 54.3 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 157.9 | 173.5 | 27.8 | -35.8 | 0 | 0 | 0 | 112 | N107 | N107-P112 PolarHBondContact ND2-O 3.36Š|
| 113 | P | 91.9 | Very high | 92.5 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -52 | 141.5 | 172.1 | -30 | 37.7 | 0 | 0 | 0 | 113.5 | A17 Q18 N115 | A17-P113 CarbonylContact O-C 3.58Å; A17-P113 WeakPolarHBondContact O-CA 3.47Å; Q18-P113 HydrophobicContact CG-CB 3.92Å; Q18-P113 HydrophobicContact CG-CG 4.22Å; P113-N115 PolarHBondContact O-N 3.16Å |
| 114 | V | 94.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 132.2 | 171 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | H15 R16 A17 F105 N107 H116 | H15-V114 WeakPolarHBondContact NE2-CG1 3.23Å; R16-V114 WeakPolarHBondContact CA-O 3.08Å; A17-V114 HydrophobicContact CB-CB 3.94Å; A17-V114 HydrophobicContact CB-CG2 3.99Å; A17-V114 PolarHBondContact N-O 3.05Å; A17-V114 VanDerWaalsContact N-O 3.1Å; A17-V114 PolarHBondContact O-N 3.11Å; F105-V114 HydrophobicContact CD2-CG1 4.25Å; F105-V114 HydrophobicContact CD2-CG2 4.04Å; F105-V114 HydrophobicContact CE2-CB 4.34Å; F105-V114 HydrophobicContact CE2-CG1 3.51Å; F105-V114 HydrophobicContact CE2-CG2 3.83Å; F105-V114 HydrophobicContact CZ-CG1 3.71Å; N107-V114 HydrophobicContact CB-CG2 3.94Å; N107-V114 VanDerWaalsContact CG-CG2 3.43Å; V114-H116 HydrophobicContact CG1-CB 3.88Å |
| 115 | N | 94.9 | Very high | 92 | Very high | 45 Ų | 45 | 60 Ų | 60 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 96.8 | 162.4 | 178.2 | 58.6 | 0 | 0 | 0 | 105.8 | R16 P113 T558 N559 | R16-N115 HydrophobicContact CG-CB 4.32Å; R16-N115 WeakPolarHBondContact CG-OD1 3.35Å; R16-N115 PolarHBondContact NE-OD1 3.49Å; R16-N115 PolarHBondContact NH2-OD1 3.02Å; P113-N115 PolarHBondContact O-N 3.16Å; N115-T558 WeakPolarHBondContact O-CA 3.45Å; N115-N559 PolarHBondContact ND2-OD1 3.26Å |
| 116 | H | 94.6 | Very high | 91.6 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.5 | -170.8 | -176.5 | 89 | 0 | 0 | 0 | 109.6 | G14 H15 F105 V114 N556 | G14-H116 CarbonylContact C-O 3.55Å; G14-H116 WeakPolarHBondContact CA-O 3.17Å; H15-H116 PolarHBondContact N-O 2.98Å; H15-H116 PolarHBondContact O-N 2.96Å; F105-H116 HydrophobicContact CE1-CB 4.18Å; F105-H116 AromaticContact CE1-CE1 3.99Å; F105-H116 AromaticContact CE1-CG 3.77Å; F105-H116 AromaticContact CE1-ND1 3.77Å; F105-H116 HydrophobicContact CZ-CB 3.91Å; F105-H116 AromaticContact CZ-CG 3.83Å; F105-H116 AromaticContact CZ-ND1 3.71Å; V114-H116 HydrophobicContact CG1-CB 3.88Å; H116-N556 VanDerWaalsContact CE1-CB 3.44Å; H116-N556 WeakPolarHBondContact CE1-CB 3.38Å |
| 117 | L | 94.7 | Very high | 91.4 | Very high | 35 Ų | 35 | 60.4 Ų | 60.4 | 18% | 0.183 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 113.8 | -174.8 | -171.2 | 71.4 | 0 | 0 | 0 | 109.9 | E12 F35 N556 V557 | E12-L117 HydrophobicContact CB-CD1 4.01Å; E12-L117 HydrophobicContact CG-CD1 4.48Å; F35-L117 HydrophobicContact CE2-CD1 3.74Å; F35-L117 HydrophobicContact CZ-CD1 3.74Å; L117-N556 CarbonylContact O-C 3.55Å; L117-N556 VanDerWaalsContact O-CA 3.25Å; L117-N556 WeakPolarHBondContact O-CA 3.39Å; L117-V557 PolarHBondContact N-O 2.88Å; L117-V557 PolarHBondContact O-N 2.68Å |
| 118 | R | 93.8 | Very high | 91.4 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 25% | 0.253 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121 | 175.8 | 175.7 | 167.1 | 168.3 | 174 | 0.6 | 109.9 | E12 L13 N101 Y102 E120 N556 | E12-R118 WeakPolarHBondContact CA-O 3.38Å; L13-R118 PolarHBondContact N-O 3.09Å; L13-R118 WeakPolarHBondContact O-CA 3.19Å; L13-R118 WeakPolarHBondContact O-CB 3.31Å; L13-R118 PolarHBondContact O-N 3.08Å; N101-R118 PolarHBondContact O-NH1 3.48Å; Y102-R118 HydrophobicContact CE2-CB 4.16Å; R118-E120 HydrophobicContact CG-CG 4.32Å; R118-E120 IonicContact CZ-OE1 3.83Å; R118-E120 IonicContact NE-OE1 2.76Å; R118-E120 PolarHBondContact NE-OE1 2.63Å; R118-E120 IonicContact NH2-OE1 3.7Å; R118-E120 PolarHBondContact NH2-OE1 2.9Å; R118-N556 WeakPolarHBondContact CB-OD1 3.12Å; R118-N556 WeakPolarHBondContact CD-OD1 3.47Å; R118-N556 WeakPolarHBondContact CG-OD1 3.46Å |
| 119 | C | 93.5 | Very high | 91.5 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 9% | 0.088 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 143.7 | 170.7 | -70 | 0 | 0 | 0 | 0 | 110 | G553 F555 | C119-G553 CarbonylContact C-O 3.46Å; C119-G553 VanDerWaalsContact C-O 3.27Å; C119-F555 HydrophobicContact CB-CD1 4.07Å; C119-F555 HydrophobicContact CB-CD2 4.31Å; C119-F555 HydrophobicContact CB-CE1 3.69Å; C119-F555 HydrophobicContact CB-CE2 3.98Å; C119-F555 HydrophobicContact CB-CG 4.36Å; C119-F555 HydrophobicContact CB-CZ 3.66Å; C119-F555 PolarHBondContact N-O 3.23Å; C119-F555 VanDerWaalsContact SG-CE2 3.55Å; C119-F555 WeakPolarHBondContact SG-CZ 2.89Å |
| 120 | E | 92.8 | Very high | 91.7 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.065 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 122 | 176.9 | -77.8 | -66.5 | 174.2 | 0 | 0 | 111 | K10 L11 L13 F100 R118 G553 H554 | K10-E120 CarbonylContact C-O 3.51Å; K10-E120 WeakPolarHBondContact CA-O 3.39Å; L11-E120 PolarHBondContact N-O 2.85Å; L11-E120 PolarHBondContact O-N 2.85Å; L13-E120 HydrophobicContact CD1-CB 4.01Å; L13-E120 HydrophobicContact CD1-CG 3.7Å; F100-E120 HydrophobicContact CD1-CG 3.83Å; F100-E120 HydrophobicContact CE1-CB 3.73Å; F100-E120 HydrophobicContact CE1-CG 3.46Å; F100-E120 VanDerWaalsContact CE1-CG 3.46Å; F100-E120 HydrophobicContact CZ-CB 3.99Å; F100-E120 HydrophobicContact CZ-CG 4.12Å; R118-E120 HydrophobicContact CG-CG 4.32Å; R118-E120 IonicContact CZ-OE1 3.83Å; R118-E120 IonicContact NE-OE1 2.76Å; R118-E120 PolarHBondContact NE-OE1 2.63Å; R118-E120 IonicContact NH2-OE1 3.7Å; R118-E120 PolarHBondContact NH2-OE1 2.9Å; E120-G553 WeakPolarHBondContact CA-O 3.31Å; E120-G553 PolarHBondContact N-O 3.25Å; E120-H554 IonicContact OE2-CE1 2.7Å; E120-H554 PolarHBondContact OE2-CE1 2.96Å; E120-H554 VanDerWaalsContact OE2-CE1 3.3Å; E120-H554 IonicContact OE2-ND1 2.68Å; E120-H554 PolarHBondContact OE2-ND1 3.05Å; E120-H554 VanDerWaalsContact OE2-ND1 3.1Å |
| 121 | K | 93.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 54.6 Ų | 54.6 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 106.2 | 179.3 | -171 | 180 | 71.1 | -172.6 | 0 | 111.5 | E551 T552 G553 | K121-E551 PolarHBondContact NZ-O 3.42Å; K121-T552 WeakPolarHBondContact CB-O 3.48Å; K121-T552 WeakPolarHBondContact CD-O 3.18Å; K121-T552 WeakPolarHBondContact CE-O 3.19Å; K121-T552 PolarHBondContact NZ-O 3Å; K121-T552 VanDerWaalsContact NZ-O 3.11Å; K121-G553 PolarHBondContact N-O 2.86Å |
| 122 | L | 92.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 128.7 | 175.3 | -63.2 | 177.4 | 0 | 0 | 0 | 111.1 | Q8 V9 L11 F89 V98 F100 F124 | Q8-L122 CarbonylContact C-O 3.47Å; Q8-L122 WeakPolarHBondContact CA-O 3.34Å; V9-L122 HydrophobicContact CG2-CB 3.85Å; V9-L122 HydrophobicContact CG2-CD1 4.43Å; V9-L122 PolarHBondContact N-O 3.12Å; V9-L122 PolarHBondContact O-N 3.05Å; L11-L122 HydrophobicContact CD1-CD1 3.59Å; L11-L122 HydrophobicContact CD1-CG 4.47Å; L11-L122 HydrophobicContact CG-CD1 4.1Å; F89-L122 HydrophobicContact CE1-CD1 3.92Å; F89-L122 HydrophobicContact CZ-CD1 3.69Å; V98-L122 HydrophobicContact CB-CD2 4.45Å; V98-L122 HydrophobicContact CG1-CD1 4.27Å; V98-L122 HydrophobicContact CG1-CD2 4.34Å; V98-L122 HydrophobicContact CG2-CD2 4.14Å; F100-L122 HydrophobicContact CE1-CD2 4.46Å; F100-L122 HydrophobicContact CZ-CD2 4.01Å; F100-L122 HydrophobicContact CZ-CG 4.5Å; L122-F124 HydrophobicContact CB-CE2 3.93Å; L122-F124 HydrophobicContact CB-CZ 4.38Å; L122-F124 HydrophobicContact CD1-CE2 4.43Å; L122-F124 HydrophobicContact CD1-CZ 4.32Å |
| 123 | T | 92.1 | Very high | 92.3 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.9 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | T6 Q8 | T6-T123 HydrophobicContact CG2-CG2 3.39Å; Q8-T123 HydrophobicContact CG-CG2 4.12Å |
| 124 | F | 91.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 6% | 0.057 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115.7 | 176.7 | -63.3 | -82.5 | 0 | 0 | 0 | 110.2 | T6 V7 V9 F89 P95 L122 P127 F131 L135 | T6-F124 WeakPolarHBondContact CA-O 3.42Å; V7-F124 PolarHBondContact N-O 2.87Å; V7-F124 PolarHBondContact O-N 2.89Å; V9-F124 HydrophobicContact CG2-CD2 4.41Å; V9-F124 HydrophobicContact CG2-CE2 3.83Å; F89-F124 HydrophobicContact CD1-CZ 4.4Å; F89-F124 HydrophobicContact CD2-CE1 4.04Å; F89-F124 HydrophobicContact CD2-CZ 4.13Å; F89-F124 HydrophobicContact CE1-CZ 4.08Å; F89-F124 AromaticContact CE2-CE1 3.85Å; F89-F124 HydrophobicContact CE2-CE1 3.85Å; F89-F124 AromaticContact CE2-CZ 3.78Å; F89-F124 HydrophobicContact CE2-CZ 3.78Å; F89-F124 HydrophobicContact CG-CZ 4.43Å; F89-F124 HydrophobicContact CZ-CE1 4.3Å; F89-F124 AromaticContact CZ-CZ 3.75Å; F89-F124 HydrophobicContact CZ-CZ 3.75Å; P95-F124 HydrophobicContact CG-CD1 4.32Å; P95-F124 HydrophobicContact CG-CE1 4.01Å; L122-F124 HydrophobicContact CB-CE2 3.93Å; L122-F124 HydrophobicContact CB-CZ 4.38Å; L122-F124 HydrophobicContact CD1-CE2 4.43Å; L122-F124 HydrophobicContact CD1-CZ 4.32Å; F124-P127 HydrophobicContact CB-CB 4.28Å; F124-P127 HydrophobicContact CB-CG 4.2Å; F124-F131 AromaticContact CD1-CE1 3.67Å; F124-F131 HydrophobicContact CD1-CE1 3.67Å; F124-F131 HydrophobicContact CD1-CZ 4.42Å; F124-F131 HydrophobicContact CD2-CE1 4.42Å; F124-F131 AromaticContact CE1-CE1 3.66Å; F124-F131 HydrophobicContact CE1-CE1 3.66Å; F124-F131 AromaticContact CE1-CZ 3.97Å; F124-F131 HydrophobicContact CE1-CZ 3.97Å; F124-F131 HydrophobicContact CE2-CE1 4.42Å; F124-F131 HydrophobicContact CE2-CZ 4.47Å; F124-F131 HydrophobicContact CG-CE1 4.05Å; F124-F131 HydrophobicContact CZ-CE1 4.05Å; F124-F131 AromaticContact CZ-CZ 4Å; F124-F131 HydrophobicContact CZ-CZ 4Å; F124-L135 HydrophobicContact CB-CD1 4.01Å; F124-L135 HydrophobicContact CD2-CD1 3.65Å; F124-L135 HydrophobicContact CD2-CD2 3.76Å; F124-L135 HydrophobicContact CD2-CG 4.39Å; F124-L135 HydrophobicContact CE2-CD1 4.31Å; F124-L135 HydrophobicContact CE2-CD2 3.6Å; F124-L135 HydrophobicContact CG-CD1 3.93Å; F124-L135 HydrophobicContact CZ-CD2 4.38Å |
| 125 | N | 91.1 | Very high | 92.3 | Very high | 121 Ų | 121 | 56.5 Ų | 56.5 | 65% | 0.647 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127 | 178.8 | -66.6 | -29.4 | 0 | 0 | 0 | 110.6 | T6 P127 | T6-N125 WeakPolarHBondContact CG2-OD1 3.39Å; T6-N125 PolarHBondContact OG1-OD1 2.83Å; N125-P127 VanDerWaalsContact C-CD 3.5Å |
| 126 | N | 88 | Confident | 92.1 | Very high | 86 Ų | 86 | 57.8 Ų | 57.8 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 46.4 | 47.7 | -178.1 | -156.1 | 41 | 0 | 0 | 0 | 116 | C5 | C5-N126 WeakPolarHBondContact O-CA 3.46Å; C5-N126 PolarHBondContact O-N 2.85Å |
| 127 | P | 89.7 | Confident | 92 | Very high | 15 Ų | 15 | 64 Ų | 64 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | trans | -66.3 | 146.1 | -177.3 | 28.4 | -33.1 | 0 | 0 | 0 | 112 | C5 V7 F124 N125 F131 R132 L135 | C5-P127 VanDerWaalsContact O-CD 3.24Å; C5-P127 WeakPolarHBondContact O-CD 3.35Å; V7-P127 HydrophobicContact CB-CG 4.37Å; V7-P127 HydrophobicContact CG2-CG 3.92Å; F124-P127 HydrophobicContact CB-CB 4.28Å; F124-P127 HydrophobicContact CB-CG 4.2Å; N125-P127 VanDerWaalsContact C-CD 3.5Å; P127-F131 HydrophobicContact CB-CD1 3.84Å; P127-R132 HydrophobicContact CG-CB 4.23Å; P127-L135 HydrophobicContact CB-CD1 4.28Å; P127-L135 HydrophobicContact CG-CD1 4.18Å | ||
| 128 | T | 90.9 | Very high | 91.7 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 18% | 0.184 | 30% | 0.295 | C | S | . | . | trans | -45.8 | 149 | 178.1 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | E93 E130 F131 R132 | E93-T128 HydrophobicContact CG-CG2 4.07Å; E93-T128 WeakPolarHBondContact OE1-CG2 3.26Å; E93-T128 WeakPolarHBondContact OE2-CG2 3.31Å; T128-E130 PolarHBondContact O-N 2.81Å; T128-F131 PolarHBondContact O-N 3.09Å; T128-F131 VanDerWaalsContact OG1-CB 3.23Å; T128-F131 WeakPolarHBondContact OG1-CB 3.48Å; T128-F131 PolarHBondContact OG1-N 2.93Å; T128-F131 VanDerWaalsContact OG1-N 3.08Å; T128-R132 WeakPolarHBondContact O-CB 3.47Å; T128-R132 PolarHBondContact O-N 2.97Å | ||
| 129 | K | 89.9 | Confident | 91.5 | Very high | 183 Ų | 183 | 62 Ų | 62 | 80% | 0.796 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -54.8 | -27.8 | 178.2 | -65.1 | 178.3 | -177.6 | 174 | 0 | 113.3 | K133 | K129-K133 VanDerWaalsContact O-CG 3.31Å; K129-K133 WeakPolarHBondContact O-CG 3.19Å |
| 130 | E | 92 | Very high | 91.3 | Very high | 98 Ų | 98 | 61.8 Ų | 61.8 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.6 | -51.3 | 171.5 | -68 | 178.1 | -154.4 | 0 | 0 | 112.4 | K92 T128 K133 K134 | K92-E130 VanDerWaalsContact CE-OE2 3.32Å; K92-E130 WeakPolarHBondContact CE-OE2 3.32Å; K92-E130 IonicContact NZ-OE1 2.74Å; K92-E130 PolarHBondContact NZ-OE1 2.85Å; K92-E130 IonicContact NZ-OE2 2.77Å; K92-E130 PolarHBondContact NZ-OE2 2.93Å; T128-E130 PolarHBondContact O-N 2.81Å; E130-K133 PolarHBondContact O-N 2.9Å; E130-K134 PolarHBondContact O-N 2.88Å |
| 131 | F | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.9 | -38.5 | -175.5 | -170.4 | -124.8 | 0 | 0 | 0 | 111.9 | F47 F89 N91 F124 P127 T128 K133 K134 L135 | F47-F131 HydrophobicContact CB-CE2 3.9Å; F89-F131 HydrophobicContact CB-CE2 3.94Å; F89-F131 HydrophobicContact CB-CZ 3.84Å; F89-F131 HydrophobicContact CG-CZ 4.15Å; N91-F131 HydrophobicContact CB-CD1 4.07Å; N91-F131 HydrophobicContact CB-CD2 3.8Å; N91-F131 HydrophobicContact CB-CE1 4.09Å; N91-F131 HydrophobicContact CB-CE2 3.84Å; N91-F131 HydrophobicContact CB-CG 3.94Å; N91-F131 HydrophobicContact CB-CZ 4Å; F124-F131 AromaticContact CD1-CE1 3.67Å; F124-F131 HydrophobicContact CD1-CE1 3.67Å; F124-F131 HydrophobicContact CD1-CZ 4.42Å; F124-F131 HydrophobicContact CD2-CE1 4.42Å; F124-F131 AromaticContact CE1-CE1 3.66Å; F124-F131 HydrophobicContact CE1-CE1 3.66Å; F124-F131 AromaticContact CE1-CZ 3.97Å; F124-F131 HydrophobicContact CE1-CZ 3.97Å; F124-F131 HydrophobicContact CE2-CE1 4.42Å; F124-F131 HydrophobicContact CE2-CZ 4.47Å; F124-F131 HydrophobicContact CG-CE1 4.05Å; F124-F131 HydrophobicContact CZ-CE1 4.05Å; F124-F131 AromaticContact CZ-CZ 4Å; F124-F131 HydrophobicContact CZ-CZ 4Å; P127-F131 HydrophobicContact CB-CD1 3.84Å; T128-F131 PolarHBondContact O-N 3.09Å; T128-F131 VanDerWaalsContact OG1-CB 3.23Å; T128-F131 WeakPolarHBondContact OG1-CB 3.48Å; T128-F131 PolarHBondContact OG1-N 2.93Å; T128-F131 VanDerWaalsContact OG1-N 3.08Å; F131-K133 VanDerWaalsContact C-N 3.32Å; F131-K133 PolarHBondContact O-N 3.07Å; F131-K134 HydrophobicContact CD2-CD 4.42Å; F131-K134 WeakPolarHBondContact O-CA 3.4Å; F131-K134 WeakPolarHBondContact O-CB 3.48Å; F131-K134 PolarHBondContact O-N 3.45Å; F131-L135 HydrophobicContact CD1-CD1 3.84Å; F131-L135 HydrophobicContact CD1-CG 4.32Å; F131-L135 HydrophobicContact CE1-CD1 3.73Å; F131-L135 HydrophobicContact CE1-CD2 4.17Å; F131-L135 HydrophobicContact CE1-CG 4.1Å; F131-L135 HydrophobicContact CE2-CD2 4.39Å; F131-L135 HydrophobicContact CE2-CG 4.46Å; F131-L135 HydrophobicContact CG-CD1 4.48Å; F131-L135 HydrophobicContact CZ-CD1 4.28Å; F131-L135 HydrophobicContact CZ-CD2 3.9Å; F131-L135 HydrophobicContact CZ-CG 4.16Å; F131-L135 WeakPolarHBondContact O-CG 3.38Å; F131-L135 PolarHBondContact O-N 2.77Å |
| 132 | R | 91.4 | Very high | 90.9 | Very high | 89 Ų | 89 | 67.5 Ų | 67.5 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -50 | -50.1 | 168.2 | -179.8 | 176.7 | 176.5 | 173.9 | -3.4 | 111.5 | C5 V7 P127 T128 K134 L135 I136 L142 | C5-R132 VanDerWaalsContact SG-CD 3.54Å; C5-R132 PolarHBondContact SG-NE 3.34Å; C5-R132 VanDerWaalsContact SG-NE 3.44Å; C5-R132 PolarHBondContact SG-NH1 2.95Å; V7-R132 HydrophobicContact CG2-CG 4.17Å; P127-R132 HydrophobicContact CG-CB 4.23Å; T128-R132 WeakPolarHBondContact O-CB 3.47Å; T128-R132 PolarHBondContact O-N 2.97Å; R132-K134 VanDerWaalsContact C-N 3.26Å; R132-K134 PolarHBondContact O-N 3.34Å; R132-L135 PolarHBondContact O-N 2.85Å; R132-I136 HydrophobicContact CG-CG1 4.33Å; R132-I136 WeakPolarHBondContact O-CG1 3.47Å; R132-I136 PolarHBondContact O-N 2.87Å; R132-L142 VanDerWaalsContact NH2-CD2 3.3Å |
| 133 | K | 92.1 | Very high | 90.5 | Very high | 156 Ų | 156 | 69 Ų | 69 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.1 | -32.7 | 178.5 | -75.6 | 176.1 | 179.3 | -174.5 | 0 | 112.8 | K129 E130 F131 K137 | K129-K133 VanDerWaalsContact O-CG 3.31Å; K129-K133 WeakPolarHBondContact O-CG 3.19Å; E130-K133 PolarHBondContact O-N 2.9Å; F131-K133 VanDerWaalsContact C-N 3.32Å; F131-K133 PolarHBondContact O-N 3.07Å; K133-K137 WeakPolarHBondContact O-CB 3.47Å; K133-K137 WeakPolarHBondContact O-CG 3.32Å; K133-K137 PolarHBondContact O-N 2.71Å |
| 134 | K | 93.3 | Very high | 89.8 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 27% | 0.274 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.6 | -42.9 | 175.6 | -65 | 173.6 | -168.8 | 177.8 | 0 | 112.2 | H46 F47 K90 E130 F131 R132 K137 A138 | H46-K134 WeakPolarHBondContact O-CB 3.31Å; H46-K134 WeakPolarHBondContact O-CD 3.46Å; H46-K134 WeakPolarHBondContact O-CG 3.45Å; F47-K134 HydrophobicContact CB-CB 4.01Å; K90-K134 HydrophobicContact CB-CD 4.08Å; K90-K134 PolarHBondContact O-NZ 3.11Å; E130-K134 PolarHBondContact O-N 2.88Å; F131-K134 HydrophobicContact CD2-CD 4.42Å; F131-K134 WeakPolarHBondContact O-CA 3.4Å; F131-K134 WeakPolarHBondContact O-CB 3.48Å; F131-K134 PolarHBondContact O-N 3.45Å; R132-K134 VanDerWaalsContact C-N 3.26Å; R132-K134 PolarHBondContact O-N 3.34Å; K134-K137 PolarHBondContact O-N 3Å; K134-A138 PolarHBondContact O-N 2.96Å |
| 135 | L | 93.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 177.6 | -66.8 | 168.8 | 0 | 0 | 0 | 111.6 | V7 V9 F47 F124 P127 F131 R132 K137 A138 G140 | V7-L135 HydrophobicContact CB-CD1 4.04Å; V7-L135 HydrophobicContact CG1-CB 3.7Å; V7-L135 HydrophobicContact CG1-CD1 4.02Å; V7-L135 HydrophobicContact CG1-CG 4.48Å; V9-L135 HydrophobicContact CG1-CB 4.16Å; V9-L135 HydrophobicContact CG1-CD2 3.79Å; V9-L135 HydrophobicContact CG2-CD2 4.19Å; F47-L135 HydrophobicContact CB-CD2 3.96Å; F47-L135 HydrophobicContact CD1-CD2 4.2Å; F47-L135 HydrophobicContact CD2-CD2 3.78Å; F47-L135 HydrophobicContact CE2-CD2 4.28Å; F47-L135 HydrophobicContact CG-CD2 3.74Å; F124-L135 HydrophobicContact CB-CD1 4.01Å; F124-L135 HydrophobicContact CD2-CD1 3.65Å; F124-L135 HydrophobicContact CD2-CD2 3.76Å; F124-L135 HydrophobicContact CD2-CG 4.39Å; F124-L135 HydrophobicContact CE2-CD1 4.31Å; F124-L135 HydrophobicContact CE2-CD2 3.6Å; F124-L135 HydrophobicContact CG-CD1 3.93Å; F124-L135 HydrophobicContact CZ-CD2 4.38Å; P127-L135 HydrophobicContact CB-CD1 4.28Å; P127-L135 HydrophobicContact CG-CD1 4.18Å; F131-L135 HydrophobicContact CD1-CD1 3.84Å; F131-L135 HydrophobicContact CD1-CG 4.32Å; F131-L135 HydrophobicContact CE1-CD1 3.73Å; F131-L135 HydrophobicContact CE1-CD2 4.17Å; F131-L135 HydrophobicContact CE1-CG 4.1Å; F131-L135 HydrophobicContact CE2-CD2 4.39Å; F131-L135 HydrophobicContact CE2-CG 4.46Å; F131-L135 HydrophobicContact CG-CD1 4.48Å; F131-L135 HydrophobicContact CZ-CD1 4.28Å; F131-L135 HydrophobicContact CZ-CD2 3.9Å; F131-L135 HydrophobicContact CZ-CG 4.16Å; F131-L135 WeakPolarHBondContact O-CG 3.38Å; F131-L135 PolarHBondContact O-N 2.77Å; R132-L135 PolarHBondContact O-N 2.85Å; L135-K137 VanDerWaalsContact C-N 3.3Å; L135-K137 PolarHBondContact O-N 2.64Å; L135-A138 PolarHBondContact O-N 3.28Å; L135-G140 WeakPolarHBondContact O-CA 3.48Å; L135-G140 PolarHBondContact O-N 3.25Å |
| 136 | I | 91.8 | Very high | 86.7 | Confident | 71 Ų | 71 | 76.8 Ų | 76.8 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 178.8 | -58 | -58.5 | 0 | 0 | 0 | 111.3 | V7 R132 A138 G139 G140 L142 | V7-I136 HydrophobicContact CG1-CD1 3.78Å; V7-I136 HydrophobicContact CG2-CD1 4.31Å; R132-I136 HydrophobicContact CG-CG1 4.33Å; R132-I136 WeakPolarHBondContact O-CG1 3.47Å; R132-I136 PolarHBondContact O-N 2.87Å; I136-A138 PolarHBondContact O-N 3.12Å; I136-G139 PolarHBondContact O-N 3Å; I136-G139 VanDerWaalsContact O-N 3.16Å; I136-G140 WeakPolarHBondContact CD1-O 3.41Å; I136-L142 HydrophobicContact CD1-CB 4.18Å |
| 137 | K | 90.8 | Very high | 85 | Confident | 152 Ų | 152 | 76.3 Ų | 76.3 | 66% | 0.661 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.4 | -24.4 | 174.8 | -85.6 | -169.1 | 170.3 | -155.3 | 0 | 114.4 | H46 K133 K134 L135 G139 | H46-K137 HydrophobicContact CB-CB 4.41Å; K133-K137 WeakPolarHBondContact O-CB 3.47Å; K133-K137 WeakPolarHBondContact O-CG 3.32Å; K133-K137 PolarHBondContact O-N 2.71Å; K134-K137 PolarHBondContact O-N 3Å; L135-K137 VanDerWaalsContact C-N 3.3Å; L135-K137 PolarHBondContact O-N 2.64Å; K137-G139 VanDerWaalsContact C-N 3.31Å |
| 138 | A | 90.2 | Very high | 82.9 | Confident | 6 Ų | 6 | 79.3 Ų | 79.3 | 5% | 0.05 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 18.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | G42 D43 H46 F47 K134 L135 I136 | G42-A138 WeakPolarHBondContact CA-O 3.37Å; D43-A138 VanDerWaalsContact O-CB 3.25Å; D43-A138 WeakPolarHBondContact O-CB 3.34Å; H46-A138 HydrophobicContact CB-CB 4.31Å; F47-A138 HydrophobicContact CD1-CB 3.47Å; F47-A138 VanDerWaalsContact CD1-CB 3.47Å; F47-A138 HydrophobicContact CE1-CB 3.61Å; K134-A138 PolarHBondContact O-N 2.96Å; L135-A138 PolarHBondContact O-N 3.28Å; I136-A138 PolarHBondContact O-N 3.12Å |
| 139 | G | 88.1 | Confident | 80.6 | Confident | 54 Ų | 54 | 85.9 Ų | 85.9 | 56% | 0.557 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 15.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I136 K137 | I136-G139 PolarHBondContact O-N 3Å; I136-G139 VanDerWaalsContact O-N 3.16Å; K137-G139 VanDerWaalsContact C-N 3.31Å |
| 140 | G | 89.6 | Confident | 78.8 | Confident | 9 Ų | 9 | 80.3 Ų | 80.3 | 9% | 0.093 | 45% | 0.449 | C | S | . | . | trans | -65.4 | 134 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q8 L135 I136 | Q8-G140 CarbonylContact O-C 3.55Å; Q8-G140 VanDerWaalsContact O-CA 3.25Å; Q8-G140 WeakPolarHBondContact O-CA 3.17Å; L135-G140 WeakPolarHBondContact O-CA 3.48Å; L135-G140 PolarHBondContact O-N 3.25Å; I136-G140 WeakPolarHBondContact CD1-O 3.41Å | ||
| 141 | I | 89.1 | Confident | 76.6 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 59% | 0.585 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.2 | 179.8 | -59.3 | 176.2 | 0 | 0 | 0 | 109 | V7 Q8 V143 | V7-I141 WeakPolarHBondContact CA-O 3.44Å; Q8-I141 PolarHBondContact N-O 3.4Å; Q8-I141 PolarHBondContact O-N 2.71Å; I141-V143 HydrophobicContact CG2-CG2 4.45Å; I141-V143 PolarHBondContact O-N 3.04Å |
| 142 | L | 87.9 | Confident | 74.3 | Confident | 69 Ų | 69 | 88.5 Ų | 88.5 | 36% | 0.361 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 115 | 170.9 | 179.3 | 69.9 | 0 | 0 | 0 | 109.5 | C5 V7 R132 I136 V144 | C5-L142 WeakPolarHBondContact SG-CD1 3.19Å; V7-L142 HydrophobicContact CG2-CD1 4.23Å; R132-L142 VanDerWaalsContact NH2-CD2 3.3Å; I136-L142 HydrophobicContact CD1-CB 4.18Å; L142-V144 HydrophobicContact CD2-CG2 3.95Å; L142-V144 HydrophobicContact CG-CG2 3.98Å |
| 143 | V | 85.7 | Confident | 71.9 | Confident | 53 Ų | 53 | 95.1 Ų | 95.1 | 32% | 0.321 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 108 | 170 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | T6 Q8 I141 | T6-V143 HydrophobicContact CG2-CB 4.42Å; T6-V143 PolarHBondContact N-O 2.67Å; T6-V143 VanDerWaalsContact N-O 3.15Å; T6-V143 PolarHBondContact O-N 2.82Å; T6-V143 VanDerWaalsContact O-O 3.1Å; Q8-V143 HydrophobicContact CG-CG2 4.05Å; I141-V143 HydrophobicContact CG2-CG2 4.45Å; I141-V143 PolarHBondContact O-N 3.04Å |
| 144 | V | 75.9 | Confident | 69.7 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 56% | 0.558 | 53% | 0.531 | S | S | * | . | trans | -91 | 128.6 | 168.9 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | L142 E146 | L142-V144 HydrophobicContact CD2-CG2 3.95Å; L142-V144 HydrophobicContact CG-CG2 3.98Å; V144-E146 PolarHBondContact O-N 2.9Å | ||
| 145 | P | 65.4 | Low | 67 | Low | 63 Ų | 63 | 95.2 Ų | 95.2 | 41% | 0.409 | 55% | 0.551 | S | S | . | * | trans | -58.8 | 129.7 | 172.8 | -23.8 | 34.4 | 0 | 0 | 0 | 111.1 | G147 | P145-G147 PolarHBondContact O-N 3.07Š| ||
| 146 | E | 52.6 | Low | 64.9 | Low | 209 Ų | 209 | 100.5 Ų | 100.5 | 98% | 0.977 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -74.5 | 71.7 | -177.2 | -165.9 | 176.1 | 171.9 | 0 | 0 | 111.3 | V144 | V144-E146 PolarHBondContact O-N 2.9Š|
| 147 | G | 51.9 | Low | 62.3 | Low | 76 Ų | 76 | 105.1 Ų | 105.1 | 78% | 0.784 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -155.7 | 14.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P145 | P145-G147 PolarHBondContact O-N 3.07Š|
| 148 | A | 46.2 | Very low | 60.2 | Low | 77 Ų | 77 | 107.7 Ų | 107.7 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | trans | -135.2 | 5.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A150 | A148-A150 VanDerWaalsContact C-N 3.29Å; A148-A150 PolarHBondContact O-N 3.14Å | ||
| 149 | E | 43.2 | Very low | 58.3 | Low | 168 Ų | 168 | 113 Ų | 113 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | trans | -90.1 | 62.7 | 172.9 | -83.2 | -70 | 154 | 0 | 0 | 111.3 | ||||
| 150 | A | 50.3 | Low | 56.2 | Low | 66 Ų | 66 | 118.7 Ų | 118.7 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | trans | -114.1 | 129 | 148.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | A148 | A148-A150 VanDerWaalsContact C-N 3.29Å; A148-A150 PolarHBondContact O-N 3.14Å | ||
| 151 | M | 47.6 | Very low | 54.3 | Low | 172 Ų | 172 | 125.4 Ų | 125.4 | 85% | 0.847 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 67.4 | 110.3 | -170.1 | -44.3 | 150.6 | -85.5 | 0 | 0 | 112 | ||
| 152 | S | 44.1 | Very low | 52.2 | Low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | cis | -164.7 | 121.7 | 6.9 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 153 | R | 40.9 | Very low | 50 | Low | 228 Ų | 228 | 128.6 Ų | 128.6 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 130.6 | 158.3 | -75.3 | -171.9 | 176.2 | -162 | -0.2 | 109.7 | S155 | R153-S155 PolarHBondContact O-N 2.95Š|
| 154 | P | 45.6 | Very low | 48.3 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 123.2 | 150.3 | -10.8 | 27.2 | 0 | 0 | 0 | 107.6 | ||
| 155 | S | 36.9 | Very low | 46.7 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -63 | 142.9 | 171.8 | -60.6 | 0 | 0 | 0 | 0 | 110 | R153 D157 | R153-S155 PolarHBondContact O-N 2.95Å; S155-D157 PolarHBondContact O-N 2.79Å |
| 156 | P | 48.3 | Very low | 45.4 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 127.5 | 164.5 | -18.8 | 31.9 | 0 | 0 | 0 | 109.5 | Y158 | P156-Y158 PolarHBondContact O-N 3.36Š|
| 157 | D | 38.6 | Very low | 45 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -64 | 99.7 | 178.2 | -84.2 | -55.3 | 0 | 0 | 0 | 111.3 | S155 | S155-D157 PolarHBondContact O-N 2.79Š| ||
| 158 | Y | 47 | Very low | 44.4 | Very low | 207 Ų | 207 | 134.1 Ų | 134.1 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -87.8 | 123.7 | 157.6 | -92.1 | -89.5 | 0 | 0 | 0 | 108.6 | P156 M160 | P156-Y158 PolarHBondContact O-N 3.36Å; Y158-M160 PolarHBondContact O-N 3.4Å | ||
| 159 | P | 50.3 | Low | 44 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -66.5 | 108 | 178.8 | 26.5 | -33.3 | 0 | 0 | 0 | 110.1 | L161 | P159-L161 PolarHBondContact O-N 2.68Š| ||
| 160 | M | 43.9 | Very low | 43.8 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -62.8 | 120.4 | 174.7 | -73.7 | -99.9 | 63.6 | 0 | 0 | 110.1 | Y158 | Y158-M160 PolarHBondContact O-N 3.4Š| ||
| 161 | L | 49.3 | Very low | 43.1 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -64.7 | 142 | 171 | -71.3 | 171.5 | 0 | 0 | 0 | 110.1 | P159 T163 | P159-L161 PolarHBondContact O-N 2.68Å; L161-T163 PolarHBondContact O-N 3.41Å; L161-T163 VanDerWaalsContact O-N 3.1Å | ||
| 162 | P | 44.6 | Very low | 43.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -60.5 | 115.5 | 180 | -23.9 | 34.3 | 0 | 0 | 0 | 111.9 | I164 | P162-I164 PolarHBondContact O-N 3.32Š| ||
| 163 | T | 40.9 | Very low | 42.7 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 111.8 | 174.3 | -55.8 | 0 | 0 | 0 | 0 | 109.8 | L161 | L161-T163 PolarHBondContact O-N 3.41Å; L161-T163 VanDerWaalsContact O-N 3.1Å | ||
| 164 | I | 50.9 | Low | 42.5 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | -67.9 | 124.6 | 173.4 | -61.3 | 169.8 | 0 | 0 | 0 | 108.4 | P162 L166 | P162-I164 PolarHBondContact O-N 3.32Å; I164-L166 PolarHBondContact O-N 2.92Å; I164-L166 VanDerWaalsContact O-N 3.14Å | ||
| 165 | P | 42.9 | Very low | 42.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -73.8 | 106.4 | -179.9 | 28.7 | -33.4 | 0 | 0 | 0 | 111.1 | S167 | P165-S167 PolarHBondContact O-N 3.32Å; P165-S167 VanDerWaalsContact O-N 3.13Å | ||
| 166 | L | 37.8 | Very low | 41.9 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | -79.7 | 88.2 | 173 | -68.3 | 178.3 | 0 | 0 | 0 | 110.7 | I164 | I164-L166 PolarHBondContact O-N 2.92Å; I164-L166 VanDerWaalsContact O-N 3.14Å | ||
| 167 | S | 43 | Very low | 41 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -136.1 | 54.6 | 173.9 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | P165 | P165-S167 PolarHBondContact O-N 3.32Å; P165-S167 VanDerWaalsContact O-N 3.13Å | ||
| 168 | A | 40.3 | Very low | 40.6 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -152 | 156.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 169 | F | 38.4 | Very low | 39.9 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | 71.8 | 100.7 | 176.6 | -63 | -77.3 | 0 | 0 | 0 | 117.8 | ||||
| 170 | S | 37.9 | Very low | 38.9 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -68.2 | 162.6 | 167.1 | -45.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 171 | D | 36.1 | Very low | 38.3 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -41.6 | 141.8 | 163.9 | -172.4 | 37.6 | 0 | 0 | 0 | 113.1 | K173 | D171-K173 PolarHBondContact OD1-N 3.04Š| ||
| 172 | P | 47.5 | Very low | 37.3 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | -145.2 | 124.7 | 94.7 | 34 | -15.5 | 0 | 0 | 0 | 117.4 | |||||
| 173 | K | 35.3 | Very low | 36.4 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | 80.6 | 132.9 | 129.8 | -65.3 | 170 | -176.5 | 165.8 | 0 | 121.8 | D171 | D171-K173 PolarHBondContact OD1-N 3.04Š| |||
| 174 | K | 37 | Very low | 36.5 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | 80.3 | 128.3 | 136.3 | -84.9 | -172.8 | 173.9 | -172.9 | 0 | 121.2 | ||||
| 175 | T | 36.8 | Very low | 35.3 | Very low | 133 Ų | 133 | 135.7 Ų | 135.7 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | 67.2 | 154.2 | 144.6 | 52.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 176 | K | 32.8 | Very low | 34.8 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | cis | -176.6 | 133 | -26.7 | 176.8 | -157.4 | 169.9 | -173.2 | 0 | 106.5 | ||||
| 177 | T | 29.1 | Very low | 34.3 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | 59.7 | 166.5 | 172.4 | 34.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 178 | S | 31.2 | Very low | 33.6 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | cis | -159.6 | 131.8 | -12.3 | 33.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 179 | H | 32.4 | Very low | 33.1 | Very low | 174 Ų | 174 | 138.7 Ų | 138.7 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | 70.4 | 137.2 | 94.3 | -153.1 | -61.4 | 0 | 0 | 0 | 115.2 | |||||
| 180 | V | 29.1 | Very low | 32.6 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | 71.2 | 144.6 | 167.1 | 135.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 181 | S | 30.2 | Very low | 32.2 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -167.2 | 162.8 | -23.7 | -100.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 182 | K | 28.5 | Very low | 32 | Very low | 197 Ų | 197 | 130 Ų | 130 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | 40.5 | 120.7 | 146.6 | -71.7 | -171.4 | 169.8 | -174.6 | 0 | 121.2 | ||||
| 183 | E | 27.2 | Very low | 31.2 | Very low | 165 Ų | 165 | 130 Ų | 130 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | -2.2 | 158.6 | 117 | -108.5 | -131.4 | 108.6 | 0 | 0 | 119 | S185 | E183-S185 PolarHBondContact OE1-N 3.03Š| |||
| 184 | P | 41.8 | Very low | 31.1 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | cis | -147.5 | -179.9 | 29.3 | 42.3 | -22 | 0 | 0 | 0 | 118.9 | ||||
| 185 | S | 26.8 | Very low | 30.7 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | trans | 78.9 | 136.3 | 138.4 | 73.3 | 0 | 0 | 0 | 0 | 123.7 | E183 | E183-S185 PolarHBondContact OE1-N 3.03Š| ||
| 186 | K | 31.2 | Very low | 30.9 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | 101.9 | 140.5 | 127.2 | -111.5 | -179.1 | 164.9 | -128.3 | 0 | 121 | |||||
| 187 | E | 27.8 | Very low | 31 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 65.4 | 146.9 | 162.1 | -71.1 | 155.4 | -149.5 | 0 | 0 | 117.9 | ||||
| 188 | G | 28.6 | Very low | 31.4 | Very low | 67 Ų | 67 | 127.4 Ų | 127.4 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | 168.7 | 125.4 | -12.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 189 | S | 30 | Very low | 31.1 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | trans | 62.7 | 144.5 | 153 | -60.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 190 | G | 27.2 | Very low | 31.5 | Very low | 82 Ų | 82 | 132.4 Ų | 132.4 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 91.9 | 134 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 191 | G | 29.6 | Very low | 31.4 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | cis | 107.9 | 133.9 | 13.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 192 | S | 32.2 | Very low | 31.3 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | cis | -164.1 | -173.6 | 2.8 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 193 | S | 31.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 93.9 | 103.8 | 152.8 | 76.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 194 | K | 31.3 | Very low | 31.3 | Very low | 205 Ų | 205 | 132.3 Ų | 132.3 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | 62.1 | 87.2 | 116.8 | -62.9 | 177.6 | 179.4 | -178.2 | 0 | 122.8 | |||||
| 195 | G | 29.7 | Very low | 30.8 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 58.5 | -166.6 | 127.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 196 | P | 40 | Very low | 31 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | cis | -125.6 | 178.4 | -9.8 | 42.2 | -28.2 | 0 | 0 | 0 | 114.6 | ||||
| 197 | K | 34.8 | Very low | 30.9 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -77.3 | 158.7 | 158.6 | -77.1 | 177.9 | -179.5 | 173.9 | 0 | 108.7 | ||||
| 198 | P | 37.7 | Very low | 31.2 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | -162.6 | -169.5 | 60 | 46.5 | -23.9 | 0 | 0 | 0 | 119.6 | |||||
| 199 | H | 26.6 | Very low | 31.2 | Very low | 189 Ų | 189 | 139 Ų | 139 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | trans | 78.2 | 125.8 | 152.2 | -87.3 | -75.4 | 0 | 0 | 0 | 123.4 | ||||
| 200 | K | 39.3 | Very low | 31.7 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -89.1 | 136.8 | 171.3 | 152.2 | -162.1 | 178.8 | -176 | 0 | 110 | ||||
| 201 | L | 28.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | -170.5 | 129.1 | 158.3 | -106.8 | 176.6 | 0 | 0 | 0 | 112.4 | ||||
| 202 | T | 27.4 | Very low | 32.1 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 55.7 | 171 | 147.6 | 47.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 203 | K | 29.7 | Very low | 32.5 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 70% | 0.7 | 74% | 0.742 | S | S | * | * | cis | -170.6 | 134.3 | -37 | 173.3 | -174.8 | 166.5 | -167 | 0 | 109.8 | ||||
| 204 | E | 25.3 | Very low | 32.6 | Very low | 144 Ų | 144 | 152.7 Ų | 152.7 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | trans | 65.8 | 162.8 | 159.9 | -81.9 | -162.4 | 78.7 | 0 | 0 | 123.2 | ||||
| 205 | H | 31.7 | Very low | 32.7 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | 83.9 | 108.2 | 160.3 | -104.7 | -130.4 | 0 | 0 | 0 | 118.4 | ||||
| 206 | R | 31.5 | Very low | 32.9 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | 95.6 | 124 | 50.6 | 174.8 | 172.8 | -173.7 | 155.4 | 3.4 | 110 | |||||
| 207 | E | 29.1 | Very low | 32.5 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 50% | 0.5 | 74% | 0.743 | S | S | . | * | -151.4 | 158.6 | 58.5 | -87 | -145.4 | 128.7 | 0 | 0 | 117.4 | |||||
| 208 | R | 32.9 | Very low | 32.3 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | 49.6 | 144.7 | 139.8 | -65.2 | 177.9 | -158.8 | 176.4 | 23.6 | 121.1 | ||||
| 209 | S | 30.1 | Very low | 32.1 | Very low | 86 Ų | 86 | 147.4 Ų | 147.4 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | cis | -176.7 | 166.7 | -10.6 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 210 | R | 40.5 | Very low | 32.4 | Very low | 238 Ų | 238 | 148.5 Ų | 148.5 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | 76 | 152.4 | 165.1 | -59 | 175.4 | -170.7 | -161 | 0.5 | 116 | ||||
| 211 | K | 35.7 | Very low | 31.8 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | cis | -174.6 | 146.6 | -23.3 | -169.5 | -166.8 | -176.5 | -160.5 | 0 | 106.7 | ||||
| 212 | D | 29.5 | Very low | 32 | Very low | 124 Ų | 124 | 143 Ų | 143 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | cis | -166.4 | 167.6 | -26.2 | -83.8 | -8.7 | 0 | 0 | 0 | 104.5 | ||||
| 213 | S | 39.5 | Very low | 32.1 | Very low | 85 Ų | 85 | 143.7 Ų | 143.7 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | cis | -174.3 | 161.9 | -28.9 | -83.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 214 | E | 33.5 | Very low | 32.4 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | 68.8 | 154.8 | 149.4 | -80.6 | 174.8 | 120.8 | 0 | 0 | 121.1 | ||||
| 215 | S | 34.3 | Very low | 32.7 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | cis | -149.2 | 176.7 | -1.7 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 216 | K | 34.6 | Very low | 32.6 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 93% | 0.93 | 76% | 0.755 | S | S | * | * | trans | -110.1 | 154.2 | 172.6 | -90 | -174.9 | 175 | -179.9 | 0 | 111.8 | ||||
| 217 | G | 30.9 | Very low | 32.7 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 99.6 | 166.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 218 | S | 30.9 | Very low | 33 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | cis | -177.2 | 156.6 | -22.4 | 38.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 219 | S | 32.2 | Very low | 33.2 | Very low | 108 Ų | 108 | 141 Ų | 141 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 58.6 | 110.3 | 160.9 | 59.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 220 | K | 32.4 | Very low | 33.4 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | 77.4 | 134.3 | 116.8 | -163.9 | 179.2 | -179.1 | -175.1 | 0 | 121 | |||||
| 221 | G | 27.8 | Very low | 32.9 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | 98.9 | 147.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 222 | D | 31.7 | Very low | 32.8 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | cis | -159.3 | -176.2 | -12.6 | -146.3 | -107.9 | 0 | 0 | 0 | 109.7 | ||||
| 223 | D | 31.2 | Very low | 33 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | -64.5 | 151 | -168.8 | -85.4 | -108.6 | 0 | 0 | 0 | 117.6 | ||||
| 224 | R | 35.1 | Very low | 33.6 | Very low | 235 Ų | 235 | 140.6 Ų | 140.6 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | 176.2 | 123.8 | 122.6 | -95 | 157.7 | -169.9 | -163.8 | 2.6 | 117.1 | |||||
| 225 | D | 31 | Very low | 33.5 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | 46.8 | 155.3 | 124.7 | -134.5 | -35.4 | 0 | 0 | 0 | 123.6 | |||||
| 226 | G | 29.6 | Very low | 33.5 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 109.6 | 71.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 227 | S | 34.9 | Very low | 33.2 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | 68.9 | 93.7 | 64.9 | -165.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 228 | S | 35.3 | Very low | 33.2 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -170.9 | 165 | 148.8 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 229 | K | 35.9 | Very low | 33.4 | Very low | 196 Ų | 196 | 132.6 Ų | 132.6 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | -161.4 | 162 | -57.1 | -146.6 | 168.6 | -175.7 | 170.4 | 0 | 109.3 | |||||
| 230 | S | 34.8 | Very low | 33.7 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | trans | 71.5 | 152.7 | 172.3 | 79.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 231 | G | 30.8 | Very low | 33.8 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | cis | 154 | 120.5 | -18.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 232 | R | 32.3 | Very low | 34.3 | Very low | 246 Ų | 246 | 137.9 Ų | 137.9 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | trans | 82 | 119 | 156.3 | -59.1 | -179.6 | 175.1 | 173.7 | -2.2 | 120.5 | ||||
| 233 | D | 33.4 | Very low | 35 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -31 | 167 | 142.1 | -59.2 | -88.6 | 0 | 0 | 0 | 115.9 | ||||
| 234 | P | 52 | Low | 35.2 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | cis | -159.3 | 160.2 | 38.9 | 44.2 | -21.4 | 0 | 0 | 0 | 123.8 | ||||
| 235 | S | 32.6 | Very low | 35 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 82.7 | 156.4 | 133.2 | 73.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 236 | S | 33 | Very low | 35.2 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | 79 | 141.3 | 167.8 | 83.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 237 | S | 30 | Very low | 35.3 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | cis | -153.5 | 155.1 | -0.9 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 238 | S | 29.2 | Very low | 35.2 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 42.1 | 149.2 | 146.4 | 55.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 239 | S | 35.1 | Very low | 35.1 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | -178.3 | 134.7 | -20.4 | 54.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 240 | S | 38.6 | Very low | 35 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 53.4 | 167 | 131.9 | -44.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 241 | K | 34.4 | Very low | 34.7 | Very low | 192 Ų | 192 | 136 Ų | 136 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | cis | -147.8 | 174.3 | 17.6 | -37.8 | 161.5 | -175.5 | 170.8 | 0 | 107.8 | ||||
| 242 | K | 39.9 | Very low | 34.8 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | cis | 70.1 | 149.8 | 12.5 | -75.1 | -163.8 | 174.1 | -172.4 | 0 | 118.5 | ||||
| 243 | P | 46.8 | Very low | 34.7 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | cis | -79.8 | -148.8 | -0.3 | 40.6 | -40.4 | 0 | 0 | 0 | 111.5 | ||||
| 244 | S | 35 | Very low | 34.5 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | cis | -155.7 | 165.4 | 6.5 | 39.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 245 | E | 29.4 | Very low | 33.6 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | cis | 80 | 146.7 | 24 | -55.5 | -171 | 82.2 | 0 | 0 | 114.2 | ||||
| 246 | I | 36.2 | Very low | 34.3 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | cis | -156.9 | 130 | 48.6 | -81.4 | 178.1 | 0 | 0 | 0 | 112.6 | ||||
| 247 | K | 31.2 | Very low | 34.2 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 73% | 0.726 | 75% | 0.748 | S | S | * | * | trans | 48.3 | 158.5 | 130.6 | -53.3 | -175.3 | -176.5 | 172.1 | 0 | 121.6 | ||||
| 248 | V | 33.6 | Very low | 34.4 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | cis | -172.6 | 151.3 | -6.5 | 126.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 249 | K | 33.4 | Very low | 34.4 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | 60.2 | 164 | 160.4 | -81.5 | 176.4 | 176.8 | -170.1 | 0 | 119.9 | ||||
| 250 | D | 34.3 | Very low | 34.4 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | 135.7 | 118.4 | -12.6 | -170.8 | -19.2 | 0 | 0 | 0 | 110 | ||||
| 251 | E | 27.5 | Very low | 34.2 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -171.3 | 165.3 | 159.1 | -110.6 | -85.3 | 58.6 | 0 | 0 | 111.1 | ||||
| 252 | V | 32.8 | Very low | 34 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | trans | -129 | 139.2 | -165.4 | 174.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 253 | K | 30.2 | Very low | 34.1 | Very low | 188 Ų | 188 | 142 Ų | 142 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | 173.6 | 143.5 | 133.9 | -100 | 177.8 | 176.8 | 171.2 | 0 | 118.2 | ||||
| 254 | V | 29.8 | Very low | 33.3 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | 71.5 | 123 | 135.1 | 171.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 255 | Q | 33.2 | Very low | 33.2 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -80.4 | 168.1 | 158.5 | -58.7 | 177.9 | -11.2 | 0 | 0 | 111.4 | ||||
| 256 | P | 46.6 | Very low | 33.1 | Very low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | -145.9 | 151.6 | 105.9 | 37.4 | -23.7 | 0 | 0 | 0 | 116.6 | |||||
| 257 | K | 31.7 | Very low | 32.8 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | 32.3 | 143.3 | 130.1 | -60.9 | 179.8 | -179.5 | -179.8 | 0 | 120 | ||||
| 258 | A | 32.5 | Very low | 32.8 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | cis | -170.4 | 178.1 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 259 | A | 29.3 | Very low | 32.6 | Very low | 91 Ų | 91 | 147.7 Ų | 147.7 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 20.3 | 148.3 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 260 | F | 36.3 | Very low | 32.5 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | -175.4 | 145.7 | 70 | -158.8 | -142.7 | 0 | 0 | 0 | 113.6 | |||||
| 261 | K | 32.9 | Very low | 32.4 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 60.7 | 121.5 | 147.5 | -86.9 | -170.4 | -174.2 | 173.9 | 0 | 124.1 | ||||
| 262 | E | 32 | Very low | 32.7 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -33.5 | 157.6 | 133 | -94.4 | -167.2 | 135.4 | 0 | 0 | 115.9 | ||||
| 263 | P | 40.5 | Very low | 32.6 | Very low | 125 Ų | 125 | 149.5 Ų | 149.5 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | -152.7 | -173.7 | 59.5 | 43.9 | -23 | 0 | 0 | 0 | 118.7 | |||||
| 264 | K | 31.7 | Very low | 32.7 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | -110.1 | 162.5 | 176.9 | -168.6 | 177.6 | -172.1 | 173.2 | 0 | 109.4 | ||||
| 265 | L | 31.8 | Very low | 33.2 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 105 | 135.9 | 159.9 | -58.1 | 173.4 | 0 | 0 | 0 | 120.3 | ||||
| 266 | T | 27.5 | Very low | 33.4 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 75.3 | 123.9 | 139.2 | 46.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 267 | L | 29.4 | Very low | 33.8 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 67.6 | 107.4 | 130.3 | -75.1 | 163.6 | 0 | 0 | 0 | 122.2 | ||||
| 268 | K | 31.5 | Very low | 33.8 | Very low | 164 Ų | 164 | 144 Ų | 144 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | 79.6 | 141.8 | 116.3 | -126.9 | -165.4 | 172.6 | -149.9 | 0 | 120.9 | |||||
| 269 | E | 28.8 | Very low | 33.6 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 66% | 0.659 | 78% | 0.778 | S | S | * | * | trans | 59.3 | 123.2 | 156.1 | -81.9 | 176.1 | 97.9 | 0 | 0 | 121 | ||||
| 270 | S | 33.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -121.4 | 141.4 | 144.5 | 56.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 271 | K | 30.8 | Very low | 33.3 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -154.1 | 119.8 | -177.9 | -178.9 | -174.7 | 175.9 | -176.5 | 0 | 112.3 | ||||
| 272 | M | 33.4 | Very low | 33.5 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 82% | 0.823 | 80% | 0.8 | S | S | * | * | trans | -171.1 | 144 | 160 | 59.6 | 176.3 | 63.5 | 0 | 0 | 105.5 | ||||
| 273 | D | 30.7 | Very low | 33.4 | Very low | 161 Ų | 161 | 132 Ų | 132 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | cis | -139.1 | 168.9 | -11.5 | -85.1 | -50.4 | 0 | 0 | 0 | 106.7 | ||||
| 274 | G | 32.6 | Very low | 33.1 | Very low | 56 Ų | 56 | 132.2 Ų | 132.2 | 58% | 0.577 | 80% | 0.803 | S | S | * | * | cis | -179.1 | -166.5 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 275 | M | 41.2 | Very low | 33 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 93% | 0.931 | 81% | 0.806 | S | S | * | * | trans | 67.9 | 150 | 175.2 | -77.9 | 56 | 173.1 | 0 | 0 | 117.6 | ||||
| 276 | S | 37.2 | Very low | 32.9 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -135.9 | -171.4 | -173.4 | -62.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 277 | P | 54.8 | Low | 33 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | cis | -147.6 | -178.7 | 9.3 | 43.6 | -23.4 | 0 | 0 | 0 | 118.7 | ||||
| 278 | K | 32.3 | Very low | 33 | Very low | 206 Ų | 206 | 120.3 Ų | 120.3 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | 74.1 | 133 | 145.5 | -95.3 | 179.6 | 173.7 | 180 | 0 | 121.4 | ||||
| 279 | G | 27.7 | Very low | 33 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | 88 | 127.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 280 | G | 30.1 | Very low | 33 | Very low | 88 Ų | 88 | 113.7 Ų | 113.7 | 91% | 0.907 | 84% | 0.841 | S | S | * | * | cis | 104.7 | 114.7 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 281 | G | 29.8 | Very low | 32.9 | Very low | 85 Ų | 85 | 111.3 Ų | 111.3 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | trans | 145.9 | 140.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 282 | A | 36.3 | Very low | 33.2 | Very low | 112 Ų | 112 | 107 Ų | 107 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | trans | -122.8 | 151.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 283 | G | 30.8 | Very low | 33.5 | Very low | 72 Ų | 72 | 105.9 Ų | 105.9 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | trans | 159.7 | 115.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 284 | S | 34.2 | Very low | 33.7 | Very low | 131 Ų | 131 | 104.8 Ų | 104.8 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | 45.9 | 125.1 | 125.8 | -162.4 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 285 | G | 29.6 | Very low | 34 | Very low | 80 Ų | 80 | 106.1 Ų | 106.1 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | 91.8 | 156 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 286 | G | 28.9 | Very low | 33.7 | Very low | 82 Ų | 82 | 105 Ų | 105 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | cis | 148 | 123 | -13.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 287 | G | 30.1 | Very low | 33.7 | Very low | 85 Ų | 85 | 103.8 Ų | 103.8 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | 101.4 | 137.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 288 | G | 29.8 | Very low | 33.8 | Very low | 88 Ų | 88 | 104.4 Ų | 104.4 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | 84.3 | 142 | 161 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 289 | G | 30.2 | Very low | 34.1 | Very low | 79 Ų | 79 | 98 Ų | 98 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | cis | 163 | 128.1 | -12.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 290 | G | 29 | Very low | 34.9 | Very low | 88 Ų | 88 | 104.9 Ų | 104.9 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | 78.2 | 154.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 291 | G | 30.7 | Very low | 35.4 | Very low | 74 Ų | 74 | 110.5 Ų | 110.5 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | cis | 165.4 | 146.7 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 292 | A | 38.6 | Very low | 36.6 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 66.6 | 151.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 293 | V | 38.8 | Very low | 36.6 | Very low | 143 Ų | 143 | 110.6 Ų | 110.6 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | cis | -162.5 | 166.1 | -22.3 | -91.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 294 | E | 35.7 | Very low | 36.7 | Very low | 138 Ų | 138 | 113.1 Ų | 113.1 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | cis | -118.3 | -95.9 | -4.7 | -173.5 | -154.1 | 137.2 | 0 | 0 | 110.4 | K296 | E294-K296 WeakPolarHBondContact OE1-CG 3.42Å; E294-K296 IonicContact OE1-NZ 2.9Å; E294-K296 PolarHBondContact OE1-NZ 3Å; E294-K296 IonicContact OE2-NZ 3.1Å; E294-K296 PolarHBondContact OE2-NZ 3.37Å | ||
| 295 | A | 38.9 | Very low | 36.7 | Very low | 84 Ų | 84 | 112.7 Ų | 112.7 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | cis | -166.3 | 155.5 | -24.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 296 | K | 33.8 | Very low | 36.7 | Very low | 165 Ų | 165 | 116.6 Ų | 116.6 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | cis | -154.9 | -150.4 | -17.4 | -150.7 | 158.5 | -167.4 | 73 | 0 | 108.9 | E294 | E294-K296 WeakPolarHBondContact OE1-CG 3.42Å; E294-K296 IonicContact OE1-NZ 2.9Å; E294-K296 PolarHBondContact OE1-NZ 3Å; E294-K296 IonicContact OE2-NZ 3.1Å; E294-K296 PolarHBondContact OE2-NZ 3.37Å | ||
| 297 | A | 37.6 | Very low | 37.2 | Very low | 89 Ų | 89 | 117.4 Ų | 117.4 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -154.3 | -166.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 298 | P | 56.2 | Low | 38.2 | Very low | 125 Ų | 125 | 119 Ų | 119 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | cis | -122.1 | -172.1 | 5.5 | 45 | -30.5 | 0 | 0 | 0 | 113.8 | ||||
| 299 | G | 39.4 | Very low | 38.7 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | 119.6 | 109.1 | -7.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 300 | K | 45.1 | Very low | 39.5 | Very low | 224 Ų | 224 | 126.7 Ų | 126.7 | 97% | 0.974 | 77% | 0.772 | S | S | * | * | trans | -154 | 162.8 | 165.7 | -107.3 | 179.4 | -176.1 | -179.4 | 0 | 112.4 | ||||
| 301 | R | 40.8 | Very low | 39.8 | Very low | 206 Ų | 206 | 128.2 Ų | 128.2 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -114.7 | 165.8 | -169 | -130.1 | -168 | 168.7 | 157.4 | -4.5 | 111.7 | ||||
| 302 | P | 53.5 | Low | 40.4 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | -119.7 | -168.1 | 60.7 | 30.9 | -12 | 0 | 0 | 0 | 112.2 | |||||
| 303 | S | 37.1 | Very low | 40.3 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | cis | -150.7 | -164.3 | 22.3 | -49.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 304 | T | 32.6 | Very low | 40.4 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -152.9 | 163.5 | -179.6 | 35.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 305 | V | 34.5 | Very low | 40.3 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | cis | -158.7 | 167.2 | 17.6 | 91.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 306 | E | 28.6 | Very low | 40.3 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | cis | -142.7 | -99.4 | -8.7 | -161.8 | -179.9 | 98 | 0 | 0 | 113.6 | ||||
| 307 | S | 40.2 | Very low | 40.3 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -172.7 | -167.4 | -159.2 | -70.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 308 | P | 51.8 | Low | 39.8 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | cis | -133 | 179.3 | -10.3 | 41.6 | -25.4 | 0 | 0 | 0 | 115.6 | ||||
| 309 | K | 38.8 | Very low | 38.5 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -87.7 | 165 | 155.4 | -67.2 | 176.3 | 178.5 | 173.7 | 0 | 110.6 | ||||
| 310 | P | 47.6 | Very low | 38.3 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -127 | 170.9 | 143.2 | 37.5 | -28.4 | 0 | 0 | 0 | 113.5 | ||||
| 311 | S | 36.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -144.5 | 147 | 176.8 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 312 | A | 43.1 | Very low | 37.2 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 7.8 | 143 | 169.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 313 | K | 36 | Very low | 36.3 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | 166.8 | 125.1 | 101.4 | -172.8 | 173 | -169.7 | 177 | 0 | 115.1 | |||||
| 314 | K | 40.5 | Very low | 36.2 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 29.5 | 127.8 | 156.6 | -66 | -175.9 | 174.3 | -177.3 | 0 | 121.8 | ||||
| 315 | Q | 34.6 | Very low | 36.2 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | -152.9 | -165.3 | 119.2 | -120.2 | 170.5 | -11.4 | 0 | 0 | 113.3 | |||||
| 316 | K | 37.5 | Very low | 37.3 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -150.8 | 146.8 | -145.6 | -175.6 | -165.6 | 176.4 | -178.7 | 0 | 115.8 | ||||
| 317 | K | 34.3 | Very low | 37.6 | Very low | 206 Ų | 206 | 140 Ų | 140 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | 101.2 | 143.2 | 150.8 | -146.8 | -173.2 | 179.6 | -164.5 | 0 | 118.5 | ||||
| 318 | G | 27.9 | Very low | 37.3 | Very low | 65 Ų | 65 | 138.6 Ų | 138.6 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | 115.6 | 123.1 | -178 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 319 | S | 29.6 | Very low | 36.4 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | cis | 70.8 | 130.2 | 33.6 | -59.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 320 | S | 34.3 | Very low | 36.3 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | cis | -164.9 | 176.9 | -12.9 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 321 | D | 31.3 | Very low | 35.7 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 72.2 | 141.5 | 159.2 | -64.5 | -74.3 | 0 | 0 | 0 | 121.8 | ||||
| 322 | G | 30.6 | Very low | 35.7 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -169.8 | 130.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 323 | L | 36.2 | Very low | 35.2 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 72% | 0.723 | 79% | 0.788 | S | S | * | * | trans | -133.9 | 127.5 | -161.8 | -82.2 | 165 | 0 | 0 | 0 | 114.1 | ||||
| 324 | K | 34.7 | Very low | 35.2 | Very low | 202 Ų | 202 | 132.4 Ų | 132.4 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | 63.6 | 164.3 | 155.7 | -57.2 | 169.6 | -179.2 | 175.1 | 0 | 115.1 | ||||
| 325 | G | 32.2 | Very low | 34.8 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | -161.6 | -177.7 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 326 | P | 57.3 | Low | 35.8 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -134.4 | 166.3 | -145 | 42.5 | -28.5 | 0 | 0 | 0 | 119 | ||||
| 327 | T | 35.9 | Very low | 35.8 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | trans | -149.3 | 149.9 | 146.1 | 51.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 328 | G | 33.5 | Very low | 35.7 | Very low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | -176.6 | 146.5 | -13.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 329 | S | 32.8 | Very low | 35.9 | Very low | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 60.1 | 110.8 | -179.3 | -141.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 330 | A | 35.7 | Very low | 36 | Very low | 71 Ų | 71 | 124.2 Ų | 124.2 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | cis | 62.1 | 135.3 | 42.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 331 | F | 36.5 | Very low | 35.8 | Very low | 196 Ų | 196 | 124.8 Ų | 124.8 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | cis | -121.7 | -172.3 | 9.5 | -57.9 | -90.1 | 0 | 0 | 0 | 110.1 | ||||
| 332 | T | 36.1 | Very low | 35.8 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | -129.1 | -159.6 | 13.1 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 333 | G | 32.3 | Very low | 35.9 | Very low | 61 Ų | 61 | 124.2 Ų | 124.2 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | 95.6 | 123.6 | 4.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 334 | T | 35.2 | Very low | 35.6 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | cis | -126.3 | 179.3 | 0 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 335 | S | 33 | Very low | 35.4 | Very low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -137.3 | -162.1 | -162.1 | -158.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 336 | P | 54.1 | Low | 36 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | -126.7 | -178.8 | -88.1 | 41.2 | -27.3 | 0 | 0 | 0 | 116.5 | |||||
| 337 | R | 37.8 | Very low | 34.8 | Very low | 235 Ų | 235 | 125.4 Ų | 125.4 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | 5.4 | 140.7 | 148.2 | -60.3 | 177.2 | 172.8 | -161.8 | -1.5 | 120.3 | ||||
| 338 | V | 33.7 | Very low | 34.7 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -143 | 175.6 | 131 | -81.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 339 | S | 31.4 | Very low | 34.8 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -116.7 | 150.8 | -156.4 | -55.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 340 | S | 31.5 | Very low | 34.6 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 64 | 134.6 | 138.6 | 62 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 341 | S | 30.7 | Very low | 34.7 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 109 | 159.4 | 135.2 | 82.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 342 | S | 31.2 | Very low | 35 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | 69.7 | 169.5 | 179 | 78.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 343 | A | 32.5 | Very low | 35.4 | Very low | 87 Ų | 87 | 133.7 Ų | 133.7 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | -155.4 | 178.7 | -161.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 344 | I | 29.6 | Very low | 35.3 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 87.4 | 136.4 | 165.6 | -59 | 169.8 | 0 | 0 | 0 | 117 | ||||
| 345 | S | 30.7 | Very low | 35.1 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 82.3 | 141.4 | 158.8 | 66.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 346 | Q | 44.9 | Very low | 35 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -97 | 166.3 | 170.3 | -60.7 | 160.4 | -63.8 | 0 | 0 | 109.8 | ||||
| 347 | S | 32.4 | Very low | 34.1 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -149.4 | 157.3 | 169.2 | 57.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 348 | Y | 32.3 | Very low | 33.9 | Very low | 227 Ų | 227 | 135.8 Ų | 135.8 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | cis | -121.4 | 169.6 | 0.7 | -72.6 | -101.6 | 0 | 0 | 0 | 108.3 | ||||
| 349 | G | 35.9 | Very low | 33.8 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | 106.5 | 128.6 | 29.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 350 | E | 30.1 | Very low | 33.5 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 58% | 0.584 | 79% | 0.788 | S | S | * | * | cis | -101 | -118 | 9.5 | -164.9 | -155.4 | 121.3 | 0 | 0 | 112.3 | K352 | E350-K352 PolarHBondContact OE1-N 3.02Š| ||
| 351 | K | 37.1 | Very low | 34.5 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | cis | -139.9 | 167.9 | 3.2 | -81.7 | -72.3 | 160 | -158 | 0 | 111.5 | ||||
| 352 | K | 42.9 | Very low | 35.6 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -76.2 | 162.1 | -172.1 | -80.5 | 177.6 | -177.9 | 179.5 | 0 | 117.7 | E350 | E350-K352 PolarHBondContact OE1-N 3.02Š| ||
| 353 | P | 44.7 | Very low | 35.4 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -118.9 | 170.1 | -168.5 | 42.9 | -32.8 | 0 | 0 | 0 | 116.3 | ||||
| 354 | S | 29.5 | Very low | 35.2 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -168.7 | 154.4 | 137.7 | 63.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 355 | K | 31.5 | Very low | 35.3 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | 61.1 | 108.1 | 157.4 | -84.5 | -171.9 | 171.8 | 179.8 | 0 | 123.2 | ||||
| 356 | D | 31.2 | Very low | 35.3 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | 87.2 | 140.4 | 112.7 | -156.1 | -138 | 0 | 0 | 0 | 121.4 | |||||
| 357 | K | 35.6 | Very low | 34.7 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | 67.3 | 143.8 | 176.2 | -45.1 | 179.1 | -171.3 | 172.4 | 0 | 115.7 | ||||
| 358 | G | 32.2 | Very low | 34.7 | Very low | 70 Ų | 70 | 149.1 Ų | 149.1 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | -162.9 | 171.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 359 | R | 31.6 | Very low | 34.5 | Very low | 251 Ų | 251 | 146.6 Ų | 146.6 | 95% | 0.947 | 76% | 0.759 | S | S | * | * | trans | -66.5 | 136.1 | -168.9 | -88.4 | 177.5 | 174.7 | -102.6 | 2.7 | 116 | ||||
| 360 | W | 25.6 | Very low | 34.2 | Very low | 225 Ų | 225 | 149.7 Ų | 149.7 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | -70.6 | 173.1 | 144.6 | -75.7 | 56.8 | 0 | 0 | 0 | 110.9 | ||||
| 361 | P | 53.1 | Low | 34.3 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | cis | -127.8 | -118.8 | -38.6 | 33 | -11.1 | 0 | 0 | 0 | 108 | ||||
| 362 | P | 53.1 | Low | 34 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 61% | 0.61 | 75% | 0.754 | S | S | * | * | cis | -133.5 | -168 | -46.5 | 36.8 | -17.2 | 0 | 0 | 0 | 114.7 | ||||
| 363 | K | 27.4 | Very low | 33.3 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 75.1 | 118.5 | 139.3 | -86.2 | 173 | -171.8 | 173.4 | 0 | 122.8 | ||||
| 364 | N | 28.4 | Very low | 32.6 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | 62.9 | 151.9 | 117.5 | -62.5 | 19.9 | 0 | 0 | 0 | 124.1 | |||||
| 365 | K | 32 | Very low | 32.6 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 107.2 | 103.1 | 141.1 | -88.7 | 177.6 | 174.4 | -168.7 | 0 | 119.8 | ||||
| 366 | N | 30.3 | Very low | 32.3 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | 75.3 | 130.1 | 117.7 | -78.7 | 60 | 0 | 0 | 0 | 123.5 | |||||
| 367 | D | 31 | Very low | 32.3 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | trans | 87.2 | 112.9 | 133.5 | -77.2 | -52.6 | 0 | 0 | 0 | 123.4 | ||||
| 368 | A | 32.7 | Very low | 32.7 | Very low | 84 Ų | 84 | 146.2 Ų | 146.2 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | 99.5 | 141.5 | 120.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 369 | Q | 28.7 | Very low | 32.5 | Very low | 173 Ų | 173 | 151 Ų | 151 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | trans | 65.2 | 154.7 | 162.6 | -69.2 | -164.5 | -82.3 | 0 | 0 | 119.3 | ||||
| 370 | E | 29 | Very low | 32.4 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 66% | 0.659 | 73% | 0.727 | S | S | * | * | cis | -167.4 | 168.3 | -35.4 | -153.7 | -177.1 | 141.3 | 0 | 0 | 109 | ||||
| 371 | L | 32.9 | Very low | 32.7 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 63% | 0.634 | 72% | 0.724 | S | S | * | * | trans | 82.4 | 129.9 | 145.7 | -133.3 | 85.3 | 0 | 0 | 0 | 121 | ||||
| 372 | K | 31.1 | Very low | 32 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 66.7 | 150.9 | 149.9 | -83.3 | 179.3 | -174.6 | -90.3 | 0 | 119.9 | ||||
| 373 | E | 27.6 | Very low | 31.2 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | cis | -164.7 | -178.5 | -23.3 | -140.2 | -175.5 | 123.2 | 0 | 0 | 110.5 | ||||
| 374 | L | 30.8 | Very low | 31.4 | Very low | 114 Ų | 114 | 144 Ų | 144 | 60% | 0.597 | 74% | 0.738 | S | S | * | * | trans | 75.5 | 109.2 | 157.2 | -98.5 | 71.3 | 0 | 0 | 0 | 121.6 | ||||
| 375 | K | 28.7 | Very low | 31.8 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | 67.5 | 109.2 | 123 | -72.5 | 177.2 | -170.3 | 170.4 | 0 | 122.4 | |||||
| 376 | K | 25.6 | Very low | 32.1 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | 86.1 | 116.8 | 109.6 | -153 | -154.7 | 177.7 | -163.1 | 0 | 119.9 | |||||
| 377 | L | 30.9 | Very low | 32.5 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | trans | -38.3 | 151.2 | 153.7 | -90 | 160.4 | 0 | 0 | 0 | 115.1 | ||||
| 378 | P | 43.5 | Very low | 33.4 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | -138.9 | -178 | 79.2 | 41 | -26.7 | 0 | 0 | 0 | 116.6 | |||||
| 379 | E | 29.2 | Very low | 33.5 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -91.5 | 151.5 | 179.8 | -58.7 | 139.6 | 107.9 | 0 | 0 | 113.7 | ||||
| 380 | S | 29.8 | Very low | 33.8 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | 175.5 | 109.9 | 151.7 | 53.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 381 | E | 30.5 | Very low | 34.1 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | 78.6 | 123.4 | 75.9 | -66.2 | -78.2 | 62.7 | 0 | 0 | 114.4 | |||||
| 382 | E | 38.9 | Very low | 34.3 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 42.6 | 138.9 | 154.9 | 72.8 | -166.7 | 133.4 | 0 | 0 | 126.3 | ||||
| 383 | S | 35.3 | Very low | 34.5 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -163.7 | 123.4 | 150.4 | -76.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 384 | N | 31.5 | Very low | 34.6 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 58.9 | 132.1 | 82.4 | -61.4 | -43.5 | 0 | 0 | 0 | 113.1 | |||||
| 385 | S | 37 | Very low | 34.8 | Very low | 102 Ų | 102 | 145 Ų | 145 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | cis | -151.5 | -165.2 | -6.9 | 36.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 386 | E | 39.4 | Very low | 34.9 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | cis | -145.5 | 165.5 | 16.9 | -65.6 | 175.3 | 158.4 | 0 | 0 | 107.4 | ||||
| 387 | D | 39.1 | Very low | 35.4 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | cis | 74.7 | 128.3 | 42.6 | -127.1 | -116.7 | 0 | 0 | 0 | 114 | ||||
| 388 | E | 48.1 | Very low | 35.6 | Very low | 156 Ų | 156 | 136 Ų | 136 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | cis | -167.7 | -168.5 | -20 | -128.2 | -66.3 | 122 | 0 | 0 | 110 | ||||
| 389 | A | 35.7 | Very low | 35 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 81 | 151.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 390 | S | 35.7 | Very low | 35.6 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | cis | 166 | 130.9 | -35.3 | 168.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 391 | S | 33.8 | Very low | 36.5 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -171.4 | 170.4 | 158.6 | -89.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 392 | K | 37.4 | Very low | 36.7 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -145.6 | 132.6 | -144.7 | -167.3 | -169.7 | -177.2 | -171.5 | 0 | 114.6 | ||||
| 393 | S | 35.7 | Very low | 36.1 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | 60.2 | 171.3 | 162.7 | -52.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 394 | E | 30.1 | Very low | 36.3 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | cis | -146 | 148.8 | 18 | -70.7 | -176.5 | 125.9 | 0 | 0 | 115.3 | ||||
| 395 | Q | 35.2 | Very low | 36.5 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 31.1 | 122.1 | 136.4 | -170 | 171.2 | -5.4 | 0 | 0 | 123.4 | ||||
| 396 | S | 31.5 | Very low | 36.8 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -175.5 | 174.4 | 136.5 | -88.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 397 | A | 34.3 | Very low | 36.8 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -138.9 | 160.2 | -159.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 398 | A | 35.1 | Very low | 36.8 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | 77.8 | 154.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 399 | S | 32 | Very low | 36 | Very low | 121 Ų | 121 | 124 Ų | 124 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 100.1 | 110.9 | 165 | -43.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 400 | S | 41.3 | Very low | 36.1 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -78.1 | 165.2 | 151.4 | -49.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 401 | P | 49 | Very low | 36.1 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | -140.8 | 153.5 | 101.6 | 37.9 | -26.8 | 0 | 0 | 0 | 114.9 | |||||
| 402 | S | 33.7 | Very low | 36.1 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -83.4 | 153.7 | 162.4 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 403 | N | 28 | Very low | 36 | Very low | 163 Ų | 163 | 120.4 Ų | 120.4 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -148.1 | 150 | 150.3 | -145.9 | 10.9 | 0 | 0 | 0 | 111.7 | ||||
| 404 | S | 38.9 | Very low | 36.1 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -156.7 | 128.9 | -170.3 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 405 | T | 35.8 | Very low | 36.9 | Very low | 131 Ų | 131 | 119.4 Ų | 119.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -153 | 145.7 | 172.2 | 42.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 406 | S | 43.7 | Very low | 36.7 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | cis | -170.1 | 151.4 | -15 | 47.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 407 | S | 39.8 | Very low | 37.1 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 61 | 141.5 | 144.3 | 60 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 408 | S | 37.5 | Very low | 37.5 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | -133.7 | -157.5 | 17.4 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 409 | D | 32.4 | Very low | 37.4 | Very low | 143 Ų | 143 | 120.1 Ų | 120.1 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | cis | -154.7 | -151.6 | 4.8 | -140.6 | -56.7 | 0 | 0 | 0 | 113.4 | ||||
| 410 | S | 36.4 | Very low | 37.4 | Very low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -118.4 | 162.7 | -156.7 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 411 | S | 36 | Very low | 37.3 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | cis | -175.4 | 152.3 | -7.5 | 42.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 412 | S | 34.7 | Very low | 37 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | 64.1 | 154.8 | 145.1 | -78.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 413 | D | 34.6 | Very low | 36.9 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | cis | -156.6 | 167.5 | -8.4 | -134.9 | -94.2 | 0 | 0 | 0 | 114.1 | ||||
| 414 | S | 39.2 | Very low | 37.6 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 43.8 | 115.4 | 151.7 | -71.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 415 | D | 45.5 | Very low | 37.3 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -13.7 | 126.3 | 139.3 | -146.3 | -37.9 | 0 | 0 | 0 | 120.2 | ||||
| 416 | F | 31.1 | Very low | 37.6 | Very low | 194 Ų | 194 | 126.8 Ų | 126.8 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -170.5 | 151.3 | 131.9 | -132.6 | -106.8 | 0 | 0 | 0 | 113.6 | ||||
| 417 | E | 39.9 | Very low | 37.3 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | trans | -103.5 | 137.1 | 170.4 | -130.2 | -80 | 147.5 | 0 | 0 | 109.6 | G419 | E417-G419 PolarHBondContact OE2-N 2.66Š| ||
| 418 | P | 43 | Very low | 37.6 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | -150.9 | 120.4 | 119.2 | 34.1 | -15.5 | 0 | 0 | 0 | 115.8 | |||||
| 419 | G | 32.1 | Very low | 37.9 | Very low | 52 Ų | 52 | 137.5 Ų | 137.5 | 54% | 0.536 | 79% | 0.789 | S | S | . | * | 59.8 | 139.1 | 120 | 0 | 0 | 0 | 0 | 0 | 122.8 | E417 | E417-G419 PolarHBondContact OE2-N 2.66Š| |||
| 420 | Q | 33.8 | Very low | 38.2 | Very low | 202 Ų | 202 | 139.8 Ų | 139.8 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | trans | 93.8 | 166.6 | 169.5 | -53 | -164.2 | -12.4 | 0 | 0 | 116.8 | ||||
| 421 | K | 39 | Very low | 38.6 | Very low | 200 Ų | 200 | 141.6 Ų | 141.6 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -128.7 | 170.1 | -152.2 | -48.3 | 177.7 | -174.3 | 178.7 | 0 | 111.1 | ||||
| 422 | P | 42.5 | Very low | 39 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | cis | -127.9 | 125.9 | -37.4 | 29.5 | -11.8 | 0 | 0 | 0 | 111.8 | ||||
| 423 | G | 31.9 | Very low | 39.2 | Very low | 82 Ų | 82 | 150 Ų | 150 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -96.9 | 135 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 424 | Q | 42.2 | Very low | 39.8 | Very low | 210 Ų | 210 | 151.5 Ų | 151.5 | 98% | 0.981 | 83% | 0.827 | S | S | * | * | trans | -77.8 | 135.6 | 171.5 | -70.9 | 175.1 | -25.2 | 0 | 0 | 110.3 | ||||
| 425 | G | 33.3 | Very low | 39.7 | Very low | 68 Ų | 68 | 155.4 Ų | 155.4 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | trans | -133.9 | 153 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 426 | P | 41.5 | Very low | 39.2 | Very low | 125 Ų | 125 | 154.1 Ų | 154.1 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | trans | -110.8 | 121 | -139.9 | 6.3 | 15.9 | 0 | 0 | 0 | 114.4 | ||||
| 427 | L | 37.5 | Very low | 39.8 | Very low | 179 Ų | 179 | 154 Ų | 154 | 94% | 0.937 | 84% | 0.838 | S | S | * | * | trans | -136.4 | 55.3 | 159.5 | -75.6 | -178.9 | 0 | 0 | 0 | 110.8 | ||||
| 428 | R | 46.2 | Very low | 39.9 | Very low | 235 Ų | 235 | 156 Ų | 156 | 89% | 0.887 | 85% | 0.848 | S | S | * | * | trans | -133.8 | 78.1 | 166 | -84.3 | -170.5 | 170 | -92.8 | -0.6 | 109.9 | ||||
| 429 | S | 42.3 | Very low | 39.9 | Very low | 114 Ų | 114 | 155.9 Ų | 155.9 | 80% | 0.797 | 85% | 0.85 | S | S | * | * | trans | -147.5 | 75.2 | 170.9 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 430 | M | 39.9 | Very low | 41.1 | Very low | 191 Ų | 191 | 160 Ų | 160 | 94% | 0.941 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -163.6 | 21.6 | 164.7 | -78.5 | -149.4 | 171.3 | 0 | 0 | 111.4 | ||
| 431 | V | 45.1 | Very low | 41.8 | Very low | 135 Ų | 135 | 158 Ų | 158 | 82% | 0.818 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -143.2 | 41.7 | -177.4 | -159.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 432 | E | 42.8 | Very low | 42 | Very low | 199 Ų | 199 | 155.6 Ų | 155.6 | 93% | 0.93 | 85% | 0.852 | S | S | * | * | trans | -152 | 64.3 | 178.3 | -155.6 | 154.4 | -128.8 | 0 | 0 | 110.1 | ||||
| 433 | E | 40.3 | Very low | 41.8 | Very low | 185 Ų | 185 | 156.4 Ų | 156.4 | 86% | 0.864 | 85% | 0.85 | S | S | * | * | trans | -141.3 | 152.9 | 167.6 | -167.4 | 169.7 | -160.8 | 0 | 0 | 106.9 | ||||
| 434 | I | 46.7 | Very low | 42.5 | Very low | 163 Ų | 163 | 157.4 Ų | 157.4 | 84% | 0.836 | 84% | 0.844 | S | S | * | * | S | Bend | trans | 72.5 | 62.6 | -168.9 | -38.2 | 169.3 | 0 | 0 | 0 | 114.7 | ||
| 435 | Q | 36.5 | Very low | 42.4 | Very low | 187 Ų | 187 | 152.7 Ų | 152.7 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -157.5 | 89 | 140.3 | -75.9 | -152.9 | -8.3 | 0 | 0 | 110.2 | ||||
| 436 | S | 35.2 | Very low | 42.6 | Very low | 126 Ų | 126 | 153.2 Ų | 153.2 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | -165 | 77.7 | 173.7 | -69 | 0 | 0 | 0 | 0 | 114 | ||||
| 437 | E | 43.5 | Very low | 42.7 | Very low | 191 Ų | 191 | 155.5 Ų | 155.5 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | -169.9 | 98.8 | 153.4 | 49.1 | -166.4 | 150.6 | 0 | 0 | 106.1 | ||||
| 438 | E | 43.3 | Very low | 42.8 | Very low | 190 Ų | 190 | 155.9 Ų | 155.9 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | 68.8 | 97.6 | 76.8 | -170.9 | 164.2 | 80.2 | 0 | 0 | 113.8 | |||||
| 439 | S | 41.8 | Very low | 42.1 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -163.4 | 122 | 144.1 | -170.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 440 | D | 58.3 | Low | 41.9 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | -75.1 | 162.5 | 163.2 | -66 | -64.4 | 0 | 0 | 0 | 110.4 | ||||
| 441 | D | 47.5 | Very low | 42.2 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | -179.4 | 146.4 | 127.1 | -92.3 | -17.7 | 0 | 0 | 0 | 111.3 | |||||
| 442 | D | 44.3 | Very low | 41.7 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -56.7 | 161.3 | -159.9 | -71.7 | -69.4 | 0 | 0 | 0 | 122.3 | ||||
| 443 | D | 37.1 | Very low | 41.4 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | 126.5 | 145.4 | 118.8 | -136.7 | -55.2 | 0 | 0 | 0 | 119.1 | |||||
| 444 | S | 47.2 | Very low | 41 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 81.4 | 108.1 | 154.8 | -72.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 445 | S | 40.5 | Very low | 40.2 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -68.9 | -178.7 | 156.1 | 60.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 446 | S | 37.8 | Very low | 41.5 | Very low | 79 Ų | 79 | 137 Ų | 137 | 55% | 0.552 | 78% | 0.776 | S | S | * | * | cis | -160.5 | 161.4 | 34.7 | -54.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 447 | E | 43.4 | Very low | 42 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | 50.8 | 153.7 | 132.2 | 88.3 | -161.7 | 120.3 | 0 | 0 | 121.7 | ||||
| 448 | E | 38.4 | Very low | 41.5 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | cis | -160.2 | -179.8 | -17.3 | -124.8 | -128.1 | 105.6 | 0 | 0 | 108.6 | ||||
| 449 | G | 33.2 | Very low | 41.2 | Very low | 62 Ų | 62 | 136.8 Ų | 136.8 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | trans | 103.2 | 118.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 450 | T | 36.5 | Very low | 40.7 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -129.9 | -169.4 | 159 | 64.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 451 | P | 47.4 | Very low | 39.6 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | -141.5 | -160.3 | -2.8 | 25.1 | 3.4 | 0 | 0 | 0 | 114.6 | ||||
| 452 | I | 33.6 | Very low | 39.2 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | 82.4 | 93.7 | 152.7 | -38.3 | -175.7 | 0 | 0 | 0 | 121.4 | ||||
| 453 | K | 36.3 | Very low | 38.9 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | 62.4 | 151.8 | 119.9 | -133.8 | -174.1 | -177.4 | 177.3 | 0 | 123.7 | |||||
| 454 | T | 32.6 | Very low | 38.8 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | trans | 70.2 | 91.6 | 158.5 | 39.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 455 | N | 30.7 | Very low | 38.3 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | 34.2 | 159.7 | 113.2 | -129.5 | 17.8 | 0 | 0 | 0 | 122.2 | |||||
| 456 | P | 62.4 | Low | 37.9 | Very low | 101 Ų | 101 | 139 Ų | 139 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | -114.2 | -177.7 | -96.3 | 41.6 | -25.5 | 0 | 0 | 0 | 113.1 | |||||
| 457 | P | 46.6 | Very low | 38.2 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | -154.8 | -179.1 | 96.3 | 41.1 | -21.9 | 0 | 0 | 0 | 116.9 | |||||
| 458 | N | 33.7 | Very low | 38.3 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -73.1 | 137.2 | 177 | 172 | 29.7 | 0 | 0 | 0 | 114.8 | ||||
| 459 | R | 36.2 | Very low | 38.7 | Very low | 233 Ų | 233 | 135.4 Ų | 135.4 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | trans | -166.1 | 155.8 | 132 | -118.1 | 176.4 | 168.8 | 168.5 | -2.4 | 117.1 | ||||
| 460 | D | 30.9 | Very low | 39 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | trans | -74.8 | 152.7 | -173.4 | -35.9 | -115.7 | 0 | 0 | 0 | 115.2 | ||||
| 461 | S | 34.9 | Very low | 39.3 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | 173.4 | 130.2 | 107.6 | -79.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 462 | R | 38.6 | Very low | 39.1 | Very low | 221 Ų | 221 | 136.4 Ų | 136.4 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | 43.8 | 126.6 | 129.3 | -50.4 | 171.8 | 168.7 | 173 | -5.6 | 118.2 | |||||
| 463 | L | 39.8 | Very low | 39.6 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | -176.7 | 163.5 | 63.3 | -82 | 179.5 | 0 | 0 | 0 | 107.7 | |||||
| 464 | S | 33.7 | Very low | 39.4 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 57% | 0.573 | 74% | 0.74 | S | S | * | * | cis | 178.9 | 174.7 | -12.8 | 52.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 465 | L | 37.5 | Very low | 39.7 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | 75.6 | 143 | 159.5 | -62.7 | -177.2 | 0 | 0 | 0 | 117.5 | ||||
| 466 | D | 31.3 | Very low | 39.7 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | cis | -165 | 176.9 | -12.5 | -165.9 | -110.2 | 0 | 0 | 0 | 112.1 | ||||
| 467 | S | 45.1 | Very low | 38.3 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | 85.8 | 86.9 | 155.7 | -67.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 468 | E | 45.5 | Very low | 38.6 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -50.7 | -178.4 | 134.3 | 62.9 | -124.5 | 60.3 | 0 | 0 | 113.9 | ||||
| 469 | S | 46.6 | Very low | 38.5 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | cis | -146.8 | -175.8 | 18.9 | -116.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 470 | D | 39.7 | Very low | 38.2 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | cis | -166.5 | 119.2 | 47.6 | -171.4 | -100.3 | 0 | 0 | 0 | 109.8 | ||||
| 471 | S | 42.2 | Very low | 38.2 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | 81.1 | 154.6 | 106.6 | 105.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 472 | S | 43.4 | Very low | 38.6 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | -154.3 | 163 | -0.3 | 15.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 473 | D | 43.2 | Very low | 38.2 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -8.8 | 162.7 | 166.2 | -79 | -97.3 | 0 | 0 | 0 | 123.7 | ||||
| 474 | E | 31.7 | Very low | 38.8 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | cis | -148.5 | 178.9 | 23 | -106.3 | -136.2 | 113 | 0 | 0 | 110.4 | ||||
| 475 | S | 39.1 | Very low | 40.2 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 48% | 0.476 | 75% | 0.746 | S | S | . | * | cis | 175.6 | 176.3 | -25.2 | -175.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 476 | H | 31.9 | Very low | 40.6 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.815 | 74% | 0.74 | S | S | * | * | trans | 51.9 | 165.2 | 161.2 | -67.4 | -15.8 | 0 | 0 | 0 | 124.1 | ||||
| 477 | R | 32.4 | Very low | 40.7 | Very low | 243 Ų | 243 | 133.5 Ų | 133.5 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | trans | -122.6 | -169 | -171.6 | -55.1 | -179.8 | 169.7 | -173 | -2.3 | 110.8 | ||||
| 478 | P | 52.4 | Low | 40 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | cis | -142 | -169.4 | -2.2 | 44 | -22.9 | 0 | 0 | 0 | 117.8 | ||||
| 479 | S | 31.2 | Very low | 39.3 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | -29.1 | 142.4 | 175.9 | -42 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 480 | R | 30.4 | Very low | 38.4 | Very low | 250 Ų | 250 | 136.7 Ų | 136.7 | 94% | 0.943 | 75% | 0.754 | S | S | * | * | -177.3 | 154.6 | 126.5 | -123.9 | -178.7 | 175.4 | 160 | -2.6 | 116.5 | |||||
| 481 | D | 31.3 | Very low | 38.1 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -83.9 | 169.5 | 151.3 | -112.5 | -54.9 | 0 | 0 | 0 | 109.6 | ||||
| 482 | P | 43.7 | Very low | 37.6 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | cis | -146.8 | 162.5 | 20.5 | 42.4 | -21.7 | 0 | 0 | 0 | 120.4 | ||||
| 483 | A | 29.2 | Very low | 37 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | 57.7 | -172.2 | 137.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 484 | P | 54.1 | Low | 36.5 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | -138 | -148.4 | -126.7 | 44.2 | -19.2 | 0 | 0 | 0 | 114.2 | |||||
| 485 | P | 61.2 | Low | 36.6 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | cis | -134 | -12.5 | -18.3 | 28.4 | -7.3 | 0 | 0 | 0 | 123.6 | ||||
| 486 | P | 46.3 | Very low | 36.3 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -115.2 | 124.1 | -119.4 | 37.1 | -26.4 | 0 | 0 | 0 | 121.7 | |||||
| 487 | Q | 34 | Very low | 36.3 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | 83.9 | 153.3 | 129 | -71.7 | -164.4 | -5.1 | 0 | 0 | 126.1 | |||||
| 488 | K | 29.9 | Very low | 36.5 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | 82.5 | 149 | 157.8 | -46.6 | -158.2 | -178 | 177.4 | 0 | 118 | ||||
| 489 | H | 31.9 | Very low | 35.5 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | cis | -177.2 | 141.1 | -39.2 | -107 | -64.1 | 0 | 0 | 0 | 105.7 | ||||
| 490 | G | 27.6 | Very low | 35.5 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | 174.7 | 133.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 491 | S | 32.5 | Very low | 35.8 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -130.3 | 167 | -168.7 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 492 | S | 32.5 | Very low | 35.6 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | 108.7 | 107.3 | 142.7 | -55.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 493 | N | 29.9 | Very low | 35.1 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | 70.8 | 123.2 | 127.6 | -88.4 | -13.5 | 0 | 0 | 0 | 124.3 | |||||
| 494 | N | 33 | Very low | 35 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | 116.2 | 127.8 | 114.9 | -97.8 | -31.1 | 0 | 0 | 0 | 122.7 | |||||
| 495 | K | 34 | Very low | 34.5 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | 77.9 | 102.3 | 142.7 | -73.3 | -175.3 | 176.9 | -178.3 | 0 | 124 | ||||
| 496 | V | 33.4 | Very low | 33.8 | Very low | 132 Ų | 132 | 147.9 Ų | 147.9 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | 54.6 | 120.9 | 115.9 | -179.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 497 | V | 30.1 | Very low | 33.3 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | -165.9 | 161.4 | 122.2 | 139.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 498 | R | 37.4 | Very low | 33.2 | Very low | 233 Ų | 233 | 148 Ų | 148 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -102.6 | 144.8 | -169.5 | -57.8 | 169.2 | 173.3 | 139 | -6.6 | 114 | ||||
| 499 | K | 31.2 | Very low | 34 | Very low | 214 Ų | 214 | 149 Ų | 149 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -169.4 | 169.6 | 135.5 | -107.2 | 163.9 | -175 | -179.9 | 0 | 112.6 | ||||
| 500 | S | 32.5 | Very low | 34.6 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 154.8 | -162.2 | -45.5 | 0 | 0 | 0 | 0 | 117.4 | ||
| 501 | P | 36.3 | Very low | 35.3 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 127.4 | 173.1 | 32.8 | -32.9 | 0 | 0 | 0 | 112.2 | ||
| 502 | D | 26.5 | Very low | 35.9 | Very low | 147 Ų | 147 | 152 Ų | 152 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 148.8 | 154.8 | -157.6 | -45.6 | 0 | 0 | 0 | 108 | S504 | D502-S504 PolarHBondContact O-N 3.4Š|
| 503 | S | 33 | Very low | 36.2 | Very low | 98 Ų | 98 | 155.3 Ų | 155.3 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -78.6 | 96.6 | -169 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | F505 | S503-F505 PolarHBondContact O-N 2.65Å; S503-F505 VanDerWaalsContact O-N 3.12Å | ||
| 504 | S | 26.9 | Very low | 36.7 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 100.4 | -170.6 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | D502 R506 | D502-S504 PolarHBondContact O-N 3.4Å; S504-R506 PolarHBondContact O-N 2.95Å | ||
| 505 | F | 44.2 | Very low | 37.2 | Very low | 209 Ų | 209 | 154.3 Ų | 154.3 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -74.9 | 62.8 | 159.5 | -92.3 | -74.5 | 0 | 0 | 0 | 112.1 | S503 | S503-F505 PolarHBondContact O-N 2.65Å; S503-F505 VanDerWaalsContact O-N 3.12Å | ||
| 506 | R | 45.4 | Very low | 38.2 | Very low | 222 Ų | 222 | 149.6 Ų | 149.6 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -172.4 | 147.7 | 158.4 | -107.8 | 162.7 | -165 | -129.2 | 2.9 | 111 | S504 | S504-R506 PolarHBondContact O-N 2.95Š| ||
| 507 | S | 36.1 | Very low | 39.4 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 91.4 | 65 | 169.6 | -49.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 508 | E | 32.2 | Very low | 40.9 | Very low | 148 Ų | 148 | 148.8 Ų | 148.8 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -144.9 | 70.8 | 142.3 | -145.8 | 176.9 | 120.4 | 0 | 0 | 113.3 | ||||
| 509 | K | 48.3 | Very low | 42.6 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | trans | -82.4 | 145.8 | 158.4 | -162.3 | 174.9 | -175.8 | 179.5 | 0 | 106.9 | ||||
| 510 | V | 43.8 | Very low | 44.7 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 81% | 0.806 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 92.2 | 13.6 | 175.3 | -161.2 | 0 | 0 | 0 | 0 | 117.9 | ||
| 511 | M | 42.4 | Very low | 47 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 71% | 0.714 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -109.4 | -26.3 | 152.8 | -87.7 | 66.1 | 176.2 | 0 | 0 | 113.3 | K513 | M511-K513 PolarHBondContact O-N 2.89Š|
| 512 | K | 43.8 | Very low | 49.3 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 69.4 | -172.4 | -162.6 | 175.3 | 176.9 | 176.3 | 0 | 113.8 | D516 | K512-D516 WeakPolarHBondContact CE-OD1 3.47Å; K512-D516 WeakPolarHBondContact CE-OD2 3.25Å; K512-D516 IonicContact NZ-OD1 2.66Å |
| 513 | K | 39.1 | Very low | 52.2 | Low | 176 Ų | 176 | 126.4 Ų | 126.4 | 77% | 0.765 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | -9.9 | 170.6 | -154.9 | 171.6 | -176.4 | 179.8 | 0 | 115.1 | M511 | M511-K513 PolarHBondContact O-N 2.89Š|
| 514 | G | 40.7 | Very low | 54.8 | Low | 45 Ų | 45 | 126.7 Ų | 126.7 | 46% | 0.464 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -87.5 | -62.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D516 K517 V518 | G514-D516 VanDerWaalsContact C-N 3.32Å; G514-D516 PolarHBondContact O-N 2.7Å; G514-K517 WeakPolarHBondContact O-CB 3.44Å; G514-K517 PolarHBondContact O-N 2.94Å; G514-V518 PolarHBondContact O-N 2.85Å |
| 515 | Y | 44.6 | Very low | 57.8 | Low | 206 Ų | 206 | 126.1 Ų | 126.1 | 81% | 0.808 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -57.6 | -37.7 | -175.3 | -79.5 | -86.7 | 0 | 0 | 0 | 114.2 | K517 V518 G519 | Y515-K517 PolarHBondContact O-N 3.1Å; Y515-K517 VanDerWaalsContact O-N 3.16Å; Y515-V518 PolarHBondContact O-N 2.98Å; Y515-G519 PolarHBondContact O-N 2.68Å |
| 516 | D | 54.2 | Low | 60 | Low | 79 Ų | 79 | 116.3 Ų | 116.3 | 42% | 0.422 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.4 | -14.9 | 176.8 | -76.7 | 9.9 | 0 | 0 | 0 | 114.2 | K512 G514 R520 | K512-D516 WeakPolarHBondContact CE-OD1 3.47Å; K512-D516 WeakPolarHBondContact CE-OD2 3.25Å; K512-D516 IonicContact NZ-OD1 2.66Å; G514-D516 VanDerWaalsContact C-N 3.32Å; G514-D516 PolarHBondContact O-N 2.7Å; D516-R520 WeakPolarHBondContact O-CB 3.44Å |
| 517 | K | 59.3 | Low | 62.2 | Low | 149 Ų | 149 | 110 Ų | 110 | 65% | 0.648 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -86.3 | -44 | 171.6 | -72.4 | -168.2 | 167.2 | -160.1 | 0 | 112.1 | G514 Y515 R520 A521 | G514-K517 WeakPolarHBondContact O-CB 3.44Å; G514-K517 PolarHBondContact O-N 2.94Å; Y515-K517 PolarHBondContact O-N 3.1Å; Y515-K517 VanDerWaalsContact O-N 3.16Å; K517-R520 PolarHBondContact O-N 2.92Å; K517-A521 WeakPolarHBondContact O-CB 3.44Å; K517-A521 PolarHBondContact O-N 3.26Å |
| 518 | V | 61.2 | Low | 64.8 | Low | 107 Ų | 107 | 107.6 Ų | 107.6 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -44.7 | -179.7 | -176 | 0 | 0 | 0 | 0 | 110.5 | G514 Y515 R520 A521 Y522 | G514-V518 PolarHBondContact O-N 2.85Å; Y515-V518 PolarHBondContact O-N 2.98Å; V518-R520 VanDerWaalsContact C-N 3.31Å; V518-R520 PolarHBondContact O-N 2.78Å; V518-A521 PolarHBondContact O-N 2.76Å; V518-Y522 PolarHBondContact O-N 3.1Å |
| 519 | G | 73.4 | Confident | 67.7 | Low | 41 Ų | 41 | 100.6 Ų | 100.6 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y515 T523 | Y515-G519 PolarHBondContact O-N 2.68Å; G519-T523 WeakPolarHBondContact O-CG2 3.42Å; G519-T523 PolarHBondContact O-N 3.1Å; G519-T523 PolarHBondContact O-OG1 2.89Å |
| 520 | R | 75.1 | Confident | 69.7 | Low | 154 Ų | 154 | 95.8 Ų | 95.8 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -49.9 | 173.8 | 174.3 | -173.8 | -64.5 | -95.4 | -2 | 112.1 | D516 K517 V518 Y522 T523 E524 | D516-R520 WeakPolarHBondContact O-CB 3.44Å; K517-R520 PolarHBondContact O-N 2.92Å; V518-R520 VanDerWaalsContact C-N 3.31Å; V518-R520 PolarHBondContact O-N 2.78Å; R520-Y522 VanDerWaalsContact C-N 3.27Å; R520-Y522 PolarHBondContact O-N 3Å; R520-T523 WeakPolarHBondContact CA-OG1 3.48Å; R520-T523 PolarHBondContact O-N 3.2Å; R520-T523 PolarHBondContact O-OG1 3.15Å; R520-E524 VanDerWaalsContact CD-OE1 3.29Å; R520-E524 WeakPolarHBondContact CD-OE1 3.46Å; R520-E524 HydrophobicContact CG-CG 4.33Å; R520-E524 WeakPolarHBondContact CG-OE1 3.48Å; R520-E524 IonicContact NH1-OE1 3.92Å; R520-E524 WeakPolarHBondContact O-CG 3.45Å; R520-E524 PolarHBondContact O-N 2.84Å |
| 521 | A | 80.1 | Confident | 72 | Confident | 41 Ų | 41 | 96 Ų | 96 | 34% | 0.339 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K517 V518 T523 E524 E525 | K517-A521 WeakPolarHBondContact O-CB 3.44Å; K517-A521 PolarHBondContact O-N 3.26Å; V518-A521 PolarHBondContact O-N 2.76Å; A521-T523 PolarHBondContact O-N 3.48Å; A521-E524 PolarHBondContact O-N 3.47Å; A521-E524 VanDerWaalsContact O-N 3.16Å; A521-E525 WeakPolarHBondContact O-CG 3.44Å; A521-E525 PolarHBondContact O-N 3.3Å |
| 522 | Y | 85.6 | Confident | 74.3 | Confident | 75 Ų | 75 | 93 Ų | 93 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 174.8 | -172.7 | -113.4 | 0 | 0 | 0 | 113 | V518 R520 E524 E525 L526 V574 | V518-Y522 PolarHBondContact O-N 3.1Å; R520-Y522 VanDerWaalsContact C-N 3.27Å; R520-Y522 PolarHBondContact O-N 3Å; Y522-E524 VanDerWaalsContact C-N 3.32Å; Y522-E524 PolarHBondContact O-N 2.76Å; Y522-E525 PolarHBondContact O-N 2.87Å; Y522-L526 HydrophobicContact CD1-CD1 4.16Å; Y522-L526 HydrophobicContact CD1-CG 4.44Å; Y522-L526 HydrophobicContact CE1-CD1 3.69Å; Y522-L526 HydrophobicContact CE1-CG 4.13Å; Y522-L526 HydrophobicContact CE2-CD2 4.4Å; Y522-L526 HydrophobicContact CE2-CG 4.48Å; Y522-L526 WeakPolarHBondContact O-CG 3.47Å; Y522-L526 PolarHBondContact O-N 2.92Å; Y522-V574 HydrophobicContact CE2-CG1 4.42Å |
| 523 | T | 86.9 | Confident | 76.6 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 34% | 0.344 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -33.6 | 173.3 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | G519 R520 A521 L526 V527 F567 | G519-T523 WeakPolarHBondContact O-CG2 3.42Å; G519-T523 PolarHBondContact O-N 3.1Å; G519-T523 PolarHBondContact O-OG1 2.89Å; R520-T523 WeakPolarHBondContact CA-OG1 3.48Å; R520-T523 PolarHBondContact O-N 3.2Å; R520-T523 PolarHBondContact O-OG1 3.15Å; A521-T523 PolarHBondContact O-N 3.48Å; T523-L526 PolarHBondContact O-N 3.41Å; T523-V527 WeakPolarHBondContact O-CG2 3.46Å; T523-V527 PolarHBondContact O-N 2.97Å; T523-V527 VanDerWaalsContact O-N 3.08Å; T523-F567 HydrophobicContact CG2-CE1 3.98Å; T523-F567 HydrophobicContact CG2-CZ 4.15Å |
| 524 | E | 87.6 | Confident | 79 | Confident | 104 Ų | 104 | 84.9 Ų | 84.9 | 49% | 0.486 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.5 | -41.2 | 176 | -71.8 | 164.9 | -176 | 0 | 0 | 110.1 | R520 A521 Y522 L526 V527 D528 | R520-E524 VanDerWaalsContact CD-OE1 3.29Å; R520-E524 WeakPolarHBondContact CD-OE1 3.46Å; R520-E524 HydrophobicContact CG-CG 4.33Å; R520-E524 WeakPolarHBondContact CG-OE1 3.48Å; R520-E524 IonicContact NH1-OE1 3.92Å; R520-E524 WeakPolarHBondContact O-CG 3.45Å; R520-E524 PolarHBondContact O-N 2.84Å; A521-E524 PolarHBondContact O-N 3.47Å; A521-E524 VanDerWaalsContact O-N 3.16Å; Y522-E524 VanDerWaalsContact C-N 3.32Å; Y522-E524 PolarHBondContact O-N 2.76Å; E524-L526 PolarHBondContact O-N 3.14Å; E524-V527 PolarHBondContact O-N 2.94Å; E524-D528 PolarHBondContact O-N 3.24Å |
| 525 | E | 89.4 | Confident | 81.4 | Confident | 92 Ų | 92 | 86 Ų | 86 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 170.2 | -74.6 | 175.4 | -140.1 | 0 | 0 | 113.1 | A521 Y522 D528 L529 | A521-E525 WeakPolarHBondContact O-CG 3.44Å; A521-E525 PolarHBondContact O-N 3.3Å; Y522-E525 PolarHBondContact O-N 2.87Å; E525-D528 PolarHBondContact O-N 3.49Å; E525-L529 VanDerWaalsContact O-CB 3.28Å; E525-L529 WeakPolarHBondContact O-CB 3.38Å; E525-L529 PolarHBondContact O-N 3.13Å |
| 526 | L | 91.2 | Very high | 83.6 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.4 | -35.5 | 176.7 | -72.2 | -173.6 | 0 | 0 | 0 | 112.5 | Y522 T523 E524 L529 H530 L566 F567 V574 | Y522-L526 HydrophobicContact CD1-CD1 4.16Å; Y522-L526 HydrophobicContact CD1-CG 4.44Å; Y522-L526 HydrophobicContact CE1-CD1 3.69Å; Y522-L526 HydrophobicContact CE1-CG 4.13Å; Y522-L526 HydrophobicContact CE2-CD2 4.4Å; Y522-L526 HydrophobicContact CE2-CG 4.48Å; Y522-L526 WeakPolarHBondContact O-CG 3.47Å; Y522-L526 PolarHBondContact O-N 2.92Å; T523-L526 PolarHBondContact O-N 3.41Å; E524-L526 PolarHBondContact O-N 3.14Å; L526-L529 HydrophobicContact CD2-CD2 4.22Å; L526-L529 PolarHBondContact O-N 3.13Å; L526-H530 WeakPolarHBondContact O-CB 3.29Å; L526-H530 PolarHBondContact O-N 3.25Å; L526-L566 HydrophobicContact CD1-CB 4.5Å; L526-L566 HydrophobicContact CD2-CB 4.23Å; L526-L566 WeakPolarHBondContact O-CD1 3.46Å; L526-F567 HydrophobicContact CD1-CD1 3.96Å; L526-F567 HydrophobicContact CD1-CE1 3.77Å; L526-F567 HydrophobicContact CD1-CE2 4.49Å; L526-F567 HydrophobicContact CD1-CG 4.41Å; L526-F567 HydrophobicContact CD1-CZ 4.06Å; L526-V574 HydrophobicContact CD2-CG1 3.64Å; L526-V574 HydrophobicContact CD2-CG2 4.34Å |
| 527 | V | 91.2 | Very high | 85.2 | Confident | 90 Ų | 90 | 84.7 Ų | 84.7 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 173.9 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | T523 E524 H530 R531 | T523-V527 WeakPolarHBondContact O-CG2 3.46Å; T523-V527 PolarHBondContact O-N 2.97Å; T523-V527 VanDerWaalsContact O-N 3.08Å; E524-V527 PolarHBondContact O-N 2.94Å; V527-H530 PolarHBondContact O-N 2.97Å; V527-R531 PolarHBondContact O-N 3.08Å |
| 528 | D | 91.1 | Very high | 86.8 | Confident | 67 Ų | 67 | 82 Ų | 82 | 36% | 0.358 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 173.5 | -91.7 | 29 | 0 | 0 | 0 | 112.7 | E524 E525 R531 R532 | E524-D528 PolarHBondContact O-N 3.24Å; E525-D528 PolarHBondContact O-N 3.49Å; D528-R531 IonicContact OD1-CZ 3.15Å; D528-R531 VanDerWaalsContact OD1-CZ 3.23Å; D528-R531 IonicContact OD1-NH1 3.3Å; D528-R531 PolarHBondContact OD1-NH1 2.93Å; D528-R531 IonicContact OD1-NH2 2.88Å; D528-R531 PolarHBondContact OD1-NH2 3.47Å; D528-R531 IonicContact OD2-CZ 2.77Å; D528-R531 IonicContact OD2-NH2 2.69Å; D528-R531 PolarHBondContact OD2-NH2 3.46Å; D528-R532 WeakPolarHBondContact O-CG 3.36Å; D528-R532 PolarHBondContact O-N 3.07Å; D528-R532 VanDerWaalsContact O-N 3.07Å |
| 529 | L | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.3 | -47.7 | 171.4 | 179 | 59.1 | 0 | 0 | 0 | 111.2 | E525 L526 R531 R532 L533 L566 V574 L577 Q578 L581 | E525-L529 VanDerWaalsContact O-CB 3.28Å; E525-L529 WeakPolarHBondContact O-CB 3.38Å; E525-L529 PolarHBondContact O-N 3.13Å; L526-L529 HydrophobicContact CD2-CD2 4.22Å; L526-L529 PolarHBondContact O-N 3.13Å; L529-R531 VanDerWaalsContact C-N 3.35Å; L529-R531 PolarHBondContact O-N 3.2Å; L529-R532 PolarHBondContact O-N 3.38Å; L529-L533 HydrophobicContact CD1-CD1 4.23Å; L529-L533 HydrophobicContact CD1-CG 4.28Å; L529-L533 HydrophobicContact CG-CD1 3.99Å; L529-L533 HydrophobicContact CG-CG 4.49Å; L529-L533 WeakPolarHBondContact O-CB 3.45Å; L529-L533 VanDerWaalsContact O-CG 3.31Å; L529-L533 WeakPolarHBondContact O-CG 3.06Å; L529-L533 PolarHBondContact O-N 3.04Å; L529-L566 HydrophobicContact CB-CD1 4.44Å; L529-L566 HydrophobicContact CD2-CD1 4.31Å; L529-L566 HydrophobicContact CD2-CD2 3.89Å; L529-L566 HydrophobicContact CG-CD1 4.27Å; L529-L566 HydrophobicContact CG-CD2 4.39Å; L529-V574 HydrophobicContact CD2-CG1 3.81Å; L529-L577 HydrophobicContact CD1-CB 4.17Å; L529-L577 HydrophobicContact CD2-CB 4.33Å; L529-L577 HydrophobicContact CD2-CD1 4.46Å; L529-Q578 HydrophobicContact CD1-CG 4.12Å; L529-Q578 HydrophobicContact CD2-CG 4.31Å; L529-L581 HydrophobicContact CD1-CD1 3.38Å |
| 530 | H | 91.8 | Very high | 89.1 | Confident | 98 Ų | 98 | 91 Ų | 91 | 45% | 0.454 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57 | -45.8 | 175.2 | 173.1 | 78.7 | 0 | 0 | 0 | 112 | L526 V527 R532 L533 M534 L566 | L526-H530 WeakPolarHBondContact O-CB 3.29Å; L526-H530 PolarHBondContact O-N 3.25Å; V527-H530 PolarHBondContact O-N 2.97Å; H530-R532 PolarHBondContact O-N 3.03Å; H530-L533 PolarHBondContact O-N 3.46Å; H530-M534 WeakPolarHBondContact O-CB 3.29Å; H530-M534 WeakPolarHBondContact O-CG 3.42Å; H530-M534 PolarHBondContact O-N 3.16Å; H530-L566 HydrophobicContact CB-CD1 3.88Å |
| 531 | R | 91.9 | Very high | 89.8 | Confident | 137 Ų | 137 | 84.3 Ų | 84.3 | 52% | 0.517 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 176.6 | -175.8 | 176.5 | 65.6 | -100.7 | 2.3 | 112.1 | V527 D528 L529 A535 | V527-R531 PolarHBondContact O-N 3.08Å; D528-R531 IonicContact OD1-CZ 3.15Å; D528-R531 VanDerWaalsContact OD1-CZ 3.23Å; D528-R531 IonicContact OD1-NH1 3.3Å; D528-R531 PolarHBondContact OD1-NH1 2.93Å; D528-R531 IonicContact OD1-NH2 2.88Å; D528-R531 PolarHBondContact OD1-NH2 3.47Å; D528-R531 IonicContact OD2-CZ 2.77Å; D528-R531 IonicContact OD2-NH2 2.69Å; D528-R531 PolarHBondContact OD2-NH2 3.46Å; L529-R531 VanDerWaalsContact C-N 3.35Å; L529-R531 PolarHBondContact O-N 3.2Å; R531-A535 WeakPolarHBondContact O-CB 3.44Å; R531-A535 PolarHBondContact O-N 3.47Å; R531-A535 VanDerWaalsContact O-N 3.15Å |
| 532 | R | 91.1 | Very high | 90.4 | Very high | 81 Ų | 81 | 85.6 Ų | 85.6 | 31% | 0.306 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 175.4 | -76.4 | -173 | -79.9 | 173.7 | -6 | 111.8 | D528 L529 H530 A535 L536 L581 E582 | D528-R532 WeakPolarHBondContact O-CG 3.36Å; D528-R532 PolarHBondContact O-N 3.07Å; D528-R532 VanDerWaalsContact O-N 3.07Å; L529-R532 PolarHBondContact O-N 3.38Å; H530-R532 PolarHBondContact O-N 3.03Å; R532-A535 PolarHBondContact O-N 3.38Å; R532-L536 PolarHBondContact O-N 2.71Å; R532-L536 VanDerWaalsContact O-N 3.11Å; R532-L581 HydrophobicContact CB-CD1 3.98Å; R532-L581 HydrophobicContact CB-CD2 4.48Å; R532-E582 IonicContact CZ-OE1 3.23Å; R532-E582 IonicContact NH1-OE1 2.9Å; R532-E582 PolarHBondContact NH1-OE1 3.27Å; R532-E582 IonicContact NH2-OE1 2.68Å |
| 533 | L | 91.8 | Very high | 90.6 | Very high | 21 Ų | 21 | 86.9 Ų | 86.9 | 11% | 0.11 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.7 | -72.8 | 167 | 0 | 0 | 0 | 112.3 | L529 H530 A535 L536 I545 F564 L566 L581 | L529-L533 HydrophobicContact CD1-CD1 4.23Å; L529-L533 HydrophobicContact CD1-CG 4.28Å; L529-L533 HydrophobicContact CG-CD1 3.99Å; L529-L533 HydrophobicContact CG-CG 4.49Å; L529-L533 WeakPolarHBondContact O-CB 3.45Å; L529-L533 VanDerWaalsContact O-CG 3.31Å; L529-L533 WeakPolarHBondContact O-CG 3.06Å; L529-L533 PolarHBondContact O-N 3.04Å; H530-L533 PolarHBondContact O-N 3.46Å; L533-A535 VanDerWaalsContact C-N 3.27Å; L533-A535 PolarHBondContact O-N 3.09Å; L533-L536 WeakPolarHBondContact O-CB 3.35Å; L533-L536 PolarHBondContact O-N 2.88Å; L533-I545 HydrophobicContact CD2-CD1 3.75Å; L533-I545 HydrophobicContact CD2-CG1 4.46Å; L533-I545 HydrophobicContact CD2-CG2 4.16Å; L533-F564 HydrophobicContact CD1-CE2 4.08Å; L533-F564 HydrophobicContact CD1-CZ 3.95Å; L533-F564 HydrophobicContact CD2-CZ 4.45Å; L533-L566 HydrophobicContact CD1-CD1 4.45Å; L533-L566 HydrophobicContact CD1-CD2 4.09Å; L533-L581 HydrophobicContact CD2-CD1 3.87Å; L533-L581 HydrophobicContact CD2-CD2 4.48Å; L533-L581 HydrophobicContact CG-CD1 3.96Å |
| 534 | M | 89.4 | Confident | 90.8 | Very high | 136 Ų | 136 | 88.6 Ų | 88.6 | 67% | 0.67 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72 | -19 | -180 | -67.5 | -66 | 147.9 | 0 | 0 | 113.7 | H530 | H530-M534 WeakPolarHBondContact O-CB 3.29Å; H530-M534 WeakPolarHBondContact O-CG 3.42Å; H530-M534 PolarHBondContact O-N 3.16Å |
| 535 | A | 91.2 | Very high | 91 | Very high | 70 Ų | 70 | 84 Ų | 84 | 58% | 0.579 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -88.6 | -16.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R531 R532 L533 R537 | R531-A535 WeakPolarHBondContact O-CB 3.44Å; R531-A535 PolarHBondContact O-N 3.47Å; R531-A535 VanDerWaalsContact O-N 3.15Å; R532-A535 PolarHBondContact O-N 3.38Å; L533-A535 VanDerWaalsContact C-N 3.27Å; L533-A535 PolarHBondContact O-N 3.09Å; A535-R537 PolarHBondContact O-N 3.35Å |
| 536 | L | 89.5 | Confident | 91.1 | Very high | 25 Ų | 25 | 81.6 Ų | 81.6 | 13% | 0.131 | 39% | 0.386 | C | S | . | . | trans | -68.3 | 126.2 | -174.1 | -174 | 69 | 0 | 0 | 0 | 111.5 | R532 L533 E538 V541 L542 I545 L581 | R532-L536 PolarHBondContact O-N 2.71Å; R532-L536 VanDerWaalsContact O-N 3.11Å; L533-L536 WeakPolarHBondContact O-CB 3.35Å; L533-L536 PolarHBondContact O-N 2.88Å; L536-E538 HydrophobicContact CD1-CB 4.07Å; L536-E538 HydrophobicContact CD1-CG 4.45Å; L536-V541 HydrophobicContact CD2-CB 4.19Å; L536-V541 HydrophobicContact CD2-CG1 3.92Å; L536-L542 HydrophobicContact CB-CD2 4.37Å; L536-L542 HydrophobicContact CD2-CD2 3.85Å; L536-L542 HydrophobicContact CD2-CG 3.78Å; L536-L542 HydrophobicContact CG-CD2 4.22Å; L536-L542 HydrophobicContact CG-CG 4.05Å; L536-I545 HydrophobicContact CD2-CD1 3.49Å; L536-I545 VanDerWaalsContact CD2-CD1 3.49Å; L536-L581 HydrophobicContact CB-CD2 4.29Å; L536-L581 HydrophobicContact CD1-CD2 4.09Å; L536-L581 HydrophobicContact CD2-CD2 3.86Å; L536-L581 HydrophobicContact CG-CD2 4.3Å | ||
| 537 | R | 89.4 | Confident | 91.1 | Very high | 231 Ų | 231 | 85.4 Ų | 85.4 | 87% | 0.872 | 41% | 0.406 | S | S | * | . | trans | -114.3 | -5.1 | 176.2 | -62.4 | -175.9 | 179.3 | -160.7 | -2.3 | 113.7 | A535 R539 | A535-R537 PolarHBondContact O-N 3.35Å; R537-R539 PolarHBondContact O-N 2.84Å | ||
| 538 | E | 92.6 | Very high | 91.1 | Very high | 92 Ų | 92 | 81.4 Ų | 81.4 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | trans | -77 | 107.6 | -175.6 | -70.9 | -171.4 | -134 | 0 | 0 | 111.9 | L536 N540 V541 L542 T584 | L536-E538 HydrophobicContact CD1-CB 4.07Å; L536-E538 HydrophobicContact CD1-CG 4.45Å; E538-N540 PolarHBondContact O-N 2.98Å; E538-N540 VanDerWaalsContact O-N 3.16Å; E538-V541 HydrophobicContact CB-CB 4.37Å; E538-V541 PolarHBondContact O-N 3.37Å; E538-V541 VanDerWaalsContact O-N 3.14Å; E538-L542 WeakPolarHBondContact O-CB 3.45Å; E538-L542 WeakPolarHBondContact O-CG 3.41Å; E538-L542 PolarHBondContact O-N 2.81Å; E538-T584 WeakPolarHBondContact OE1-CB 3.45Å; E538-T584 WeakPolarHBondContact OE1-CG2 3.46Å; E538-T584 WeakPolarHBondContact OE2-CG2 3.37Å | ||
| 539 | R | 90.4 | Very high | 91.2 | Very high | 211 Ų | 211 | 78.2 Ų | 78.2 | 80% | 0.796 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -53.7 | -37.9 | -176.3 | -162.6 | -179.5 | -154.1 | 137.4 | 7.6 | 113.7 | R537 Q543 | R537-R539 PolarHBondContact O-N 2.84Å; R539-Q543 WeakPolarHBondContact O-CB 3.45Å; R539-Q543 PolarHBondContact O-N 2.91Å |
| 540 | N | 92.6 | Very high | 91 | Very high | 128 Ų | 128 | 82.6 Ų | 82.6 | 68% | 0.684 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.6 | -44.4 | -178 | -60.3 | -19 | 0 | 0 | 0 | 111.3 | E538 Q543 Q544 | E538-N540 PolarHBondContact O-N 2.98Å; E538-N540 VanDerWaalsContact O-N 3.16Å; N540-Q543 PolarHBondContact O-N 2.78Å; N540-Q544 WeakPolarHBondContact O-CG 3.49Å; N540-Q544 PolarHBondContact O-N 3Å |
| 541 | V | 89.9 | Confident | 90.8 | Very high | 13 Ų | 13 | 83.9 Ų | 83.9 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -80.6 | -35.1 | -177.2 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | L536 E538 Q543 Q544 I545 T584 | L536-V541 HydrophobicContact CD2-CB 4.19Å; L536-V541 HydrophobicContact CD2-CG1 3.92Å; E538-V541 HydrophobicContact CB-CB 4.37Å; E538-V541 PolarHBondContact O-N 3.37Å; E538-V541 VanDerWaalsContact O-N 3.14Å; V541-Q543 VanDerWaalsContact C-N 3.29Å; V541-Q543 PolarHBondContact O-N 2.8Å; V541-Q544 PolarHBondContact O-N 3.38Å; V541-I545 HydrophobicContact CG1-CD1 4.01Å; V541-I545 WeakPolarHBondContact O-CB 3.35Å; V541-I545 WeakPolarHBondContact O-CD1 3.49Å; V541-I545 VanDerWaalsContact O-CG1 3.29Å; V541-I545 WeakPolarHBondContact O-CG1 3.3Å; V541-I545 PolarHBondContact O-N 2.81Å; V541-T584 HydrophobicContact CB-CG2 4.13Å; V541-T584 HydrophobicContact CG1-CG2 4.15Å; V541-T584 HydrophobicContact CG2-CG2 3.56Å |
| 542 | L | 91.4 | Very high | 90.6 | Very high | 67 Ų | 67 | 77.6 Ų | 77.6 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -54.9 | -43.8 | 165.3 | -76.1 | 166.4 | 0 | 0 | 0 | 111.5 | L536 E538 I545 V546 | L536-L542 HydrophobicContact CB-CD2 4.37Å; L536-L542 HydrophobicContact CD2-CD2 3.85Å; L536-L542 HydrophobicContact CD2-CG 3.78Å; L536-L542 HydrophobicContact CG-CD2 4.22Å; L536-L542 HydrophobicContact CG-CG 4.05Å; E538-L542 WeakPolarHBondContact O-CB 3.45Å; E538-L542 WeakPolarHBondContact O-CG 3.41Å; E538-L542 PolarHBondContact O-N 2.81Å; L542-I545 PolarHBondContact O-N 3.48Å; L542-V546 WeakPolarHBondContact O-CB 3.32Å; L542-V546 VanDerWaalsContact O-CG2 3.3Å; L542-V546 WeakPolarHBondContact O-CG2 3.4Å; L542-V546 PolarHBondContact O-N 3.43Å |
| 543 | Q | 90.7 | Very high | 90.1 | Very high | 103 Ų | 103 | 73.8 Ų | 73.8 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 176.9 | -168.1 | 65.6 | 65.5 | 0 | 0 | 112.4 | R539 N540 V541 I545 V546 N547 | R539-Q543 WeakPolarHBondContact O-CB 3.45Å; R539-Q543 PolarHBondContact O-N 2.91Å; N540-Q543 PolarHBondContact O-N 2.78Å; V541-Q543 VanDerWaalsContact C-N 3.29Å; V541-Q543 PolarHBondContact O-N 2.8Å; Q543-I545 VanDerWaalsContact C-N 3.34Å; Q543-V546 PolarHBondContact O-N 2.6Å; Q543-N547 PolarHBondContact NE2-OD1 2.85Å; Q543-N547 WeakPolarHBondContact O-CB 3.43Å; Q543-N547 PolarHBondContact O-N 2.68Å; Q543-N547 PolarHBondContact O-OD1 2.85Å |
| 544 | Q | 90.4 | Very high | 89.7 | Confident | 92 Ų | 92 | 75.8 Ų | 75.8 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 173.9 | -73.3 | 173.8 | -14.4 | 0 | 0 | 112 | N540 V541 L548 Y580 | N540-Q544 WeakPolarHBondContact O-CG 3.49Å; N540-Q544 PolarHBondContact O-N 3Å; V541-Q544 PolarHBondContact O-N 3.38Å; Q544-L548 WeakPolarHBondContact O-CB 3.3Å; Q544-L548 PolarHBondContact O-N 3.03Å; Q544-Y580 HydrophobicContact CB-CD2 4.28Å; Q544-Y580 HydrophobicContact CB-CE2 4.18Å |
| 545 | I | 92.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -50 | 174.5 | -71.5 | 159.8 | 0 | 0 | 0 | 110.6 | L533 L536 V541 L542 Q543 N547 L548 I549 F564 L577 Y580 L581 | L533-I545 HydrophobicContact CD2-CD1 3.75Å; L533-I545 HydrophobicContact CD2-CG1 4.46Å; L533-I545 HydrophobicContact CD2-CG2 4.16Å; L536-I545 HydrophobicContact CD2-CD1 3.49Å; L536-I545 VanDerWaalsContact CD2-CD1 3.49Å; V541-I545 HydrophobicContact CG1-CD1 4.01Å; V541-I545 WeakPolarHBondContact O-CB 3.35Å; V541-I545 WeakPolarHBondContact O-CD1 3.49Å; V541-I545 VanDerWaalsContact O-CG1 3.29Å; V541-I545 WeakPolarHBondContact O-CG1 3.3Å; V541-I545 PolarHBondContact O-N 2.81Å; L542-I545 PolarHBondContact O-N 3.48Å; Q543-I545 VanDerWaalsContact C-N 3.34Å; I545-N547 VanDerWaalsContact C-N 3.34Å; I545-N547 PolarHBondContact O-N 2.94Å; I545-L548 PolarHBondContact O-N 3.46Å; I545-I549 HydrophobicContact CG2-CG1 4.4Å; I545-I549 VanDerWaalsContact O-CG1 3.3Å; I545-I549 WeakPolarHBondContact O-CG1 3.45Å; I545-I549 PolarHBondContact O-N 3Å; I545-F564 HydrophobicContact CG2-CE1 4.34Å; I545-F564 HydrophobicContact CG2-CZ 4.12Å; I545-L577 HydrophobicContact CB-CD2 4.25Å; I545-L577 HydrophobicContact CG1-CD2 3.94Å; I545-L577 HydrophobicContact CG2-CD2 3.78Å; I545-Y580 HydrophobicContact CG1-CD2 4.33Å; I545-L581 HydrophobicContact CD1-CD2 4.3Å |
| 546 | V | 91.9 | Very high | 89.5 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 26% | 0.261 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 177.7 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | L542 Q543 L548 I549 E550 F562 | L542-V546 WeakPolarHBondContact O-CB 3.32Å; L542-V546 VanDerWaalsContact O-CG2 3.3Å; L542-V546 WeakPolarHBondContact O-CG2 3.4Å; L542-V546 PolarHBondContact O-N 3.43Å; Q543-V546 PolarHBondContact O-N 2.6Å; V546-L548 PolarHBondContact O-N 3.22Å; V546-I549 PolarHBondContact O-N 3.41Å; V546-E550 WeakPolarHBondContact O-CB 3.37Å; V546-E550 PolarHBondContact O-N 2.87Å; V546-F562 HydrophobicContact CB-CE1 4.39Å; V546-F562 HydrophobicContact CB-CZ 4.45Å; V546-F562 HydrophobicContact CG1-CD2 4.44Å; V546-F562 HydrophobicContact CG1-CE1 4.39Å; V546-F562 HydrophobicContact CG1-CE2 4.06Å; V546-F562 HydrophobicContact CG1-CZ 4.03Å; V546-F562 HydrophobicContact CG2-CD1 3.96Å; V546-F562 HydrophobicContact CG2-CE1 4.03Å; V546-F562 HydrophobicContact CG2-CG 4.35Å; V546-F562 HydrophobicContact CG2-CZ 4.48Å |
| 547 | N | 91 | Very high | 89.4 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 177.9 | -67.4 | 8 | 0 | 0 | 0 | 111.8 | Q543 I545 I549 E550 E551 | Q543-N547 PolarHBondContact NE2-OD1 2.85Å; Q543-N547 WeakPolarHBondContact O-CB 3.43Å; Q543-N547 PolarHBondContact O-N 2.68Å; Q543-N547 PolarHBondContact O-OD1 2.85Å; I545-N547 VanDerWaalsContact C-N 3.34Å; I545-N547 PolarHBondContact O-N 2.94Å; N547-I549 PolarHBondContact O-N 2.92Å; N547-E550 PolarHBondContact O-N 2.87Å; N547-E550 VanDerWaalsContact O-N 3.15Å; N547-E551 PolarHBondContact O-N 2.87Å |
| 548 | L | 91.7 | Very high | 89.3 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 178.4 | 173.3 | 62.9 | 0 | 0 | 0 | 112.4 | Q544 I545 V546 E550 E551 T552 T573 K576 L577 Y580 | Q544-L548 WeakPolarHBondContact O-CB 3.3Å; Q544-L548 PolarHBondContact O-N 3.03Å; I545-L548 PolarHBondContact O-N 3.46Å; V546-L548 PolarHBondContact O-N 3.22Å; L548-E550 VanDerWaalsContact C-N 3.34Å; L548-E551 WeakPolarHBondContact O-CB 3.41Å; L548-E551 PolarHBondContact O-N 3.2Å; L548-T552 PolarHBondContact O-N 3.44Å; L548-T573 HydrophobicContact CD1-CG2 4.24Å; L548-T573 HydrophobicContact CD2-CG2 4.11Å; L548-T573 HydrophobicContact CG-CG2 3.96Å; L548-K576 HydrophobicContact CD1-CD 3.52Å; L548-K576 HydrophobicContact CD2-CB 3.55Å; L548-K576 HydrophobicContact CD2-CD 4Å; L548-K576 HydrophobicContact CD2-CG 4.48Å; L548-K576 HydrophobicContact CG-CD 4.43Å; L548-L577 HydrophobicContact CD2-CD2 3.92Å; L548-L577 HydrophobicContact CD2-CG 4.15Å; L548-Y580 HydrophobicContact CB-CE2 4.38Å; L548-Y580 HydrophobicContact CD2-CD2 4.27Å; L548-Y580 HydrophobicContact CD2-CE2 3.79Å |
| 549 | I | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.7 | -31.3 | 174.5 | -63.6 | -62.1 | 0 | 0 | 0 | 111 | I545 V546 N547 E551 T552 G553 F555 F562 F564 L569 T573 L577 | I545-I549 HydrophobicContact CG2-CG1 4.4Å; I545-I549 VanDerWaalsContact O-CG1 3.3Å; I545-I549 WeakPolarHBondContact O-CG1 3.45Å; I545-I549 PolarHBondContact O-N 3Å; V546-I549 PolarHBondContact O-N 3.41Å; N547-I549 PolarHBondContact O-N 2.92Å; I549-E551 VanDerWaalsContact C-N 3.31Å; I549-E551 PolarHBondContact O-N 3.41Å; I549-T552 PolarHBondContact O-N 3.4Å; I549-T552 PolarHBondContact O-OG1 3.39Å; I549-G553 PolarHBondContact O-N 3.24Å; I549-F555 HydrophobicContact CG2-CB 3.6Å; I549-F555 HydrophobicContact CG2-CD1 4.21Å; I549-F555 HydrophobicContact CG2-CG 4.17Å; I549-F555 WeakPolarHBondContact O-CD1 3.28Å; I549-F562 HydrophobicContact CB-CE1 3.88Å; I549-F562 HydrophobicContact CB-CZ 3.91Å; I549-F562 HydrophobicContact CG1-CE1 4.49Å; I549-F562 HydrophobicContact CG2-CE1 3.63Å; I549-F562 HydrophobicContact CG2-CZ 3.59Å; I549-F564 HydrophobicContact CD1-CD1 4.4Å; I549-F564 HydrophobicContact CD1-CD2 3.68Å; I549-F564 HydrophobicContact CD1-CE1 4.48Å; I549-F564 HydrophobicContact CD1-CE2 3.75Å; I549-F564 HydrophobicContact CD1-CG 4.01Å; I549-F564 HydrophobicContact CD1-CZ 4.16Å; I549-F564 HydrophobicContact CG1-CD1 4Å; I549-F564 HydrophobicContact CG1-CD2 4.17Å; I549-F564 HydrophobicContact CG1-CE1 3.96Å; I549-F564 HydrophobicContact CG1-CE2 4.12Å; I549-F564 HydrophobicContact CG1-CG 4.1Å; I549-F564 HydrophobicContact CG1-CZ 4.01Å; I549-F564 HydrophobicContact CG2-CB 3.86Å; I549-F564 HydrophobicContact CG2-CD1 3.97Å; I549-F564 HydrophobicContact CG2-CG 3.93Å; I549-L569 HydrophobicContact CD1-CD1 3.49Å; I549-L569 VanDerWaalsContact CD1-CD1 3.49Å; I549-L569 HydrophobicContact CD1-CD2 3.88Å; I549-L569 HydrophobicContact CD1-CG 4.35Å; I549-T573 HydrophobicContact CD1-CG2 4.33Å; I549-L577 HydrophobicContact CD1-CD1 4.19Å; I549-L577 HydrophobicContact CD1-CD2 4.38Å |
| 550 | E | 88.6 | Confident | 88.2 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.8 | -28.4 | 174 | -147.2 | -135.1 | 119.5 | 0 | 0 | 112.9 | K10 V546 N547 L548 F555 | K10-E550 PolarHBondContact NZ-O 2.87Å; K10-E550 IonicContact NZ-OE1 2.67Å; K10-E550 PolarHBondContact NZ-OE1 3.42Å; V546-E550 WeakPolarHBondContact O-CB 3.37Å; V546-E550 PolarHBondContact O-N 2.87Å; N547-E550 PolarHBondContact O-N 2.87Å; N547-E550 VanDerWaalsContact O-N 3.15Å; L548-E550 VanDerWaalsContact C-N 3.34Å; E550-F555 HydrophobicContact CB-CE1 4.27Å; E550-F555 HydrophobicContact CG-CE1 3.75Å; E550-F555 HydrophobicContact CG-CZ 3.68Å |
| 551 | E | 86.8 | Confident | 88 | Confident | 125 Ų | 125 | 54 Ų | 54 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 168.2 | -73 | -174.4 | 170.3 | 0 | 0 | 112 | K121 N547 L548 I549 | K121-E551 PolarHBondContact NZ-O 3.42Å; N547-E551 PolarHBondContact O-N 2.87Å; L548-E551 WeakPolarHBondContact O-CB 3.41Å; L548-E551 PolarHBondContact O-N 3.2Å; I549-E551 VanDerWaalsContact C-N 3.31Å; I549-E551 PolarHBondContact O-N 3.41Å |
| 552 | T | 86.6 | Confident | 88 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | 175 | 73.4 | 0 | 0 | 0 | 0 | 110.5 | K121 L548 I549 H554 L569 T573 | K121-T552 WeakPolarHBondContact CB-O 3.48Å; K121-T552 WeakPolarHBondContact CD-O 3.18Å; K121-T552 WeakPolarHBondContact CE-O 3.19Å; K121-T552 PolarHBondContact NZ-O 3Å; K121-T552 VanDerWaalsContact NZ-O 3.11Å; L548-T552 PolarHBondContact O-N 3.44Å; I549-T552 PolarHBondContact O-N 3.4Å; I549-T552 PolarHBondContact O-OG1 3.39Å; T552-H554 VanDerWaalsContact C-N 3.34Å; T552-H554 PolarHBondContact OG1-N 2.82Å; T552-L569 HydrophobicContact CG2-CD2 4.1Å; T552-T573 HydrophobicContact CG2-CG2 3.68Å; T552-T573 WeakPolarHBondContact CG2-OG1 3.29Å |
| 553 | G | 82.5 | Confident | 88 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 25.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C119 E120 K121 I549 | C119-G553 CarbonylContact C-O 3.46Å; C119-G553 VanDerWaalsContact C-O 3.27Å; E120-G553 WeakPolarHBondContact CA-O 3.31Å; E120-G553 PolarHBondContact N-O 3.25Å; K121-G553 PolarHBondContact N-O 2.86Å; I549-G553 PolarHBondContact O-N 3.24Å |
| 554 | H | 81.9 | Confident | 88 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 29% | 0.292 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 73.1 | 171.1 | -66 | -52.7 | 0 | 0 | 0 | 109.6 | E120 T552 | E120-H554 IonicContact OE2-CE1 2.7Å; E120-H554 PolarHBondContact OE2-CE1 2.96Å; E120-H554 VanDerWaalsContact OE2-CE1 3.3Å; E120-H554 IonicContact OE2-ND1 2.68Å; E120-H554 PolarHBondContact OE2-ND1 3.05Å; E120-H554 VanDerWaalsContact OE2-ND1 3.1Å; T552-H554 VanDerWaalsContact C-N 3.34Å; T552-H554 PolarHBondContact OG1-N 2.82Å |
| 555 | F | 90.7 | Very high | 87.9 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 6% | 0.057 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 158.5 | -176.6 | 66.9 | -90.3 | 0 | 0 | 0 | 112 | C119 I549 E550 V557 F562 F564 | C119-F555 HydrophobicContact CB-CD1 4.07Å; C119-F555 HydrophobicContact CB-CD2 4.31Å; C119-F555 HydrophobicContact CB-CE1 3.69Å; C119-F555 HydrophobicContact CB-CE2 3.98Å; C119-F555 HydrophobicContact CB-CG 4.36Å; C119-F555 HydrophobicContact CB-CZ 3.66Å; C119-F555 PolarHBondContact N-O 3.23Å; C119-F555 VanDerWaalsContact SG-CE2 3.55Å; C119-F555 WeakPolarHBondContact SG-CZ 2.89Å; I549-F555 HydrophobicContact CG2-CB 3.6Å; I549-F555 HydrophobicContact CG2-CD1 4.21Å; I549-F555 HydrophobicContact CG2-CG 4.17Å; I549-F555 WeakPolarHBondContact O-CD1 3.28Å; E550-F555 HydrophobicContact CB-CE1 4.27Å; E550-F555 HydrophobicContact CG-CE1 3.75Å; E550-F555 HydrophobicContact CG-CZ 3.68Å; F555-V557 HydrophobicContact CD2-CG2 3.65Å; F555-V557 HydrophobicContact CE2-CG2 3.57Å; F555-F562 HydrophobicContact CB-CE2 4.4Å; F555-F562 HydrophobicContact CB-CZ 4.12Å; F555-F562 HydrophobicContact CD2-CD2 4.13Å; F555-F562 AromaticContact CD2-CE2 3.44Å; F555-F562 HydrophobicContact CD2-CE2 3.44Å; F555-F562 VanDerWaalsContact CD2-CE2 3.44Å; F555-F562 AromaticContact CD2-CZ 3.96Å; F555-F562 HydrophobicContact CD2-CZ 3.96Å; F555-F562 AromaticContact CE2-CE2 3.76Å; F555-F562 HydrophobicContact CE2-CE2 3.76Å; F555-F562 AromaticContact CG-CE2 3.94Å; F555-F562 HydrophobicContact CG-CE2 3.94Å; F555-F562 AromaticContact CG-CZ 3.96Å; F555-F562 HydrophobicContact CG-CZ 3.96Å; F555-F562 HydrophobicContact CZ-CE2 4.48Å; F555-F564 HydrophobicContact CB-CB 4.2Å |
| 556 | N | 85.4 | Confident | 87.8 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 146.8 | 174.9 | -48.3 | -53.4 | 0 | 0 | 0 | 109.9 | H116 L117 R118 D563 | H116-N556 VanDerWaalsContact CE1-CB 3.44Å; H116-N556 WeakPolarHBondContact CE1-CB 3.38Å; L117-N556 CarbonylContact O-C 3.55Å; L117-N556 VanDerWaalsContact O-CA 3.25Å; L117-N556 WeakPolarHBondContact O-CA 3.39Å; R118-N556 WeakPolarHBondContact CB-OD1 3.12Å; R118-N556 WeakPolarHBondContact CD-OD1 3.47Å; R118-N556 WeakPolarHBondContact CG-OD1 3.46Å; N556-D563 HydrophobicContact CB-CB 4.42Å; N556-D563 PolarHBondContact N-O 3.41Å; N556-D563 PolarHBondContact O-N 2.97Å |
| 557 | V | 89.2 | Confident | 87.5 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136 | 175.8 | -171 | 0 | 0 | 0 | 0 | 108.7 | L117 F555 F562 | L117-V557 PolarHBondContact N-O 2.88Å; L117-V557 PolarHBondContact O-N 2.68Å; F555-V557 HydrophobicContact CD2-CG2 3.65Å; F555-V557 HydrophobicContact CE2-CG2 3.57Å; V557-F562 HydrophobicContact CG2-CD2 4.02Å; V557-F562 HydrophobicContact CG2-CE2 4.46Å |
| 558 | T | 86.4 | Confident | 87 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | trans | -117.1 | -176.2 | 167.8 | 78.9 | 0 | 0 | 0 | 0 | 110.1 | N115 T560 T561 | N115-T558 WeakPolarHBondContact O-CA 3.45Å; T558-T560 PolarHBondContact O-N 2.83Å; T558-T560 VanDerWaalsContact O-N 3.17Å; T558-T560 PolarHBondContact OG1-N 2.97Å; T558-T560 VanDerWaalsContact OG1-N 3.14Å; T558-T560 PolarHBondContact OG1-OG1 2.91Å; T558-T561 WeakPolarHBondContact CG2-OG1 3.29Å; T558-T561 PolarHBondContact N-O 3.13Å; T558-T561 PolarHBondContact OG1-N 3.29Å; T558-T561 PolarHBondContact OG1-OG1 3.14Å | ||
| 559 | N | 74.7 | Confident | 86.8 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -62.2 | -17.3 | 172.9 | -61.6 | -20.5 | 0 | 0 | 0 | 113.6 | N115 | N115-N559 PolarHBondContact ND2-OD1 3.26Š|
| 560 | T | 85.4 | Confident | 86.5 | Confident | 129 Ų | 129 | 60 Ų | 60 | 79% | 0.791 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -136.1 | -10.7 | -168.8 | 47.8 | 0 | 0 | 0 | 0 | 114.6 | T558 | T558-T560 PolarHBondContact O-N 2.83Å; T558-T560 VanDerWaalsContact O-N 3.17Å; T558-T560 PolarHBondContact OG1-N 2.97Å; T558-T560 VanDerWaalsContact OG1-N 3.14Å; T558-T560 PolarHBondContact OG1-OG1 2.91Å |
| 561 | T | 88.1 | Confident | 86.4 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 36% | 0.362 | 32% | 0.318 | S | S | . | . | trans | -136.9 | 151.3 | -174.4 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | T558 D563 | T558-T561 WeakPolarHBondContact CG2-OG1 3.29Å; T558-T561 PolarHBondContact N-O 3.13Å; T558-T561 PolarHBondContact OG1-N 3.29Å; T558-T561 PolarHBondContact OG1-OG1 3.14Å; T561-D563 WeakPolarHBondContact CB-OD1 3.42Å; T561-D563 VanDerWaalsContact CB-OD2 3.3Å; T561-D563 WeakPolarHBondContact CB-OD2 3.38Å; T561-D563 PolarHBondContact OG1-OD2 3.17Å | ||
| 562 | F | 90.6 | Very high | 86.4 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 106.7 | 165.9 | 177.6 | -87.4 | 0 | 0 | 0 | 106.3 | V546 I549 F555 V557 F564 | V546-F562 HydrophobicContact CB-CE1 4.39Å; V546-F562 HydrophobicContact CB-CZ 4.45Å; V546-F562 HydrophobicContact CG1-CD2 4.44Å; V546-F562 HydrophobicContact CG1-CE1 4.39Å; V546-F562 HydrophobicContact CG1-CE2 4.06Å; V546-F562 HydrophobicContact CG1-CZ 4.03Å; V546-F562 HydrophobicContact CG2-CD1 3.96Å; V546-F562 HydrophobicContact CG2-CE1 4.03Å; V546-F562 HydrophobicContact CG2-CG 4.35Å; V546-F562 HydrophobicContact CG2-CZ 4.48Å; I549-F562 HydrophobicContact CB-CE1 3.88Å; I549-F562 HydrophobicContact CB-CZ 3.91Å; I549-F562 HydrophobicContact CG1-CE1 4.49Å; I549-F562 HydrophobicContact CG2-CE1 3.63Å; I549-F562 HydrophobicContact CG2-CZ 3.59Å; F555-F562 HydrophobicContact CB-CE2 4.4Å; F555-F562 HydrophobicContact CB-CZ 4.12Å; F555-F562 HydrophobicContact CD2-CD2 4.13Å; F555-F562 AromaticContact CD2-CE2 3.44Å; F555-F562 HydrophobicContact CD2-CE2 3.44Å; F555-F562 VanDerWaalsContact CD2-CE2 3.44Å; F555-F562 AromaticContact CD2-CZ 3.96Å; F555-F562 HydrophobicContact CD2-CZ 3.96Å; F555-F562 AromaticContact CE2-CE2 3.76Å; F555-F562 HydrophobicContact CE2-CE2 3.76Å; F555-F562 AromaticContact CG-CE2 3.94Å; F555-F562 HydrophobicContact CG-CE2 3.94Å; F555-F562 AromaticContact CG-CZ 3.96Å; F555-F562 HydrophobicContact CG-CZ 3.96Å; F555-F562 HydrophobicContact CZ-CE2 4.48Å; V557-F562 HydrophobicContact CG2-CD2 4.02Å; V557-F562 HydrophobicContact CG2-CE2 4.46Å; F562-F564 HydrophobicContact CD1-CD1 4.05Å; F562-F564 HydrophobicContact CD1-CE1 4.35Å; F562-F564 AromaticContact CE1-CD1 3.84Å; F562-F564 HydrophobicContact CE1-CD1 3.84Å; F562-F564 HydrophobicContact CE1-CE1 4.22Å |
| 563 | D | 89.9 | Confident | 86.5 | Confident | 59 Ų | 59 | 58.3 Ų | 58.3 | 32% | 0.316 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.8 | -167.9 | -53.1 | -60.1 | 0 | 0 | 0 | 109.9 | N556 T561 | N556-D563 HydrophobicContact CB-CB 4.42Å; N556-D563 PolarHBondContact N-O 3.41Å; N556-D563 PolarHBondContact O-N 2.97Å; T561-D563 WeakPolarHBondContact CB-OD1 3.42Å; T561-D563 VanDerWaalsContact CB-OD2 3.3Å; T561-D563 WeakPolarHBondContact CB-OD2 3.38Å; T561-D563 PolarHBondContact OG1-OD2 3.17Å |
| 564 | F | 91.7 | Very high | 86.9 | Confident | 46 Ų | 46 | 58.3 Ų | 58.3 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | trans | -145.3 | 146 | 174.8 | 55.5 | -88 | 0 | 0 | 0 | 110.6 | L533 I545 I549 F555 F562 L566 L569 L577 | L533-F564 HydrophobicContact CD1-CE2 4.08Å; L533-F564 HydrophobicContact CD1-CZ 3.95Å; L533-F564 HydrophobicContact CD2-CZ 4.45Å; I545-F564 HydrophobicContact CG2-CE1 4.34Å; I545-F564 HydrophobicContact CG2-CZ 4.12Å; I549-F564 HydrophobicContact CD1-CD1 4.4Å; I549-F564 HydrophobicContact CD1-CD2 3.68Å; I549-F564 HydrophobicContact CD1-CE1 4.48Å; I549-F564 HydrophobicContact CD1-CE2 3.75Å; I549-F564 HydrophobicContact CD1-CG 4.01Å; I549-F564 HydrophobicContact CD1-CZ 4.16Å; I549-F564 HydrophobicContact CG1-CD1 4Å; I549-F564 HydrophobicContact CG1-CD2 4.17Å; I549-F564 HydrophobicContact CG1-CE1 3.96Å; I549-F564 HydrophobicContact CG1-CE2 4.12Å; I549-F564 HydrophobicContact CG1-CG 4.1Å; I549-F564 HydrophobicContact CG1-CZ 4.01Å; I549-F564 HydrophobicContact CG2-CB 3.86Å; I549-F564 HydrophobicContact CG2-CD1 3.97Å; I549-F564 HydrophobicContact CG2-CG 3.93Å; F555-F564 HydrophobicContact CB-CB 4.2Å; F562-F564 HydrophobicContact CD1-CD1 4.05Å; F562-F564 HydrophobicContact CD1-CE1 4.35Å; F562-F564 AromaticContact CE1-CD1 3.84Å; F562-F564 HydrophobicContact CE1-CD1 3.84Å; F562-F564 HydrophobicContact CE1-CE1 4.22Å; F564-L566 HydrophobicContact CD2-CD2 4.27Å; F564-L566 HydrophobicContact CE2-CD2 3.81Å; F564-L569 HydrophobicContact CD2-CD1 3.95Å; F564-L569 HydrophobicContact CE2-CD1 4.22Å; F564-L577 HydrophobicContact CE2-CD1 4.24Å | ||
| 565 | D | 88.8 | Confident | 87.3 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | trans | -89.9 | 116.7 | 177.4 | 169.4 | 32.5 | 0 | 0 | 0 | 110.1 | F567 S568 | D565-F567 PolarHBondContact O-N 3.47Å; D565-F567 WeakPolarHBondContact OD1-CB 3.3Å; D565-F567 PolarHBondContact OD1-N 3Å; D565-S568 PolarHBondContact O-N 2.97Å; D565-S568 WeakPolarHBondContact OD2-CB 3.39Å; D565-S568 PolarHBondContact OD2-N 3.21Å; D565-S568 VanDerWaalsContact OD2-N 3.12Å; D565-S568 PolarHBondContact OD2-OG 3.06Å | ||
| 566 | L | 89.9 | Confident | 87.3 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -60.5 | -26.2 | 176.7 | -71.3 | 176.6 | 0 | 0 | 0 | 113.2 | L526 L529 H530 L533 F564 S568 L569 L577 | L526-L566 HydrophobicContact CD1-CB 4.5Å; L526-L566 HydrophobicContact CD2-CB 4.23Å; L526-L566 WeakPolarHBondContact O-CD1 3.46Å; L529-L566 HydrophobicContact CB-CD1 4.44Å; L529-L566 HydrophobicContact CD2-CD1 4.31Å; L529-L566 HydrophobicContact CD2-CD2 3.89Å; L529-L566 HydrophobicContact CG-CD1 4.27Å; L529-L566 HydrophobicContact CG-CD2 4.39Å; H530-L566 HydrophobicContact CB-CD1 3.88Å; L533-L566 HydrophobicContact CD1-CD1 4.45Å; L533-L566 HydrophobicContact CD1-CD2 4.09Å; F564-L566 HydrophobicContact CD2-CD2 4.27Å; F564-L566 HydrophobicContact CE2-CD2 3.81Å; L566-S568 VanDerWaalsContact C-N 3.32Å; L566-L569 HydrophobicContact CD2-CD1 4.06Å; L566-L577 HydrophobicContact CD2-CD1 4.06Å |
| 567 | F | 84.4 | Confident | 87.6 | Confident | 140 Ų | 140 | 64.4 Ų | 64.4 | 61% | 0.614 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -77.5 | -17.6 | 175.1 | -68.7 | -83.2 | 0 | 0 | 0 | 113.5 | T523 L526 D565 | T523-F567 HydrophobicContact CG2-CE1 3.98Å; T523-F567 HydrophobicContact CG2-CZ 4.15Å; L526-F567 HydrophobicContact CD1-CD1 3.96Å; L526-F567 HydrophobicContact CD1-CE1 3.77Å; L526-F567 HydrophobicContact CD1-CE2 4.49Å; L526-F567 HydrophobicContact CD1-CG 4.41Å; L526-F567 HydrophobicContact CD1-CZ 4.06Å; D565-F567 PolarHBondContact O-N 3.47Å; D565-F567 WeakPolarHBondContact OD1-CB 3.3Å; D565-F567 PolarHBondContact OD1-N 3Å |
| 568 | S | 81.9 | Confident | 87.5 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -92.2 | 0.8 | 176.4 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | D565 L566 | D565-S568 PolarHBondContact O-N 2.97Å; D565-S568 WeakPolarHBondContact OD2-CB 3.39Å; D565-S568 PolarHBondContact OD2-N 3.21Å; D565-S568 VanDerWaalsContact OD2-N 3.12Å; D565-S568 PolarHBondContact OD2-OG 3.06Å; L566-S568 VanDerWaalsContact C-N 3.32Å |
| 569 | L | 87.9 | Confident | 87.6 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -95.5 | 144.9 | 176.4 | -59.8 | -179.5 | 0 | 0 | 0 | 111.9 | I549 T552 F564 L566 T573 V574 L577 | I549-L569 HydrophobicContact CD1-CD1 3.49Å; I549-L569 VanDerWaalsContact CD1-CD1 3.49Å; I549-L569 HydrophobicContact CD1-CD2 3.88Å; I549-L569 HydrophobicContact CD1-CG 4.35Å; T552-L569 HydrophobicContact CG2-CD2 4.1Å; F564-L569 HydrophobicContact CD2-CD1 3.95Å; F564-L569 HydrophobicContact CE2-CD1 4.22Å; L566-L569 HydrophobicContact CD2-CD1 4.06Å; L569-T573 HydrophobicContact CD1-CG2 4.19Å; L569-V574 HydrophobicContact CB-CG2 4Å; L569-L577 HydrophobicContact CD1-CD1 3.74Å |
| 570 | D | 85.8 | Confident | 88.2 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | trans | -67.5 | 146.4 | 168.9 | 51.4 | -86.6 | 0 | 0 | 0 | 112.5 | S572 T573 V574 | D570-S572 PolarHBondContact O-N 3.39Å; D570-S572 VanDerWaalsContact O-N 3.14Å; D570-S572 PolarHBondContact OD2-OG 2.93Å; D570-T573 WeakPolarHBondContact O-CA 3.36Å; D570-T573 WeakPolarHBondContact O-CB 3.42Å; D570-T573 PolarHBondContact O-N 3.39Å; D570-T573 PolarHBondContact OD1-OG1 3.45Å; D570-T573 WeakPolarHBondContact OD2-CB 3.5Å; D570-T573 PolarHBondContact OD2-N 3.39Å; D570-T573 PolarHBondContact OD2-OG1 3.07Å; D570-V574 PolarHBondContact O-N 3.38Å | ||
| 571 | E | 85.4 | Confident | 88.2 | Confident | 103 Ų | 103 | 57.5 Ų | 57.5 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.6 | -32.5 | -175 | -162.7 | -163.5 | 135.3 | 0 | 0 | 112.9 | V574 R575 | E571-V574 PolarHBondContact O-N 3.25Å; E571-R575 VanDerWaalsContact O-CG 3.31Å; E571-R575 WeakPolarHBondContact O-CG 3.44Å; E571-R575 PolarHBondContact O-N 2.86Å; E571-R575 IonicContact OE1-CZ 2.69Å; E571-R575 IonicContact OE1-NE 3.19Å; E571-R575 PolarHBondContact OE1-NE 3.49Å; E571-R575 IonicContact OE1-NH2 2.83Å; E571-R575 PolarHBondContact OE1-NH2 2.68Å |
| 572 | S | 87.3 | Confident | 87.9 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 172.1 | 29.2 | 0 | 0 | 0 | 0 | 112.9 | D570 K576 | D570-S572 PolarHBondContact O-N 3.39Å; D570-S572 VanDerWaalsContact O-N 3.14Å; D570-S572 PolarHBondContact OD2-OG 2.93Å; S572-K576 WeakPolarHBondContact O-CG 3.49Å; S572-K576 PolarHBondContact O-N 3.04Å |
| 573 | T | 89.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70 | -42.5 | 175.4 | -62.9 | 0 | 0 | 0 | 0 | 111 | L548 I549 T552 L569 D570 R575 K576 L577 | L548-T573 HydrophobicContact CD1-CG2 4.24Å; L548-T573 HydrophobicContact CD2-CG2 4.11Å; L548-T573 HydrophobicContact CG-CG2 3.96Å; I549-T573 HydrophobicContact CD1-CG2 4.33Å; T552-T573 HydrophobicContact CG2-CG2 3.68Å; T552-T573 WeakPolarHBondContact CG2-OG1 3.29Å; L569-T573 HydrophobicContact CD1-CG2 4.19Å; D570-T573 WeakPolarHBondContact O-CA 3.36Å; D570-T573 WeakPolarHBondContact O-CB 3.42Å; D570-T573 PolarHBondContact O-N 3.39Å; D570-T573 PolarHBondContact OD1-OG1 3.45Å; D570-T573 WeakPolarHBondContact OD2-CB 3.5Å; D570-T573 PolarHBondContact OD2-N 3.39Å; D570-T573 PolarHBondContact OD2-OG1 3.07Å; T573-R575 VanDerWaalsContact C-N 3.33Å; T573-R575 PolarHBondContact O-N 3.27Å; T573-K576 WeakPolarHBondContact O-CB 3.41Å; T573-K576 PolarHBondContact O-N 3.41Å; T573-K576 VanDerWaalsContact O-N 3.13Å; T573-L577 WeakPolarHBondContact O-CG 3.41Å; T573-L577 PolarHBondContact O-N 3.3Å |
| 574 | V | 90.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 176.3 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | Y522 L526 L529 L569 D570 E571 K576 L577 Q578 | Y522-V574 HydrophobicContact CE2-CG1 4.42Å; L526-V574 HydrophobicContact CD2-CG1 3.64Å; L526-V574 HydrophobicContact CD2-CG2 4.34Å; L529-V574 HydrophobicContact CD2-CG1 3.81Å; L569-V574 HydrophobicContact CB-CG2 4Å; D570-V574 PolarHBondContact O-N 3.38Å; E571-V574 PolarHBondContact O-N 3.25Å; V574-K576 PolarHBondContact O-N 2.65Å; V574-L577 WeakPolarHBondContact O-CB 3.44Å; V574-L577 PolarHBondContact O-N 3.15Å; V574-Q578 WeakPolarHBondContact O-CG 3.37Å; V574-Q578 PolarHBondContact O-N 2.96Å |
| 575 | R | 89.4 | Confident | 83.8 | Confident | 152 Ų | 152 | 60.8 Ų | 60.8 | 57% | 0.574 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.3 | -36.8 | 175.8 | -71.4 | 169.5 | 179.4 | -89.3 | 3.9 | 113.1 | E571 T573 S579 | E571-R575 VanDerWaalsContact O-CG 3.31Å; E571-R575 WeakPolarHBondContact O-CG 3.44Å; E571-R575 PolarHBondContact O-N 2.86Å; E571-R575 IonicContact OE1-CZ 2.69Å; E571-R575 IonicContact OE1-NE 3.19Å; E571-R575 PolarHBondContact OE1-NE 3.49Å; E571-R575 IonicContact OE1-NH2 2.83Å; E571-R575 PolarHBondContact OE1-NH2 2.68Å; T573-R575 VanDerWaalsContact C-N 3.33Å; T573-R575 PolarHBondContact O-N 3.27Å; R575-S579 PolarHBondContact O-N 3.15Å; R575-S579 VanDerWaalsContact O-N 3.09Å |
| 576 | K | 90.1 | Very high | 81.7 | Confident | 91 Ų | 91 | 66.1 Ų | 66.1 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 172.3 | -74.7 | 176 | 175.3 | -176.9 | 0 | 111.8 | L548 S572 T573 V574 S579 Y580 | L548-K576 HydrophobicContact CD1-CD 3.52Å; L548-K576 HydrophobicContact CD2-CB 3.55Å; L548-K576 HydrophobicContact CD2-CD 4Å; L548-K576 HydrophobicContact CD2-CG 4.48Å; L548-K576 HydrophobicContact CG-CD 4.43Å; S572-K576 WeakPolarHBondContact O-CG 3.49Å; S572-K576 PolarHBondContact O-N 3.04Å; T573-K576 WeakPolarHBondContact O-CB 3.41Å; T573-K576 PolarHBondContact O-N 3.41Å; T573-K576 VanDerWaalsContact O-N 3.13Å; V574-K576 PolarHBondContact O-N 2.65Å; K576-S579 PolarHBondContact O-N 2.67Å; K576-Y580 PolarHBondContact O-N 3.16Å |
| 577 | L | 91.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.7 | -66.5 | 170.9 | 0 | 0 | 0 | 111.9 | L529 I545 L548 I549 F564 L566 L569 T573 V574 Y580 L581 | L529-L577 HydrophobicContact CD1-CB 4.17Å; L529-L577 HydrophobicContact CD2-CB 4.33Å; L529-L577 HydrophobicContact CD2-CD1 4.46Å; I545-L577 HydrophobicContact CB-CD2 4.25Å; I545-L577 HydrophobicContact CG1-CD2 3.94Å; I545-L577 HydrophobicContact CG2-CD2 3.78Å; L548-L577 HydrophobicContact CD2-CD2 3.92Å; L548-L577 HydrophobicContact CD2-CG 4.15Å; I549-L577 HydrophobicContact CD1-CD1 4.19Å; I549-L577 HydrophobicContact CD1-CD2 4.38Å; F564-L577 HydrophobicContact CE2-CD1 4.24Å; L566-L577 HydrophobicContact CD2-CD1 4.06Å; L569-L577 HydrophobicContact CD1-CD1 3.74Å; T573-L577 WeakPolarHBondContact O-CG 3.41Å; T573-L577 PolarHBondContact O-N 3.3Å; V574-L577 WeakPolarHBondContact O-CB 3.44Å; V574-L577 PolarHBondContact O-N 3.15Å; L577-Y580 PolarHBondContact O-N 3.22Å; L577-L581 WeakPolarHBondContact O-CD1 3.4Å; L577-L581 WeakPolarHBondContact O-CG 3.46Å; L577-L581 PolarHBondContact O-N 2.9Å |
| 578 | Q | 88.4 | Confident | 81.2 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 14% | 0.136 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.9 | -49.4 | 173.7 | -70.5 | 170.2 | -29.3 | 0 | 0 | 110.8 | L529 V574 Y580 L581 E582 | L529-Q578 HydrophobicContact CD1-CG 4.12Å; L529-Q578 HydrophobicContact CD2-CG 4.31Å; V574-Q578 WeakPolarHBondContact O-CG 3.37Å; V574-Q578 PolarHBondContact O-N 2.96Å; Q578-Y580 PolarHBondContact O-N 3.42Å; Q578-L581 PolarHBondContact O-N 3.11Å; Q578-L581 VanDerWaalsContact O-N 3.15Å; Q578-E582 PolarHBondContact O-N 2.9Å |
| 579 | S | 88.3 | Confident | 81.1 | Confident | 69 Ų | 69 | 65 Ų | 65 | 48% | 0.483 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 113.8 | R575 K576 L581 E582 A583 | R575-S579 PolarHBondContact O-N 3.15Å; R575-S579 VanDerWaalsContact O-N 3.09Å; K576-S579 PolarHBondContact O-N 2.67Å; S579-L581 VanDerWaalsContact C-N 3.33Å; S579-L581 PolarHBondContact O-N 3.14Å; S579-E582 PolarHBondContact O-N 3.11Å; S579-A583 PolarHBondContact O-N 2.8Å |
| 580 | Y | 87.1 | Confident | 80.7 | Confident | 74 Ų | 74 | 68 Ų | 68 | 29% | 0.29 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.3 | -31.9 | 176.5 | -68.3 | -22.9 | 0 | 0 | 0 | 113 | Q544 I545 L548 K576 L577 Q578 | Q544-Y580 HydrophobicContact CB-CD2 4.28Å; Q544-Y580 HydrophobicContact CB-CE2 4.18Å; I545-Y580 HydrophobicContact CG1-CD2 4.33Å; L548-Y580 HydrophobicContact CB-CE2 4.38Å; L548-Y580 HydrophobicContact CD2-CD2 4.27Å; L548-Y580 HydrophobicContact CD2-CE2 3.79Å; K576-Y580 PolarHBondContact O-N 3.16Å; L577-Y580 PolarHBondContact O-N 3.22Å; Q578-Y580 PolarHBondContact O-N 3.42Å |
| 581 | L | 85.3 | Confident | 80.4 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 5% | 0.047 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -82.7 | -21.7 | 177 | -67.1 | 162.7 | 0 | 0 | 0 | 113.3 | L529 R532 L533 L536 I545 L577 Q578 S579 T584 | L529-L581 HydrophobicContact CD1-CD1 3.38Å; R532-L581 HydrophobicContact CB-CD1 3.98Å; R532-L581 HydrophobicContact CB-CD2 4.48Å; L533-L581 HydrophobicContact CD2-CD1 3.87Å; L533-L581 HydrophobicContact CD2-CD2 4.48Å; L533-L581 HydrophobicContact CG-CD1 3.96Å; L536-L581 HydrophobicContact CB-CD2 4.29Å; L536-L581 HydrophobicContact CD1-CD2 4.09Å; L536-L581 HydrophobicContact CD2-CD2 3.86Å; L536-L581 HydrophobicContact CG-CD2 4.3Å; I545-L581 HydrophobicContact CD1-CD2 4.3Å; L577-L581 WeakPolarHBondContact O-CD1 3.4Å; L577-L581 WeakPolarHBondContact O-CG 3.46Å; L577-L581 PolarHBondContact O-N 2.9Å; Q578-L581 PolarHBondContact O-N 3.11Å; Q578-L581 VanDerWaalsContact O-N 3.15Å; S579-L581 VanDerWaalsContact C-N 3.33Å; S579-L581 PolarHBondContact O-N 3.14Å; L581-T584 PolarHBondContact O-OG1 3.41Å |
| 582 | E | 81.2 | Confident | 80.1 | Confident | 101 Ų | 101 | 65.5 Ų | 65.5 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -81.4 | -30.3 | 172.8 | -79.3 | 152.7 | -152.3 | 0 | 0 | 111.6 | R532 Q578 S579 T584 A585 | R532-E582 IonicContact CZ-OE1 3.23Å; R532-E582 IonicContact NH1-OE1 2.9Å; R532-E582 PolarHBondContact NH1-OE1 3.27Å; R532-E582 IonicContact NH2-OE1 2.68Å; Q578-E582 PolarHBondContact O-N 2.9Å; S579-E582 PolarHBondContact O-N 3.11Å; E582-T584 PolarHBondContact O-N 2.87Å; E582-A585 WeakPolarHBondContact O-CB 3.48Å; E582-A585 PolarHBondContact O-N 2.84Å; E582-A585 VanDerWaalsContact O-N 3.11Å |
| 583 | A | 68.3 | Low | 79.5 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 60% | 0.595 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S579 | S579-A583 PolarHBondContact O-N 2.8Š|
| 584 | T | 61.3 | Low | 78.8 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 1.1 | 172.8 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | E538 V541 L581 E582 | E538-T584 WeakPolarHBondContact OE1-CB 3.45Å; E538-T584 WeakPolarHBondContact OE1-CG2 3.46Å; E538-T584 WeakPolarHBondContact OE2-CG2 3.37Å; V541-T584 HydrophobicContact CB-CG2 4.13Å; V541-T584 HydrophobicContact CG1-CG2 4.15Å; V541-T584 HydrophobicContact CG2-CG2 3.56Å; L581-T584 PolarHBondContact O-OG1 3.41Å; E582-T584 PolarHBondContact O-N 2.87Å |
| 585 | A | 58 | Low | 77.8 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 68% | 0.678 | 42% | 0.418 | S | S | * | . | trans | -96 | 14 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E582 | E582-A585 WeakPolarHBondContact O-CB 3.48Å; E582-A585 PolarHBondContact O-N 2.84Å; E582-A585 VanDerWaalsContact O-N 3.11Å | ||
| 586 | T | 44.2 | Very low | 76.7 | Confident | 182 Ų | 182 | 67.8 Ų | 67.8 | 100% | 1.117 | 40% | 0.404 | S | S | * | . | trans | -132.7 | 0 | -176.2 | 58.8 | 0 | 0 | 0 | 0 | 112 |
Retrieved 586 of 586 residues in 396.8 ms
(Link to these results)