| 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 | 87.7 | Confident | 92.9 | Very high | 42 Ų | 42 | 66.1 Ų | 66.1 | 21% | 0.207 | 32% | 0.316 | C | S | . | . | 0 | 126 | 0 | -159 | 178.1 | -159.8 | 0 | 0 | 112.2 | V3 C16 G17 G19 L65 V69 D71 | M1-V3 HydrophobicContact CE-CG2 3.8Å; M1-V3 HydrophobicContact CG-CG2 4.23Å; M1-V3 HydrophobicContact SD-CG2 4.36Å; M1-C16 HydrophobicContact CB-CB 4.17Å; M1-C16 HydrophobicContact CG-CB 4.21Å; M1-C16 PolarHBondContact O-N 2.98Å; M1-C16 HydrophobicContact SD-CB 4.21Å; M1-G17 WeakPolarHBondContact CA-O 3.41Å; M1-G17 VanDerWaalsContact CB-O 3.28Å; M1-G17 WeakPolarHBondContact CB-O 3.39Å; M1-G17 PolarHBondContact N-O 3.05Å; M1-G19 WeakPolarHBondContact SD-CA 3.18Å; M1-L65 HydrophobicContact CE-CD2 4.14Å; M1-L65 HydrophobicContact CE-CG 3.73Å; M1-L65 HydrophobicContact SD-CB 4.4Å; M1-L65 HydrophobicContact SD-CD2 3.74Å; M1-L65 HydrophobicContact SD-CG 3.77Å; M1-V69 VanDerWaalsContact CE-C 3.42Å; M1-V69 HydrophobicContact CE-CB 3.73Å; M1-V69 HydrophobicContact CE-CG1 3.79Å; M1-V69 WeakPolarHBondContact CE-O 3.35Å; M1-D71 WeakPolarHBondContact CA-OD1 3.48Å; M1-D71 PolarHBondContact N-OD1 3.2Å | |||
| 2 | K | 92.2 | Very high | 93.1 | Very high | 124 Ų | 124 | 61.3 Ų | 61.3 | 54% | 0.539 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 127.4 | 165.3 | -63.4 | 175 | -176.3 | 172 | 0 | 108.6 | V13 V14 D71 K72 | K2-V13 HydrophobicContact CB-CG1 4.32Å; K2-V14 CarbonylContact C-O 3.53Å; K2-V14 WeakPolarHBondContact CA-O 3.47Å; K2-D71 PolarHBondContact N-OD1 2.97Å; K2-K72 WeakPolarHBondContact O-CA 3.43Å; K2-K72 PolarHBondContact O-N 2.92Å |
| 3 | V | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.8 | -180 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | M1 V5 V13 V14 L26 L65 V69 L75 | M1-V3 HydrophobicContact CE-CG2 3.8Å; M1-V3 HydrophobicContact CG-CG2 4.23Å; M1-V3 HydrophobicContact SD-CG2 4.36Å; V3-V5 HydrophobicContact CG1-CG2 4.42Å; V3-V13 WeakPolarHBondContact O-CA 3.23Å; V3-V14 PolarHBondContact N-O 3.19Å; V3-V14 PolarHBondContact O-N 2.79Å; V3-L26 HydrophobicContact CB-CD1 4.39Å; V3-L26 HydrophobicContact CB-CD2 4.33Å; V3-L26 HydrophobicContact CG1-CD2 4.09Å; V3-L65 HydrophobicContact CG2-CD2 4Å; V3-V69 HydrophobicContact CG1-CG1 4.17Å; V3-V69 HydrophobicContact CG2-CG1 3.8Å; V3-L75 HydrophobicContact CG1-CD1 3.63Å; V3-L75 HydrophobicContact CG1-CG 3.81Å |
| 4 | T | 95.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 111.4 | 175.4 | -51 | 0 | 0 | 0 | 0 | 109.5 | R11 V13 D73 R74 L75 | T4-R11 HydrophobicContact CG2-CB 4.26Å; T4-V13 HydrophobicContact CG2-CG2 4.42Å; T4-D73 WeakPolarHBondContact CB-O 3.46Å; T4-D73 PolarHBondContact N-O 3.23Å; T4-R74 CarbonylContact O-C 3.54Å; T4-R74 WeakPolarHBondContact O-CA 3.11Å; T4-L75 PolarHBondContact O-N 3.41Å |
| 5 | V | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.7 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | V3 F7 V12 V14 L26 A30 L51 L75 A77 | V3-V5 HydrophobicContact CG1-CG2 4.42Å; V5-F7 HydrophobicContact CB-CE2 4.08Å; V5-F7 HydrophobicContact CG1-CD2 4.07Å; V5-F7 HydrophobicContact CG1-CE2 3.54Å; V5-F7 HydrophobicContact CG1-CZ 4.18Å; V5-V12 PolarHBondContact N-O 3.12Å; V5-V12 PolarHBondContact O-N 3.01Å; V5-V14 HydrophobicContact CG2-CG2 4.4Å; V5-L26 HydrophobicContact CG2-CD1 4.08Å; V5-L26 HydrophobicContact CG2-CG 4.39Å; V5-A30 HydrophobicContact CB-CB 3.98Å; V5-A30 HydrophobicContact CG1-CB 4.07Å; V5-A30 HydrophobicContact CG2-CB 3.87Å; V5-L51 HydrophobicContact CG1-CD2 3.73Å; V5-L51 HydrophobicContact CG2-CD1 4.37Å; V5-L75 CarbonylContact C-O 3.58Å; V5-L75 WeakPolarHBondContact CA-O 3.5Å; V5-A77 HydrophobicContact CG1-CB 3.78Å |
| 6 | C | 95.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 111.6 | -176 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | G8 R11 L75 A77 | C6-G8 PolarHBondContact O-N 2.84Å; C6-R11 HydrophobicContact CB-CG 4.46Å; C6-L75 WeakPolarHBondContact CB-O 3.17Å; C6-L75 PolarHBondContact N-O 3.15Å; C6-L75 PolarHBondContact SG-O 3.45Å; C6-A77 PolarHBondContact O-N 2.84Å |
| 7 | F | 93.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 83.5 | 174.1 | -69.2 | -104.3 | 0 | 0 | 0 | 108.2 | V5 R9 T10 V12 A30 Y34 V48 A77 Y79 | V5-F7 HydrophobicContact CB-CE2 4.08Å; V5-F7 HydrophobicContact CG1-CD2 4.07Å; V5-F7 HydrophobicContact CG1-CE2 3.54Å; V5-F7 HydrophobicContact CG1-CZ 4.18Å; F7-R9 PolarHBondContact O-N 3.03Å; F7-T10 PolarHBondContact N-O 3.02Å; F7-T10 PolarHBondContact O-N 2.93Å; F7-V12 HydrophobicContact CD2-CB 4.42Å; F7-V12 HydrophobicContact CD2-CG2 4.02Å; F7-V12 HydrophobicContact CE2-CB 4.34Å; F7-V12 HydrophobicContact CE2-CG2 4.22Å; F7-A30 HydrophobicContact CE2-CB 3.94Å; F7-A30 HydrophobicContact CZ-CB 3.93Å; F7-Y34 HydrophobicContact CB-CD2 3.42Å; F7-Y34 VanDerWaalsContact CB-CD2 3.42Å; F7-Y34 HydrophobicContact CB-CE1 4.47Å; F7-Y34 HydrophobicContact CB-CE2 3.29Å; F7-Y34 HydrophobicContact CB-CG 4.08Å; F7-Y34 AromaticContact CD1-CD1 3.65Å; F7-Y34 HydrophobicContact CD1-CD1 3.65Å; F7-Y34 AromaticContact CD1-CD2 3.83Å; F7-Y34 HydrophobicContact CD1-CD2 3.83Å; F7-Y34 AromaticContact CD1-CE1 3.98Å; F7-Y34 HydrophobicContact CD1-CE1 3.98Å; F7-Y34 HydrophobicContact CD1-CE2 4.16Å; F7-Y34 AromaticContact CD1-CG 3.56Å; F7-Y34 HydrophobicContact CD1-CG 3.56Å; F7-Y34 AromaticContact CD2-CD2 3.83Å; F7-Y34 HydrophobicContact CD2-CD2 3.83Å; F7-Y34 AromaticContact CD2-CG 3.99Å; F7-Y34 HydrophobicContact CD2-CG 3.99Å; F7-Y34 AromaticContact CE1-CD1 3.96Å; F7-Y34 HydrophobicContact CE1-CD1 3.96Å; F7-Y34 AromaticContact CE1-CG 3.89Å; F7-Y34 HydrophobicContact CE1-CG 3.89Å; F7-Y34 HydrophobicContact CE2-CG 4.3Å; F7-Y34 HydrophobicContact CG-CD1 4.16Å; F7-Y34 AromaticContact CG-CD2 3.43Å; F7-Y34 HydrophobicContact CG-CD2 3.43Å; F7-Y34 VanDerWaalsContact CG-CD2 3.43Å; F7-Y34 HydrophobicContact CG-CE1 4.46Å; F7-Y34 AromaticContact CG-CE2 3.81Å; F7-Y34 HydrophobicContact CG-CE2 3.81Å; F7-Y34 AromaticContact CG-CG 3.62Å; F7-Y34 HydrophobicContact CG-CG 3.62Å; F7-Y34 HydrophobicContact CZ-CG 4.26Å; F7-V48 HydrophobicContact CE1-CG2 3.57Å; F7-V48 HydrophobicContact CZ-CG2 3.96Å; F7-A77 HydrophobicContact CD1-CB 3.95Å; F7-A77 HydrophobicContact CD2-CB 4.3Å; F7-A77 HydrophobicContact CE1-CB 3.91Å; F7-A77 HydrophobicContact CE2-CB 4.26Å; F7-A77 HydrophobicContact CG-CB 4.14Å; F7-A77 HydrophobicContact CZ-CB 4.06Å; F7-Y79 HydrophobicContact CB-CD1 4.38Å; F7-Y79 HydrophobicContact CB-CE1 3.72Å; F7-Y79 AromaticContact CD1-CD1 3.7Å; F7-Y79 HydrophobicContact CD1-CD1 3.7Å; F7-Y79 HydrophobicContact CD1-CD2 4.1Å; F7-Y79 AromaticContact CD1-CE1 3.85Å; F7-Y79 HydrophobicContact CD1-CE1 3.85Å; F7-Y79 HydrophobicContact CD1-CE2 4.21Å; F7-Y79 AromaticContact CD1-CG 3.84Å; F7-Y79 HydrophobicContact CD1-CG 3.84Å; F7-Y79 HydrophobicContact CE1-CD1 4.47Å; F7-Y79 HydrophobicContact CE1-CG 4.33Å; F7-Y79 HydrophobicContact CG-CD1 4.39Å; F7-Y79 HydrophobicContact CG-CE1 4.21Å |
| 8 | G | 89.1 | Confident | 92.5 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -102.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C6 | C6-G8 PolarHBondContact O-N 2.84Š|
| 9 | R | 89.8 | Confident | 92.1 | Very high | 249 Ų | 249 | 55.9 Ų | 55.9 | 94% | 0.94 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -23.7 | 176.3 | -64 | -176.1 | -176.3 | 168.4 | 5.3 | 113.7 | F7 | F7-R9 PolarHBondContact O-N 3.03Š|
| 10 | T | 91.9 | Very high | 92 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 27% | 0.27 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 136.4 | -177.3 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | F7 V12 Y34 A37 I38 | F7-T10 PolarHBondContact N-O 3.02Å; F7-T10 PolarHBondContact O-N 2.93Å; T10-V12 HydrophobicContact CG2-CG2 4.36Å; T10-Y34 HydrophobicContact CG2-CD2 3.79Å; T10-Y34 HydrophobicContact CG2-CE2 3.84Å; T10-A37 HydrophobicContact CG2-CB 4.2Å; T10-I38 HydrophobicContact CG2-CG2 4.5Å |
| 11 | R | 95.4 | Very high | 92 | Very high | 166 Ų | 166 | 57.8 Ų | 57.8 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.2 | 179.4 | -63.8 | -172.8 | 177.5 | 156.6 | 1 | 110.7 | T4 C6 | T4-R11 HydrophobicContact CG2-CB 4.26Å; C6-R11 HydrophobicContact CB-CG 4.46Å |
| 12 | V | 95.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.7 | -169.8 | 174.1 | 0 | 0 | 0 | 0 | 109 | V5 F7 T10 V14 R33 Y34 | V5-V12 PolarHBondContact N-O 3.12Å; V5-V12 PolarHBondContact O-N 3.01Å; F7-V12 HydrophobicContact CD2-CB 4.42Å; F7-V12 HydrophobicContact CD2-CG2 4.02Å; F7-V12 HydrophobicContact CE2-CB 4.34Å; F7-V12 HydrophobicContact CE2-CG2 4.22Å; T10-V12 HydrophobicContact CG2-CG2 4.36Å; V12-V14 HydrophobicContact CG1-CG2 4.23Å; V12-R33 HydrophobicContact CG1-CB 3.33Å; V12-R33 HydrophobicContact CG1-CG 4.36Å; V12-Y34 HydrophobicContact CG2-CD2 4.35Å |
| 13 | V | 95.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 53.2 Ų | 53.2 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.3 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | K2 V3 T4 R33 | K2-V13 HydrophobicContact CB-CG1 4.32Å; V3-V13 WeakPolarHBondContact O-CA 3.23Å; T4-V13 HydrophobicContact CG2-CG2 4.42Å; V13-R33 PolarHBondContact O-NH1 2.7Å |
| 14 | V | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123 | 175.4 | -170.4 | 0 | 0 | 0 | 0 | 109 | K2 V3 V5 V12 C16 L26 Q29 A30 | K2-V14 CarbonylContact C-O 3.53Å; K2-V14 WeakPolarHBondContact CA-O 3.47Å; V3-V14 PolarHBondContact N-O 3.19Å; V3-V14 PolarHBondContact O-N 2.79Å; V5-V14 HydrophobicContact CG2-CG2 4.4Å; V12-V14 HydrophobicContact CG1-CG2 4.23Å; V14-C16 PolarHBondContact O-SG 3.44Å; V14-L26 HydrophobicContact CB-CD1 3.59Å; V14-L26 HydrophobicContact CG1-CD1 3.72Å; V14-L26 HydrophobicContact CG2-CD1 3.74Å; V14-Q29 HydrophobicContact CG1-CB 3.67Å; V14-A30 HydrophobicContact CG2-CB 3.95Å |
| 15 | P | 92.8 | Very high | 92.2 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 111 | 172.4 | 32.2 | -29.9 | 0 | 0 | 0 | 109.5 | R33 | P15-R33 VanDerWaalsContact CD-NH2 3.34Å |
| 16 | C | 89.3 | Confident | 92.1 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | trans | -97.9 | 15.1 | -170.1 | -54.4 | 0 | 0 | 0 | 0 | 113.3 | M1 V14 D18 G19 V21 L65 | M1-C16 HydrophobicContact CB-CB 4.17Å; M1-C16 HydrophobicContact CG-CB 4.21Å; M1-C16 PolarHBondContact O-N 2.98Å; M1-C16 HydrophobicContact SD-CB 4.21Å; V14-C16 PolarHBondContact O-SG 3.44Å; C16-D18 PolarHBondContact O-N 3.11Å; C16-G19 PolarHBondContact O-N 3.48Å; C16-V21 HydrophobicContact CB-CG2 4.12Å; C16-L65 HydrophobicContact CB-CD2 3.64Å; C16-L65 WeakPolarHBondContact SG-CD2 3.45Å | ||
| 17 | G | 89.4 | Confident | 92.1 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -123.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | M1 G19 | M1-G17 WeakPolarHBondContact CA-O 3.41Å; M1-G17 VanDerWaalsContact CB-O 3.28Å; M1-G17 WeakPolarHBondContact CB-O 3.39Å; M1-G17 PolarHBondContact N-O 3.05Å; G17-G19 VanDerWaalsContact C-N 3.33Å |
| 18 | D | 86.1 | Confident | 92 | Very high | 136 Ų | 136 | 63.7 Ų | 63.7 | 73% | 0.727 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 0.5 | 179 | -48.6 | -61.5 | 0 | 0 | 0 | 113.3 | C16 | C16-D18 PolarHBondContact O-N 3.11Š|
| 19 | G | 85.1 | Confident | 92.2 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 91.3 | -1.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1 C16 G17 V21 L65 C66 | M1-G19 WeakPolarHBondContact SD-CA 3.18Å; C16-G19 PolarHBondContact O-N 3.48Å; G17-G19 VanDerWaalsContact C-N 3.33Å; G19-V21 PolarHBondContact O-N 2.77Å; G19-L65 PolarHBondContact O-N 2.8Å; G19-C66 VanDerWaalsContact C-SG 3.56Å; G19-C66 PolarHBondContact O-N 2.95Å; G19-C66 PolarHBondContact O-SG 3.36Å |
| 20 | N | 89.1 | Confident | 92.4 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 65% | 0.652 | 27% | 0.274 | S | S | * | . | trans | -71 | 49.3 | 174.8 | -61.2 | -26.3 | 0 | 0 | 0 | 112.9 | ||||
| 21 | V | 91.8 | Very high | 92.5 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -135.3 | 145 | 178.4 | -66.8 | 0 | 0 | 0 | 0 | 108.8 | C16 G19 N25 L65 | C16-V21 HydrophobicContact CB-CG2 4.12Å; G19-V21 PolarHBondContact O-N 2.77Å; V21-N25 HydrophobicContact CB-CB 4.16Å; V21-L65 HydrophobicContact CG2-CB 4.08Å; V21-L65 HydrophobicContact CG2-CD2 3.85Å; V21-L65 VanDerWaalsContact O-CB 3.27Å; V21-L65 WeakPolarHBondContact O-CB 3.44Å; V21-L65 PolarHBondContact O-N 2.85Å |
| 22 | K | 94.5 | Very high | 92.3 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -64.3 | 152.5 | 172.4 | -78.4 | -170.6 | 168.3 | -167.8 | 0 | 111.8 | Q24 N25 L26 D62 D63 M64 | K22-Q24 HydrophobicContact CB-CB 4.28Å; K22-Q24 PolarHBondContact O-N 2.89Å; K22-N25 WeakPolarHBondContact O-CA 3.21Å; K22-N25 WeakPolarHBondContact O-CB 3.37Å; K22-N25 PolarHBondContact O-N 2.91Å; K22-L26 PolarHBondContact O-N 2.92Å; K22-D62 WeakPolarHBondContact CE-O 3.28Å; K22-D62 IonicContact NZ-OD1 2.69Å; K22-D62 PolarHBondContact NZ-OD1 2.74Å; K22-D63 VanDerWaalsContact CA-O 3.31Å; K22-D63 WeakPolarHBondContact CA-O 3.49Å; K22-M64 HydrophobicContact CD-CE 4.34Å; K22-M64 HydrophobicContact CG-CE 3.43Å; K22-M64 VanDerWaalsContact CG-CE 3.43Å |
| 23 | V | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.9 | -37 | 166.5 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | N25 L26 I27 L51 L59 D60 D63 L65 V68 | V23-N25 PolarHBondContact O-N 3.09Å; V23-L26 WeakPolarHBondContact O-CB 3.4Å; V23-L26 PolarHBondContact O-N 3.43Å; V23-I27 HydrophobicContact CG1-CD1 4.19Å; V23-I27 WeakPolarHBondContact O-CG1 3.35Å; V23-I27 PolarHBondContact O-N 3.43Å; V23-L51 HydrophobicContact CG1-CD1 4.43Å; V23-L59 HydrophobicContact CG1-CB 3.85Å; V23-L59 HydrophobicContact CG1-CD1 4.42Å; V23-L59 HydrophobicContact CG2-CB 4.22Å; V23-L59 HydrophobicContact CG2-CD1 4.5Å; V23-D60 VanDerWaalsContact CB-O 3.28Å; V23-D60 WeakPolarHBondContact CB-O 3.01Å; V23-D60 WeakPolarHBondContact CG2-O 3.31Å; V23-D63 HydrophobicContact CG2-CB 4.23Å; V23-D63 PolarHBondContact N-O 2.9Å; V23-D63 VanDerWaalsContact N-O 3.1Å; V23-L65 HydrophobicContact CG2-CD1 4.36Å; V23-V68 HydrophobicContact CG2-CG2 4.15Å |
| 24 | Q | 93.4 | Very high | 92.1 | Very high | 83 Ų | 83 | 50 Ų | 50 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.9 | -46.7 | 169.2 | -174.3 | -170.9 | -23.7 | 0 | 0 | 113.1 | K22 L26 I27 E28 L61 | K22-Q24 HydrophobicContact CB-CB 4.28Å; K22-Q24 PolarHBondContact O-N 2.89Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.17Å; Q24-I27 WeakPolarHBondContact O-CB 3.13Å; Q24-I27 PolarHBondContact O-N 3.04Å; Q24-I27 VanDerWaalsContact O-N 3.13Å; Q24-E28 PolarHBondContact NE2-OE1 3.37Å; Q24-E28 PolarHBondContact O-N 3.1Å; Q24-L61 PolarHBondContact N-O 3.38Å |
| 25 | N | 93.1 | Very high | 91.8 | Very high | 64 Ų | 64 | 52.2 Ų | 52.2 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.8 | -33.3 | -179.7 | -67 | -7 | 0 | 0 | 0 | 111.5 | V21 K22 V23 Q29 | V21-N25 HydrophobicContact CB-CB 4.16Å; K22-N25 WeakPolarHBondContact O-CA 3.21Å; K22-N25 WeakPolarHBondContact O-CB 3.37Å; K22-N25 PolarHBondContact O-N 2.91Å; V23-N25 PolarHBondContact O-N 3.09Å; N25-Q29 VanDerWaalsContact O-CG 3.3Å; N25-Q29 WeakPolarHBondContact O-CG 3.31Å; N25-Q29 PolarHBondContact O-N 2.98Å |
| 26 | L | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 169.9 | 170.6 | 60.2 | 0 | 0 | 0 | 110.9 | V3 V5 V14 K22 V23 Q24 E28 Q29 A30 L51 L65 L75 | V3-L26 HydrophobicContact CB-CD1 4.39Å; V3-L26 HydrophobicContact CB-CD2 4.33Å; V3-L26 HydrophobicContact CG1-CD2 4.09Å; V5-L26 HydrophobicContact CG2-CD1 4.08Å; V5-L26 HydrophobicContact CG2-CG 4.39Å; V14-L26 HydrophobicContact CB-CD1 3.59Å; V14-L26 HydrophobicContact CG1-CD1 3.72Å; V14-L26 HydrophobicContact CG2-CD1 3.74Å; K22-L26 PolarHBondContact O-N 2.92Å; V23-L26 WeakPolarHBondContact O-CB 3.4Å; V23-L26 PolarHBondContact O-N 3.43Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.17Å; L26-E28 PolarHBondContact O-N 3.14Å; L26-Q29 PolarHBondContact O-N 2.77Å; L26-A30 WeakPolarHBondContact O-CB 3.44Å; L26-A30 PolarHBondContact O-N 2.72Å; L26-L51 HydrophobicContact CD2-CD1 3.63Å; L26-L51 HydrophobicContact CG-CD1 3.81Å; L26-L65 HydrophobicContact CB-CD2 4.26Å; L26-L65 HydrophobicContact CD2-CD1 3.45Å; L26-L65 VanDerWaalsContact CD2-CD1 3.45Å; L26-L65 HydrophobicContact CD2-CD2 3.84Å; L26-L65 HydrophobicContact CD2-CG 4.3Å; L26-L65 HydrophobicContact CG-CD2 4.46Å; L26-L75 HydrophobicContact CD2-CD1 3.73Å |
| 27 | I | 94.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.1 | -49.9 | 177.1 | -77.9 | 167.2 | 0 | 0 | 0 | 111.5 | V23 Q24 Q29 A30 A31 V48 L51 L61 | V23-I27 HydrophobicContact CG1-CD1 4.19Å; V23-I27 WeakPolarHBondContact O-CG1 3.35Å; V23-I27 PolarHBondContact O-N 3.43Å; Q24-I27 WeakPolarHBondContact O-CB 3.13Å; Q24-I27 PolarHBondContact O-N 3.04Å; Q24-I27 VanDerWaalsContact O-N 3.13Å; I27-Q29 PolarHBondContact O-N 2.7Å; I27-A30 PolarHBondContact O-N 2.72Å; I27-A31 WeakPolarHBondContact O-CB 3.4Å; I27-A31 PolarHBondContact O-N 2.75Å; I27-V48 HydrophobicContact CD1-CG1 4.42Å; I27-V48 HydrophobicContact CG1-CG1 4.1Å; I27-V48 HydrophobicContact CG2-CB 3.69Å; I27-V48 HydrophobicContact CG2-CG1 3.96Å; I27-V48 HydrophobicContact CG2-CG2 4.35Å; I27-L51 HydrophobicContact CD1-CG 4.08Å; I27-L51 HydrophobicContact CG1-CD1 3.74Å; I27-L51 HydrophobicContact CG1-CD2 4.07Å; I27-L51 HydrophobicContact CG1-CG 3.58Å; I27-L61 HydrophobicContact CD1-CD2 3.37Å |
| 28 | E | 92.4 | Very high | 91.7 | Very high | 97 Ų | 97 | 60.1 Ų | 60.1 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | -179.7 | -69.7 | 174.7 | -158.9 | 0 | 0 | 111.7 | Q24 L26 A31 M32 | Q24-E28 PolarHBondContact NE2-OE1 3.37Å; Q24-E28 PolarHBondContact O-N 3.1Å; L26-E28 PolarHBondContact O-N 3.14Å; E28-A31 PolarHBondContact O-N 2.7Å; E28-M32 WeakPolarHBondContact O-CG 3.39Å; E28-M32 PolarHBondContact O-N 3.27Å |
| 29 | Q | 93.6 | Very high | 91.5 | Very high | 60 Ų | 60 | 58.1 Ų | 58.1 | 28% | 0.28 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 176.4 | -69.7 | -178.2 | 42.9 | 0 | 0 | 113.1 | V14 N25 L26 I27 M32 R33 | V14-Q29 HydrophobicContact CG1-CB 3.67Å; N25-Q29 VanDerWaalsContact O-CG 3.3Å; N25-Q29 WeakPolarHBondContact O-CG 3.31Å; N25-Q29 PolarHBondContact O-N 2.98Å; L26-Q29 PolarHBondContact O-N 2.77Å; I27-Q29 PolarHBondContact O-N 2.7Å; Q29-M32 HydrophobicContact CG-CE 4.34Å; Q29-R33 WeakPolarHBondContact O-CB 3.34Å; Q29-R33 WeakPolarHBondContact O-CD 3.37Å; Q29-R33 VanDerWaalsContact O-CG 3.24Å; Q29-R33 WeakPolarHBondContact O-CG 3.49Å; Q29-R33 PolarHBondContact O-N 2.84Å; Q29-R33 VanDerWaalsContact O-N 3.11Å |
| 30 | A | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V5 F7 V14 L26 I27 R33 Y34 | V5-A30 HydrophobicContact CB-CB 3.98Å; V5-A30 HydrophobicContact CG1-CB 4.07Å; V5-A30 HydrophobicContact CG2-CB 3.87Å; F7-A30 HydrophobicContact CE2-CB 3.94Å; F7-A30 HydrophobicContact CZ-CB 3.93Å; V14-A30 HydrophobicContact CG2-CB 3.95Å; L26-A30 WeakPolarHBondContact O-CB 3.44Å; L26-A30 PolarHBondContact O-N 2.72Å; I27-A30 PolarHBondContact O-N 2.72Å; A30-R33 PolarHBondContact O-N 3.08Å; A30-Y34 WeakPolarHBondContact O-CB 3.19Å; A30-Y34 PolarHBondContact O-N 2.91Å |
| 31 | A | 92.8 | Very high | 90.7 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I27 E28 R33 Y34 K35 V48 | I27-A31 WeakPolarHBondContact O-CB 3.4Å; I27-A31 PolarHBondContact O-N 2.75Å; E28-A31 PolarHBondContact O-N 2.7Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 3.32Å; A31-Y34 WeakPolarHBondContact O-CB 3.47Å; A31-Y34 PolarHBondContact O-N 2.68Å; A31-K35 WeakPolarHBondContact O-CG 3.28Å; A31-K35 PolarHBondContact O-N 2.79Å; A31-V48 HydrophobicContact CB-CG2 4.22Å |
| 32 | M | 91.1 | Very high | 89.6 | Confident | 124 Ų | 124 | 65.2 Ų | 65.2 | 61% | 0.611 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.8 | -43.2 | 174.8 | -76.5 | -170.4 | -74.6 | 0 | 0 | 112.4 | E28 Q29 K36 | E28-M32 WeakPolarHBondContact O-CG 3.39Å; E28-M32 PolarHBondContact O-N 3.27Å; Q29-M32 HydrophobicContact CG-CE 4.34Å; M32-K36 PolarHBondContact O-N 2.94Å |
| 33 | R | 92.8 | Very high | 88.7 | Confident | 112 Ų | 112 | 66.6 Ų | 66.6 | 42% | 0.423 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.9 | -31.6 | 177.8 | -72.5 | 170 | 173.7 | -101.8 | -15 | 112.3 | V12 V13 P15 Q29 A30 A31 K36 A37 | V12-R33 HydrophobicContact CG1-CB 3.33Å; V12-R33 HydrophobicContact CG1-CG 4.36Å; V13-R33 PolarHBondContact O-NH1 2.7Å; P15-R33 VanDerWaalsContact CD-NH2 3.34Å; Q29-R33 WeakPolarHBondContact O-CB 3.34Å; Q29-R33 WeakPolarHBondContact O-CD 3.37Å; Q29-R33 VanDerWaalsContact O-CG 3.24Å; Q29-R33 WeakPolarHBondContact O-CG 3.49Å; Q29-R33 PolarHBondContact O-N 2.84Å; Q29-R33 VanDerWaalsContact O-N 3.11Å; A30-R33 PolarHBondContact O-N 3.08Å; A31-R33 VanDerWaalsContact C-N 3.33Å; A31-R33 PolarHBondContact O-N 3.32Å; R33-K36 PolarHBondContact O-N 3.42Å; R33-A37 WeakPolarHBondContact O-CB 3.47Å; R33-A37 PolarHBondContact O-N 3.33Å |
| 34 | Y | 93.7 | Very high | 88.2 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.7 | -52.8 | 172.9 | 177.2 | -114.4 | 0 | 0 | 0 | 111.6 | F7 T10 V12 A30 A31 K36 A37 I38 V46 Y79 E81 | F7-Y34 HydrophobicContact CB-CD2 3.42Å; F7-Y34 VanDerWaalsContact CB-CD2 3.42Å; F7-Y34 HydrophobicContact CB-CE1 4.47Å; F7-Y34 HydrophobicContact CB-CE2 3.29Å; F7-Y34 HydrophobicContact CB-CG 4.08Å; F7-Y34 AromaticContact CD1-CD1 3.65Å; F7-Y34 HydrophobicContact CD1-CD1 3.65Å; F7-Y34 AromaticContact CD1-CD2 3.83Å; F7-Y34 HydrophobicContact CD1-CD2 3.83Å; F7-Y34 AromaticContact CD1-CE1 3.98Å; F7-Y34 HydrophobicContact CD1-CE1 3.98Å; F7-Y34 HydrophobicContact CD1-CE2 4.16Å; F7-Y34 AromaticContact CD1-CG 3.56Å; F7-Y34 HydrophobicContact CD1-CG 3.56Å; F7-Y34 AromaticContact CD2-CD2 3.83Å; F7-Y34 HydrophobicContact CD2-CD2 3.83Å; F7-Y34 AromaticContact CD2-CG 3.99Å; F7-Y34 HydrophobicContact CD2-CG 3.99Å; F7-Y34 AromaticContact CE1-CD1 3.96Å; F7-Y34 HydrophobicContact CE1-CD1 3.96Å; F7-Y34 AromaticContact CE1-CG 3.89Å; F7-Y34 HydrophobicContact CE1-CG 3.89Å; F7-Y34 HydrophobicContact CE2-CG 4.3Å; F7-Y34 HydrophobicContact CG-CD1 4.16Å; F7-Y34 AromaticContact CG-CD2 3.43Å; F7-Y34 HydrophobicContact CG-CD2 3.43Å; F7-Y34 VanDerWaalsContact CG-CD2 3.43Å; F7-Y34 HydrophobicContact CG-CE1 4.46Å; F7-Y34 AromaticContact CG-CE2 3.81Å; F7-Y34 HydrophobicContact CG-CE2 3.81Å; F7-Y34 AromaticContact CG-CG 3.62Å; F7-Y34 HydrophobicContact CG-CG 3.62Å; F7-Y34 HydrophobicContact CZ-CG 4.26Å; T10-Y34 HydrophobicContact CG2-CD2 3.79Å; T10-Y34 HydrophobicContact CG2-CE2 3.84Å; V12-Y34 HydrophobicContact CG2-CD2 4.35Å; A30-Y34 WeakPolarHBondContact O-CB 3.19Å; A30-Y34 PolarHBondContact O-N 2.91Å; A31-Y34 WeakPolarHBondContact O-CB 3.47Å; A31-Y34 PolarHBondContact O-N 2.68Å; Y34-K36 PolarHBondContact O-N 2.85Å; Y34-A37 WeakPolarHBondContact O-CA 3.4Å; Y34-A37 WeakPolarHBondContact O-CB 3.29Å; Y34-A37 PolarHBondContact O-N 2.99Å; Y34-I38 HydrophobicContact CD1-CD1 4.19Å; Y34-I38 HydrophobicContact CD2-CG2 4.09Å; Y34-I38 HydrophobicContact CE1-CD1 3.77Å; Y34-I38 HydrophobicContact CE1-CG2 4.49Å; Y34-I38 HydrophobicContact CE2-CG2 3.58Å; Y34-I38 WeakPolarHBondContact O-CG1 3.05Å; Y34-I38 PolarHBondContact O-N 3.45Å; Y34-V46 HydrophobicContact CD1-CG1 4.02Å; Y34-V46 HydrophobicContact CD1-CG2 4.19Å; Y34-V46 HydrophobicContact CE1-CG1 4.17Å; Y34-V46 HydrophobicContact CE1-CG2 4.17Å; Y34-Y79 AromaticContact CE1-CE2 3.92Å; Y34-Y79 HydrophobicContact CE1-CE2 3.92Å; Y34-Y79 PolarHBondContact OH-OH 2.85Å; Y34-Y79 VanDerWaalsContact OH-OH 3.08Å; Y34-E81 PolarHBondContact OH-OE2 3.24Å |
| 35 | K | 89.9 | Confident | 87.8 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -51.7 | -43.7 | 175.3 | -67.5 | -177.9 | -170.2 | -165.1 | 0 | 111.8 | A31 I38 A39 K40 Y44 V46 | A31-K35 WeakPolarHBondContact O-CG 3.28Å; A31-K35 PolarHBondContact O-N 2.79Å; K35-I38 VanDerWaalsContact O-CG1 3.31Å; K35-I38 WeakPolarHBondContact O-CG1 3.41Å; K35-A39 PolarHBondContact O-N 2.77Å; K35-K40 PolarHBondContact O-N 2.97Å; K35-Y44 WeakPolarHBondContact CD-O 3.47Å; K35-Y44 WeakPolarHBondContact CE-O 3.22Å; K35-Y44 PolarHBondContact NZ-O 2.73Å; K35-V46 HydrophobicContact CG-CG2 4.05Å |
| 36 | K | 89.1 | Confident | 87.6 | Confident | 176 Ų | 176 | 66.8 Ų | 66.8 | 77% | 0.765 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.4 | -36.1 | 175.5 | -173.2 | 170.3 | -177.6 | 172.6 | 0 | 113.6 | M32 R33 Y34 A39 | M32-K36 PolarHBondContact O-N 2.94Å; R33-K36 PolarHBondContact O-N 3.42Å; Y34-K36 PolarHBondContact O-N 2.85Å; K36-A39 PolarHBondContact O-N 2.83Å |
| 37 | A | 90.1 | Very high | 87.4 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 53% | 0.529 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.1 | -30.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T10 R33 Y34 A39 | T10-A37 HydrophobicContact CG2-CB 4.2Å; R33-A37 WeakPolarHBondContact O-CB 3.47Å; R33-A37 PolarHBondContact O-N 3.33Å; Y34-A37 WeakPolarHBondContact O-CA 3.4Å; Y34-A37 WeakPolarHBondContact O-CB 3.29Å; Y34-A37 PolarHBondContact O-N 2.99Å; A37-A39 VanDerWaalsContact C-N 3.29Å |
| 38 | I | 89.1 | Confident | 87.4 | Confident | 41 Ų | 41 | 71.2 Ų | 71.2 | 21% | 0.21 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 4.4 | 174.1 | 67.4 | -177.1 | 0 | 0 | 0 | 113.4 | T10 Y34 K35 K40 Y44 | T10-I38 HydrophobicContact CG2-CG2 4.5Å; Y34-I38 HydrophobicContact CD1-CD1 4.19Å; Y34-I38 HydrophobicContact CD2-CG2 4.09Å; Y34-I38 HydrophobicContact CE1-CD1 3.77Å; Y34-I38 HydrophobicContact CE1-CG2 4.49Å; Y34-I38 HydrophobicContact CE2-CG2 3.58Å; Y34-I38 WeakPolarHBondContact O-CG1 3.05Å; Y34-I38 PolarHBondContact O-N 3.45Å; K35-I38 VanDerWaalsContact O-CG1 3.31Å; K35-I38 WeakPolarHBondContact O-CG1 3.41Å; I38-K40 HydrophobicContact CD1-CB 4.38Å; I38-K40 HydrophobicContact CD1-CD 3.7Å; I38-K40 HydrophobicContact CD1-CG 4.12Å; I38-K40 HydrophobicContact CG1-CB 4.12Å; I38-K40 HydrophobicContact CG1-CD 4.13Å; I38-K40 HydrophobicContact CG1-CG 3.96Å; I38-K40 PolarHBondContact O-N 3.44Å; I38-K40 VanDerWaalsContact O-N 3.09Å; I38-Y44 HydrophobicContact CD1-CD1 4.35Å; I38-Y44 HydrophobicContact CD1-CE1 4.27Å |
| 39 | A | 83.2 | Confident | 87.2 | Confident | 93 Ų | 93 | 70.4 Ų | 70.4 | 77% | 0.769 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 24.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K35 K36 A37 | K35-A39 PolarHBondContact O-N 2.77Å; K36-A39 PolarHBondContact O-N 2.83Å; A37-A39 VanDerWaalsContact C-N 3.29Å |
| 40 | K | 81.8 | Confident | 87.1 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | trans | -85 | 159.6 | 173.2 | -67.3 | -177.7 | -176 | 172 | 0 | 110.9 | K35 I38 Y44 E81 | K35-K40 PolarHBondContact O-N 2.97Å; I38-K40 HydrophobicContact CD1-CB 4.38Å; I38-K40 HydrophobicContact CD1-CD 3.7Å; I38-K40 HydrophobicContact CD1-CG 4.12Å; I38-K40 HydrophobicContact CG1-CB 4.12Å; I38-K40 HydrophobicContact CG1-CD 4.13Å; I38-K40 HydrophobicContact CG1-CG 3.96Å; I38-K40 PolarHBondContact O-N 3.44Å; I38-K40 VanDerWaalsContact O-N 3.09Å; K40-Y44 HydrophobicContact CB-CD1 3.95Å; K40-Y44 HydrophobicContact CB-CG 3.91Å; K40-Y44 HydrophobicContact CD-CD1 3.36Å; K40-Y44 HydrophobicContact CD-CD2 3.99Å; K40-Y44 HydrophobicContact CD-CE1 3.27Å; K40-Y44 HydrophobicContact CD-CE2 3.95Å; K40-Y44 HydrophobicContact CD-CG 3.72Å; K40-Y44 HydrophobicContact CG-CD1 4.29Å; K40-Y44 HydrophobicContact CG-CG 4.43Å; K40-Y44 PolarHBondContact NZ-OH 3.44Å; K40-E81 IonicContact NZ-OE1 2.68Å; K40-E81 PolarHBondContact NZ-OE1 3.04Å | ||
| 41 | D | 74.9 | Confident | 87.1 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 54% | 0.535 | 37% | 0.372 | S | S | . | . | trans | -59.8 | 149.8 | -178.1 | -172.6 | -91.9 | 0 | 0 | 0 | 112.6 | S43 Y44 | D41-S43 PolarHBondContact O-N 3.4Å; D41-S43 VanDerWaalsContact O-N 3.15Å; D41-S43 VanDerWaalsContact OD1-CB 3.23Å; D41-S43 WeakPolarHBondContact OD1-CB 3.05Å; D41-S43 PolarHBondContact OD1-N 3.45Å; D41-S43 PolarHBondContact OD1-OG 2.87Å; D41-Y44 WeakPolarHBondContact O-CB 2.97Å; D41-Y44 PolarHBondContact O-N 3.47Å | ||
| 42 | P | 69.6 | Low | 87.1 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 75% | 0.747 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -28 | 175.6 | -28.3 | 37.4 | 0 | 0 | 0 | 115.2 | Y44 | P42-Y44 PolarHBondContact O-N 3.45Š|
| 43 | S | 75.2 | Confident | 87.1 | Confident | 100 Ų | 100 | 68.9 Ų | 68.9 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -17.4 | 174 | 63.5 | 0 | 0 | 0 | 0 | 113.9 | D41 W45 | D41-S43 PolarHBondContact O-N 3.4Å; D41-S43 VanDerWaalsContact O-N 3.15Å; D41-S43 VanDerWaalsContact OD1-CB 3.23Å; D41-S43 WeakPolarHBondContact OD1-CB 3.05Å; D41-S43 PolarHBondContact OD1-N 3.45Å; D41-S43 PolarHBondContact OD1-OG 2.87Å; S43-W45 PolarHBondContact O-N 3.42Å |
| 44 | Y | 83.4 | Confident | 86.4 | Confident | 42 Ų | 42 | 67 Ų | 67 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | trans | -60.8 | 129.5 | -174.5 | -173.5 | -111.6 | 0 | 0 | 0 | 112 | K35 I38 K40 D41 P42 V46 E81 Q82 | K35-Y44 WeakPolarHBondContact CD-O 3.47Å; K35-Y44 WeakPolarHBondContact CE-O 3.22Å; K35-Y44 PolarHBondContact NZ-O 2.73Å; I38-Y44 HydrophobicContact CD1-CD1 4.35Å; I38-Y44 HydrophobicContact CD1-CE1 4.27Å; K40-Y44 HydrophobicContact CB-CD1 3.95Å; K40-Y44 HydrophobicContact CB-CG 3.91Å; K40-Y44 HydrophobicContact CD-CD1 3.36Å; K40-Y44 HydrophobicContact CD-CD2 3.99Å; K40-Y44 HydrophobicContact CD-CE1 3.27Å; K40-Y44 HydrophobicContact CD-CE2 3.95Å; K40-Y44 HydrophobicContact CD-CG 3.72Å; K40-Y44 HydrophobicContact CG-CD1 4.29Å; K40-Y44 HydrophobicContact CG-CG 4.43Å; K40-Y44 PolarHBondContact NZ-OH 3.44Å; D41-Y44 WeakPolarHBondContact O-CB 2.97Å; D41-Y44 PolarHBondContact O-N 3.47Å; P42-Y44 PolarHBondContact O-N 3.45Å; Y44-V46 HydrophobicContact CD1-CG2 3.87Å; Y44-V46 HydrophobicContact CE1-CG2 3.85Å; Y44-E81 HydrophobicContact CE1-CG 3.66Å; Y44-E81 VanDerWaalsContact CE1-OE1 3.31Å; Y44-E81 WeakPolarHBondContact CE1-OE1 3.31Å; Y44-E81 WeakPolarHBondContact OH-CG 3.43Å; Y44-E81 PolarHBondContact OH-OE1 3Å; Y44-Q82 HydrophobicContact CE2-CB 3.93Å; Y44-Q82 PolarHBondContact OH-N 3.44Å; Y44-Q82 PolarHBondContact OH-O 2.85Å | ||
| 45 | W | 84.1 | Confident | 85.9 | Confident | 95 Ų | 95 | 73.3 Ų | 73.3 | 36% | 0.36 | 41% | 0.406 | S | S | . | . | trans | -87.2 | 129.3 | -172.8 | -175.9 | 93.6 | 0 | 0 | 0 | 112.4 | S43 Q47 E80 Q82 | S43-W45 PolarHBondContact O-N 3.42Å; W45-Q47 HydrophobicContact CH2-CB 3.87Å; W45-Q47 HydrophobicContact CZ2-CB 3.57Å; W45-E80 HydrophobicContact CH2-CB 4.09Å; W45-E80 HydrophobicContact CH2-CG 3.97Å; W45-E80 HydrophobicContact CZ3-CB 4.1Å; W45-E80 HydrophobicContact CZ3-CG 3.83Å; W45-Q82 HydrophobicContact CB-CB 4.12Å; W45-Q82 HydrophobicContact CB-CG 4.38Å; W45-Q82 HydrophobicContact CE3-CB 3.95Å; W45-Q82 HydrophobicContact CE3-CG 4.32Å; W45-Q82 PolarHBondContact O-N 2.76Å; W45-Q82 VanDerWaalsContact O-N 3.15Å | ||
| 46 | V | 90.3 | Very high | 85.2 | Confident | 13 Ų | 13 | 73.3 Ų | 73.3 | 8% | 0.079 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 123.8 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 106.2 | Y34 K35 Y44 Y79 E80 E81 | Y34-V46 HydrophobicContact CD1-CG1 4.02Å; Y34-V46 HydrophobicContact CD1-CG2 4.19Å; Y34-V46 HydrophobicContact CE1-CG1 4.17Å; Y34-V46 HydrophobicContact CE1-CG2 4.17Å; K35-V46 HydrophobicContact CG-CG2 4.05Å; Y44-V46 HydrophobicContact CD1-CG2 3.87Å; Y44-V46 HydrophobicContact CE1-CG2 3.85Å; V46-Y79 HydrophobicContact CG1-CD2 3.91Å; V46-E80 WeakPolarHBondContact CA-O 3.24Å; V46-E81 HydrophobicContact CG2-CG 4.29Å |
| 47 | Q | 89.9 | Confident | 85.2 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.6 | 175 | 177.6 | 168.7 | -4.6 | 0 | 0 | 109.5 | W45 Y79 E80 | W45-Q47 HydrophobicContact CH2-CB 3.87Å; W45-Q47 HydrophobicContact CZ2-CB 3.57Å; Q47-Y79 CarbonylContact O-C 3.48Å; Q47-Y79 WeakPolarHBondContact O-CA 3.31Å; Q47-Y79 WeakPolarHBondContact O-CB 3.02Å; Q47-E80 PolarHBondContact N-O 2.96Å; Q47-E80 PolarHBondContact O-N 2.87Å |
| 48 | V | 93.2 | Very high | 85.3 | Confident | 17 Ų | 17 | 68 Ų | 68 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126 | 168.8 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | F7 I27 A31 R50 L51 A77 | F7-V48 HydrophobicContact CE1-CG2 3.57Å; F7-V48 HydrophobicContact CZ-CG2 3.96Å; I27-V48 HydrophobicContact CD1-CG1 4.42Å; I27-V48 HydrophobicContact CG1-CG1 4.1Å; I27-V48 HydrophobicContact CG2-CB 3.69Å; I27-V48 HydrophobicContact CG2-CG1 3.96Å; I27-V48 HydrophobicContact CG2-CG2 4.35Å; A31-V48 HydrophobicContact CB-CG2 4.22Å; V48-R50 WeakPolarHBondContact CG1-O 3.3Å; V48-L51 HydrophobicContact CG1-CD2 4.02Å; V48-A77 HydrophobicContact CG1-CB 4.29Å |
| 49 | H | 88.7 | Confident | 85.5 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 37% | 0.366 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -35.9 | 179.1 | -48.3 | -79.1 | 0 | 0 | 0 | 112 | V78 E80 | H49-V78 PolarHBondContact N-O 2.82Å; H49-E80 IonicContact CE1-OE2 3.74Å; H49-E80 WeakPolarHBondContact NE2-CB 3.46Å; H49-E80 PolarHBondContact NE2-N 3.45Å; H49-E80 IonicContact NE2-OE2 2.91Å |
| 50 | R | 91.1 | Very high | 85.9 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 166.6 | 178.4 | 61.9 | -176.9 | -173.8 | -86 | -5.1 | 111.4 | V48 E52 I58 V78 | V48-R50 WeakPolarHBondContact CG1-O 3.3Å; R50-E52 IonicContact CZ-OE1 2.76Å; R50-E52 IonicContact NE-OE1 3.71Å; R50-E52 PolarHBondContact NE-OE1 2.89Å; R50-E52 IonicContact NH2-OE1 3.45Å; R50-E52 PolarHBondContact NH2-OE1 2.8Å; R50-I58 HydrophobicContact CB-CG2 4.43Å; R50-V78 HydrophobicContact CG-CB 3.97Å; R50-V78 HydrophobicContact CG-CG2 4.27Å; R50-V78 PolarHBondContact O-N 3.07Å |
| 51 | L | 94.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144 | 165.7 | -59.3 | -177.7 | 0 | 0 | 0 | 109.8 | V5 V23 L26 I27 V48 L59 L75 V76 A77 | V5-L51 HydrophobicContact CG1-CD2 3.73Å; V5-L51 HydrophobicContact CG2-CD1 4.37Å; V23-L51 HydrophobicContact CG1-CD1 4.43Å; L26-L51 HydrophobicContact CD2-CD1 3.63Å; L26-L51 HydrophobicContact CG-CD1 3.81Å; I27-L51 HydrophobicContact CD1-CG 4.08Å; I27-L51 HydrophobicContact CG1-CD1 3.74Å; I27-L51 HydrophobicContact CG1-CD2 4.07Å; I27-L51 HydrophobicContact CG1-CG 3.58Å; V48-L51 HydrophobicContact CG1-CD2 4.02Å; L51-L59 HydrophobicContact CB-CD1 4.12Å; L51-L59 PolarHBondContact O-N 3.25Å; L51-L75 HydrophobicContact CB-CB 4.48Å; L51-L75 HydrophobicContact CB-CD1 4.18Å; L51-L75 HydrophobicContact CD1-CD1 3.72Å; L51-V76 WeakPolarHBondContact CA-O 3.08Å; L51-A77 HydrophobicContact CD2-CB 3.92Å |
| 52 | E | 93.8 | Very high | 87.2 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.5 | 177.7 | -64.7 | 178.6 | 167.2 | 0 | 0 | 109.4 | R50 G57 I58 L75 V76 V78 | R50-E52 IonicContact CZ-OE1 2.76Å; R50-E52 IonicContact NE-OE1 3.71Å; R50-E52 PolarHBondContact NE-OE1 2.89Å; R50-E52 IonicContact NH2-OE1 3.45Å; R50-E52 PolarHBondContact NH2-OE1 2.8Å; E52-G57 CarbonylContact C-O 3.3Å; E52-G57 WeakPolarHBondContact CA-O 3.29Å; E52-I58 HydrophobicContact CG-CG1 4.04Å; E52-L75 CarbonylContact O-C 3.47Å; E52-L75 VanDerWaalsContact O-CA 3.27Å; E52-L75 WeakPolarHBondContact O-CA 3.2Å; E52-V76 HydrophobicContact CB-CB 4.5Å; E52-V76 PolarHBondContact N-O 2.8Å; E52-V76 PolarHBondContact O-N 2.68Å; E52-V78 VanDerWaalsContact CD-CG2 3.46Å; E52-V78 HydrophobicContact CG-CG2 4.06Å; E52-V78 WeakPolarHBondContact OE2-CG2 3.45Å |
| 53 | H | 91.3 | Very high | 88.3 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 21% | 0.208 | 36% | 0.364 | C | S | . | . | trans | -68.9 | 163.5 | 167.3 | -75.7 | 119.8 | 0 | 0 | 0 | 111.5 | D55 G56 G57 L59 V68 L75 | H53-D55 WeakPolarHBondContact CB-OD1 3.39Å; H53-D55 PolarHBondContact O-N 3.11Å; H53-D55 VanDerWaalsContact O-N 3.14Å; H53-G56 PolarHBondContact O-N 2.71Å; H53-G57 PolarHBondContact N-O 3.3Å; H53-L59 WeakPolarHBondContact CE1-CD2 3.37Å; H53-V68 PolarHBondContact CE1-O 3.13Å; H53-V68 PolarHBondContact NE2-O 3.01Å; H53-L75 WeakPolarHBondContact CD2-CD2 3.22Å | ||
| 54 | G | 78.8 | Confident | 89.2 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 75% | 0.753 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 55 | D | 81.8 | Confident | 89.6 | Confident | 140 Ų | 140 | 61.1 Ų | 61.1 | 75% | 0.749 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -10 | 173.8 | 65.8 | -8.9 | 0 | 0 | 0 | 113.5 | H53 G57 | H53-D55 WeakPolarHBondContact CB-OD1 3.39Å; H53-D55 PolarHBondContact O-N 3.11Å; H53-D55 VanDerWaalsContact O-N 3.14Å; D55-G57 PolarHBondContact OD1-N 3.2Å |
| 56 | G | 76.4 | Confident | 90 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 101.8 | 2.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | H53 I58 | H53-G56 PolarHBondContact O-N 2.71Å; G56-I58 PolarHBondContact O-N 2.68Å |
| 57 | G | 89 | Confident | 90 | Very high | 29 Ų | 29 | 64.9 Ų | 64.9 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 120.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E52 H53 D55 | E52-G57 CarbonylContact C-O 3.3Å; E52-G57 WeakPolarHBondContact CA-O 3.29Å; H53-G57 PolarHBondContact N-O 3.3Å; D55-G57 PolarHBondContact OD1-N 3.2Å |
| 58 | I | 91.6 | Very high | 90.1 | Very high | 100 Ų | 100 | 62.7 Ų | 62.7 | 51% | 0.513 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139 | 175.9 | -64.4 | 168 | 0 | 0 | 0 | 109.9 | R50 E52 G56 | R50-I58 HydrophobicContact CB-CG2 4.43Å; E52-I58 HydrophobicContact CG-CG1 4.04Å; G56-I58 PolarHBondContact O-N 2.68Å |
| 59 | L | 92.4 | Very high | 89.9 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 130 | 170.7 | -69.4 | 173.9 | 0 | 0 | 0 | 111.4 | V23 L51 H53 V68 V69 L75 | V23-L59 HydrophobicContact CG1-CB 3.85Å; V23-L59 HydrophobicContact CG1-CD1 4.42Å; V23-L59 HydrophobicContact CG2-CB 4.22Å; V23-L59 HydrophobicContact CG2-CD1 4.5Å; L51-L59 HydrophobicContact CB-CD1 4.12Å; L51-L59 PolarHBondContact O-N 3.25Å; H53-L59 WeakPolarHBondContact CE1-CD2 3.37Å; L59-V68 HydrophobicContact CD2-CB 3.76Å; L59-V68 HydrophobicContact CD2-CG2 3.69Å; L59-V69 HydrophobicContact CD1-CG2 3.52Å; L59-V69 HydrophobicContact CD2-CG2 3.92Å; L59-V69 HydrophobicContact CG-CG2 4.37Å; L59-L75 HydrophobicContact CD1-CD1 3.57Å; L59-L75 HydrophobicContact CD1-CD2 3.8Å; L59-L75 HydrophobicContact CD1-CG 4.33Å |
| 60 | D | 92.9 | Very high | 90 | Very high | 111 Ų | 111 | 63.8 Ų | 63.8 | 59% | 0.594 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -76.4 | 141.7 | 174.2 | -83.4 | -38.7 | 0 | 0 | 0 | 111.4 | V23 D62 D63 | V23-D60 VanDerWaalsContact CB-O 3.28Å; V23-D60 WeakPolarHBondContact CB-O 3.01Å; V23-D60 WeakPolarHBondContact CG2-O 3.31Å; D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 3.35Å; D60-D63 PolarHBondContact O-N 3.33Å |
| 61 | L | 90.3 | Very high | 89.9 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 41% | 0.414 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.9 | -167.7 | -61.7 | 177.2 | 0 | 0 | 0 | 113.9 | Q24 I27 | Q24-L61 PolarHBondContact N-O 3.38Å; I27-L61 HydrophobicContact CD1-CD2 3.37Å |
| 62 | D | 92.9 | Very high | 89.4 | Confident | 105 Ų | 105 | 69.7 Ų | 69.7 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -14.4 | -174.6 | -83 | -58.1 | 0 | 0 | 0 | 114.2 | K22 D60 | K22-D62 WeakPolarHBondContact CE-O 3.28Å; K22-D62 IonicContact NZ-OD1 2.69Å; K22-D62 PolarHBondContact NZ-OD1 2.74Å; D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 3.35Å |
| 63 | D | 93.8 | Very high | 89.3 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 33% | 0.332 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -67.1 | 148.7 | -175.7 | -71 | -17.7 | 0 | 0 | 0 | 112.4 | K22 V23 D60 V68 | K22-D63 VanDerWaalsContact CA-O 3.31Å; K22-D63 WeakPolarHBondContact CA-O 3.49Å; V23-D63 HydrophobicContact CG2-CB 4.23Å; V23-D63 PolarHBondContact N-O 2.9Å; V23-D63 VanDerWaalsContact N-O 3.1Å; D60-D63 PolarHBondContact O-N 3.33Å; D63-V68 HydrophobicContact CB-CG1 4.12Å; D63-V68 HydrophobicContact CB-CG2 3.98Å |
| 64 | M | 93.4 | Very high | 89.3 | Confident | 67 Ų | 67 | 76 Ų | 76 | 33% | 0.33 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 125.5 | 169.1 | -62.4 | -59.9 | 92.3 | 0 | 0 | 108.8 | K22 C66 D67 | K22-M64 HydrophobicContact CD-CE 4.34Å; K22-M64 HydrophobicContact CG-CE 3.43Å; K22-M64 VanDerWaalsContact CG-CE 3.43Å; M64-C66 PolarHBondContact O-N 3.32Å; M64-C66 VanDerWaalsContact O-N 3.11Å; M64-D67 WeakPolarHBondContact O-CB 3.48Å; M64-D67 PolarHBondContact O-N 2.6Å |
| 65 | L | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.8 | -30.8 | -173.8 | -174 | 68 | 0 | 0 | 0 | 113.2 | M1 V3 C16 G19 V21 V23 L26 D67 V68 V69 | M1-L65 HydrophobicContact CE-CD2 4.14Å; M1-L65 HydrophobicContact CE-CG 3.73Å; M1-L65 HydrophobicContact SD-CB 4.4Å; M1-L65 HydrophobicContact SD-CD2 3.74Å; M1-L65 HydrophobicContact SD-CG 3.77Å; V3-L65 HydrophobicContact CG2-CD2 4Å; C16-L65 HydrophobicContact CB-CD2 3.64Å; C16-L65 WeakPolarHBondContact SG-CD2 3.45Å; G19-L65 PolarHBondContact O-N 2.8Å; V21-L65 HydrophobicContact CG2-CB 4.08Å; V21-L65 HydrophobicContact CG2-CD2 3.85Å; V21-L65 VanDerWaalsContact O-CB 3.27Å; V21-L65 WeakPolarHBondContact O-CB 3.44Å; V21-L65 PolarHBondContact O-N 2.85Å; V23-L65 HydrophobicContact CG2-CD1 4.36Å; L26-L65 HydrophobicContact CB-CD2 4.26Å; L26-L65 HydrophobicContact CD2-CD1 3.45Å; L26-L65 VanDerWaalsContact CD2-CD1 3.45Å; L26-L65 HydrophobicContact CD2-CD2 3.84Å; L26-L65 HydrophobicContact CD2-CG 4.3Å; L26-L65 HydrophobicContact CG-CD2 4.46Å; L65-D67 VanDerWaalsContact C-N 3.3Å; L65-D67 PolarHBondContact O-N 3.26Å; L65-V68 PolarHBondContact O-N 3.3Å; L65-V69 HydrophobicContact CD1-CB 3.76Å; L65-V69 HydrophobicContact CD1-CG1 4.31Å; L65-V69 HydrophobicContact CD1-CG2 3.58Å; L65-V69 HydrophobicContact CG-CB 4.29Å; L65-V69 PolarHBondContact O-N 3.07Å |
| 66 | C | 91.4 | Very high | 90.7 | Very high | 54 Ų | 54 | 68.8 Ų | 68.8 | 37% | 0.365 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.3 | -16.8 | 173.7 | 45.4 | 0 | 0 | 0 | 0 | 115.6 | G19 M64 | G19-C66 VanDerWaalsContact C-SG 3.56Å; G19-C66 PolarHBondContact O-N 2.95Å; G19-C66 PolarHBondContact O-SG 3.36Å; M64-C66 PolarHBondContact O-N 3.32Å; M64-C66 VanDerWaalsContact O-N 3.11Å |
| 67 | D | 91.8 | Very high | 91.6 | Very high | 133 Ų | 133 | 66.8 Ų | 66.8 | 71% | 0.711 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -90.2 | -16.9 | 177.7 | -65.5 | -27.2 | 0 | 0 | 0 | 112.2 | M64 L65 | M64-D67 WeakPolarHBondContact O-CB 3.48Å; M64-D67 PolarHBondContact O-N 2.6Å; L65-D67 VanDerWaalsContact C-N 3.3Å; L65-D67 PolarHBondContact O-N 3.26Å |
| 68 | V | 91.1 | Very high | 91.8 | Very high | 46 Ų | 46 | 67.3 Ų | 67.3 | 28% | 0.279 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -131.4 | -7.5 | -168.5 | -65.6 | 0 | 0 | 0 | 0 | 115.9 | V23 H53 L59 D63 L65 | V23-V68 HydrophobicContact CG2-CG2 4.15Å; H53-V68 PolarHBondContact CE1-O 3.13Å; H53-V68 PolarHBondContact NE2-O 3.01Å; L59-V68 HydrophobicContact CD2-CB 3.76Å; L59-V68 HydrophobicContact CD2-CG2 3.69Å; D63-V68 HydrophobicContact CB-CG1 4.12Å; D63-V68 HydrophobicContact CB-CG2 3.98Å; L65-V68 PolarHBondContact O-N 3.3Å |
| 69 | V | 89.8 | Confident | 91.9 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | trans | -142.6 | 150.5 | -179.5 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | M1 V3 L59 L65 D73 L75 | M1-V69 VanDerWaalsContact CE-C 3.42Å; M1-V69 HydrophobicContact CE-CB 3.73Å; M1-V69 HydrophobicContact CE-CG1 3.79Å; M1-V69 WeakPolarHBondContact CE-O 3.35Å; V3-V69 HydrophobicContact CG1-CG1 4.17Å; V3-V69 HydrophobicContact CG2-CG1 3.8Å; L59-V69 HydrophobicContact CD1-CG2 3.52Å; L59-V69 HydrophobicContact CD2-CG2 3.92Å; L59-V69 HydrophobicContact CG-CG2 4.37Å; L65-V69 HydrophobicContact CD1-CB 3.76Å; L65-V69 HydrophobicContact CD1-CG1 4.31Å; L65-V69 HydrophobicContact CD1-CG2 3.58Å; L65-V69 HydrophobicContact CG-CB 4.29Å; L65-V69 PolarHBondContact O-N 3.07Å; V69-D73 HydrophobicContact CG1-CB 3.57Å; V69-L75 HydrophobicContact CG2-CD1 4.24Å; V69-L75 HydrophobicContact CG2-CD2 4.22Å | ||
| 70 | D | 89.8 | Confident | 91.9 | Very high | 107 Ų | 107 | 70 Ų | 70 | 57% | 0.572 | 36% | 0.357 | S | S | * | . | trans | -104.7 | 170.6 | -178 | -129.1 | -42 | 0 | 0 | 0 | 114.7 | K72 D73 | D70-K72 PolarHBondContact O-N 3.1Å; D70-D73 WeakPolarHBondContact CB-OD2 3.39Å; D70-D73 PolarHBondContact N-OD2 2.91Å; D70-D73 WeakPolarHBondContact O-CB 3.47Å; D70-D73 PolarHBondContact O-N 2.9Å | ||
| 71 | D | 88.9 | Confident | 91.6 | Very high | 62 Ų | 62 | 67.1 Ų | 67.1 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 116.3 | -179.4 | -175 | 71 | 0 | 0 | 0 | 112.8 | M1 K2 | M1-D71 WeakPolarHBondContact CA-OD1 3.48Å; M1-D71 PolarHBondContact N-OD1 3.2Å; K2-D71 PolarHBondContact N-OD1 2.97Å |
| 72 | K | 84.3 | Confident | 91 | Very high | 144 Ų | 144 | 68 Ų | 68 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | 9.2 | -175.6 | -49.3 | 162.9 | -149.1 | 70.4 | 0 | 115 | K2 D70 | K2-K72 WeakPolarHBondContact O-CA 3.43Å; K2-K72 PolarHBondContact O-N 2.92Å; D70-K72 PolarHBondContact O-N 3.1Å |
| 73 | D | 90.5 | Very high | 88.8 | Confident | 57 Ų | 57 | 70 Ų | 70 | 31% | 0.305 | 35% | 0.352 | S | S | . | . | trans | -57.6 | 160.3 | 179.3 | -93.5 | -5.5 | 0 | 0 | 0 | 115 | T4 V69 D70 | T4-D73 WeakPolarHBondContact CB-O 3.46Å; T4-D73 PolarHBondContact N-O 3.23Å; V69-D73 HydrophobicContact CG1-CB 3.57Å; D70-D73 WeakPolarHBondContact CB-OD2 3.39Å; D70-D73 PolarHBondContact N-OD2 2.91Å; D70-D73 WeakPolarHBondContact O-CB 3.47Å; D70-D73 PolarHBondContact O-N 2.9Å | ||
| 74 | R | 92.9 | Very high | 86.4 | Confident | 160 Ų | 160 | 72.2 Ų | 72.2 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 98.8 | -175.3 | -65.8 | -175.3 | -179.6 | 176.4 | 4.5 | 110.7 | T4 | T4-R74 CarbonylContact O-C 3.54Å; T4-R74 WeakPolarHBondContact O-CA 3.11Å |
| 75 | L | 94.9 | Very high | 84 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 151.3 | 173.2 | -55.1 | 178.9 | 0 | 0 | 0 | 110.3 | V3 T4 V5 C6 L26 L51 E52 H53 L59 V69 | V3-L75 HydrophobicContact CG1-CD1 3.63Å; V3-L75 HydrophobicContact CG1-CG 3.81Å; T4-L75 PolarHBondContact O-N 3.41Å; V5-L75 CarbonylContact C-O 3.58Å; V5-L75 WeakPolarHBondContact CA-O 3.5Å; C6-L75 WeakPolarHBondContact CB-O 3.17Å; C6-L75 PolarHBondContact N-O 3.15Å; C6-L75 PolarHBondContact SG-O 3.45Å; L26-L75 HydrophobicContact CD2-CD1 3.73Å; L51-L75 HydrophobicContact CB-CB 4.48Å; L51-L75 HydrophobicContact CB-CD1 4.18Å; L51-L75 HydrophobicContact CD1-CD1 3.72Å; E52-L75 CarbonylContact O-C 3.47Å; E52-L75 VanDerWaalsContact O-CA 3.27Å; E52-L75 WeakPolarHBondContact O-CA 3.2Å; H53-L75 WeakPolarHBondContact CD2-CD2 3.22Å; L59-L75 HydrophobicContact CD1-CD1 3.57Å; L59-L75 HydrophobicContact CD1-CD2 3.8Å; L59-L75 HydrophobicContact CD1-CG 4.33Å; V69-L75 HydrophobicContact CG2-CD1 4.24Å; V69-L75 HydrophobicContact CG2-CD2 4.22Å |
| 76 | V | 95.3 | Very high | 81.6 | Confident | 60 Ų | 60 | 86.1 Ų | 86.1 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.9 | 169 | -177 | 0 | 0 | 0 | 0 | 107.6 | L51 E52 | L51-V76 WeakPolarHBondContact CA-O 3.08Å; E52-V76 HydrophobicContact CB-CB 4.5Å; E52-V76 PolarHBondContact N-O 2.8Å; E52-V76 PolarHBondContact O-N 2.68Å |
| 77 | A | 95.3 | Very high | 78.8 | Confident | 7 Ų | 7 | 87 Ų | 87 | 6% | 0.058 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 129.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V5 C6 F7 V48 L51 Y79 | V5-A77 HydrophobicContact CG1-CB 3.78Å; C6-A77 PolarHBondContact O-N 2.84Å; F7-A77 HydrophobicContact CD1-CB 3.95Å; F7-A77 HydrophobicContact CD2-CB 4.3Å; F7-A77 HydrophobicContact CE1-CB 3.91Å; F7-A77 HydrophobicContact CE2-CB 4.26Å; F7-A77 HydrophobicContact CG-CB 4.14Å; F7-A77 HydrophobicContact CZ-CB 4.06Å; V48-A77 HydrophobicContact CG1-CB 4.29Å; L51-A77 HydrophobicContact CD2-CB 3.92Å; A77-Y79 HydrophobicContact CB-CD1 4.09Å; A77-Y79 WeakPolarHBondContact O-CD1 3.26Å |
| 78 | V | 92.8 | Very high | 75.9 | Confident | 40 Ų | 40 | 83.7 Ų | 83.7 | 24% | 0.242 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 110.3 | 163 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | H49 R50 E52 | H49-V78 PolarHBondContact N-O 2.82Å; R50-V78 HydrophobicContact CG-CB 3.97Å; R50-V78 HydrophobicContact CG-CG2 4.27Å; R50-V78 PolarHBondContact O-N 3.07Å; E52-V78 VanDerWaalsContact CD-CG2 3.46Å; E52-V78 HydrophobicContact CG-CG2 4.06Å; E52-V78 WeakPolarHBondContact OE2-CG2 3.45Å |
| 79 | Y | 93.6 | Very high | 73.4 | Confident | 60 Ų | 60 | 89.9 Ų | 89.9 | 24% | 0.235 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 150.9 | -168.4 | 73.4 | -80.5 | 0 | 0 | 0 | 112.2 | F7 Y34 V46 Q47 A77 E81 | F7-Y79 HydrophobicContact CB-CD1 4.38Å; F7-Y79 HydrophobicContact CB-CE1 3.72Å; F7-Y79 AromaticContact CD1-CD1 3.7Å; F7-Y79 HydrophobicContact CD1-CD1 3.7Å; F7-Y79 HydrophobicContact CD1-CD2 4.1Å; F7-Y79 AromaticContact CD1-CE1 3.85Å; F7-Y79 HydrophobicContact CD1-CE1 3.85Å; F7-Y79 HydrophobicContact CD1-CE2 4.21Å; F7-Y79 AromaticContact CD1-CG 3.84Å; F7-Y79 HydrophobicContact CD1-CG 3.84Å; F7-Y79 HydrophobicContact CE1-CD1 4.47Å; F7-Y79 HydrophobicContact CE1-CG 4.33Å; F7-Y79 HydrophobicContact CG-CD1 4.39Å; F7-Y79 HydrophobicContact CG-CE1 4.21Å; Y34-Y79 AromaticContact CE1-CE2 3.92Å; Y34-Y79 HydrophobicContact CE1-CE2 3.92Å; Y34-Y79 PolarHBondContact OH-OH 2.85Å; Y34-Y79 VanDerWaalsContact OH-OH 3.08Å; V46-Y79 HydrophobicContact CG1-CD2 3.91Å; Q47-Y79 CarbonylContact O-C 3.48Å; Q47-Y79 WeakPolarHBondContact O-CA 3.31Å; Q47-Y79 WeakPolarHBondContact O-CB 3.02Å; A77-Y79 HydrophobicContact CB-CD1 4.09Å; A77-Y79 WeakPolarHBondContact O-CD1 3.26Å; Y79-E81 HydrophobicContact CD2-CB 4.08Å; Y79-E81 HydrophobicContact CE2-CB 3.86Å; Y79-E81 WeakPolarHBondContact CE2-OE2 3.16Å |
| 80 | E | 91.4 | Very high | 70.7 | Confident | 104 Ų | 104 | 92.6 Ų | 92.6 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 141.2 | 166.9 | -163.2 | 177.2 | -177.7 | 0 | 0 | 108.3 | W45 V46 Q47 H49 | W45-E80 HydrophobicContact CH2-CB 4.09Å; W45-E80 HydrophobicContact CH2-CG 3.97Å; W45-E80 HydrophobicContact CZ3-CB 4.1Å; W45-E80 HydrophobicContact CZ3-CG 3.83Å; V46-E80 WeakPolarHBondContact CA-O 3.24Å; Q47-E80 PolarHBondContact N-O 2.96Å; Q47-E80 PolarHBondContact O-N 2.87Å; H49-E80 IonicContact CE1-OE2 3.74Å; H49-E80 WeakPolarHBondContact NE2-CB 3.46Å; H49-E80 PolarHBondContact NE2-N 3.45Å; H49-E80 IonicContact NE2-OE2 2.91Å |
| 81 | E | 88 | Confident | 68.1 | Low | 50 Ų | 50 | 94.1 Ų | 94.1 | 23% | 0.234 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.3 | -178.1 | 170.2 | 168.1 | -171.1 | 0 | 0 | 107.5 | Y34 K40 Y44 V46 Y79 D83 | Y34-E81 PolarHBondContact OH-OE2 3.24Å; K40-E81 IonicContact NZ-OE1 2.68Å; K40-E81 PolarHBondContact NZ-OE1 3.04Å; Y44-E81 HydrophobicContact CE1-CG 3.66Å; Y44-E81 VanDerWaalsContact CE1-OE1 3.31Å; Y44-E81 WeakPolarHBondContact CE1-OE1 3.31Å; Y44-E81 WeakPolarHBondContact OH-CG 3.43Å; Y44-E81 PolarHBondContact OH-OE1 3Å; V46-E81 HydrophobicContact CG2-CG 4.29Å; Y79-E81 HydrophobicContact CD2-CB 4.08Å; Y79-E81 HydrophobicContact CE2-CB 3.86Å; Y79-E81 WeakPolarHBondContact CE2-OE2 3.16Å; E81-D83 PolarHBondContact O-N 3.18Å |
| 82 | Q | 76 | Confident | 65.6 | Low | 96 Ų | 96 | 97.2 Ų | 97.2 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | trans | -67.8 | 109 | -167 | -154.6 | 173.8 | 20.9 | 0 | 0 | 111.9 | Y44 W45 | Y44-Q82 HydrophobicContact CE2-CB 3.93Å; Y44-Q82 PolarHBondContact OH-N 3.44Å; Y44-Q82 PolarHBondContact OH-O 2.85Å; W45-Q82 HydrophobicContact CB-CB 4.12Å; W45-Q82 HydrophobicContact CB-CG 4.38Å; W45-Q82 HydrophobicContact CE3-CB 3.95Å; W45-Q82 HydrophobicContact CE3-CG 4.32Å; W45-Q82 PolarHBondContact O-N 2.76Å; W45-Q82 VanDerWaalsContact O-N 3.15Å | ||
| 83 | D | 47.8 | Very low | 63 | Low | 147 Ų | 147 | 94.7 Ų | 94.7 | 79% | 0.786 | 56% | 0.562 | S | S | * | * | trans | -68.3 | 128.8 | 165.4 | -110.6 | -28.8 | 0 | 0 | 0 | 109 | E81 H85 | E81-D83 PolarHBondContact O-N 3.18Å; D83-H85 PolarHBondContact O-N 2.72Å; D83-H85 VanDerWaalsContact O-N 3.16Å | ||
| 84 | P | 43.8 | Very low | 60.1 | Low | 109 Ų | 109 | 97.6 Ų | 97.6 | 71% | 0.708 | 59% | 0.587 | S | S | * | * | trans | -74.4 | 108.2 | 179.4 | 29.3 | -32.5 | 0 | 0 | 0 | 110 | N86 | P84-N86 PolarHBondContact O-N 2.81Š| ||
| 85 | H | 43.5 | Very low | 57.1 | Low | 191 Ų | 191 | 94.6 Ų | 94.6 | 88% | 0.884 | 59% | 0.591 | S | S | * | * | trans | -56 | 127.9 | 161.9 | -84.9 | -56.6 | 0 | 0 | 0 | 109.5 | D83 G87 | D83-H85 PolarHBondContact O-N 2.72Å; D83-H85 VanDerWaalsContact O-N 3.16Å; H85-G87 PolarHBondContact O-N 2.94Å | ||
| 86 | N | 41 | Very low | 54.1 | Low | 169 Ų | 169 | 101.1 Ų | 101.1 | 90% | 0.904 | 63% | 0.631 | S | S | * | * | trans | -76.7 | 69.3 | -176.7 | -152.3 | 43.6 | 0 | 0 | 0 | 111.3 | P84 | P84-N86 PolarHBondContact O-N 2.81Š| ||
| 87 | G | 33.3 | Very low | 51 | Low | 72 Ų | 72 | 102.2 Ų | 102.2 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | trans | -85.4 | 116.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | H85 | H85-G87 PolarHBondContact O-N 2.94Š| ||
| 88 | G | 31.1 | Very low | 48 | Very low | 64 Ų | 64 | 107.6 Ų | 107.6 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | cis | 95.4 | 95.1 | 20.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | G90 | G88-G90 PolarHBondContact O-N 2.82Š| ||
| 89 | D | 37.9 | Very low | 44.9 | Very low | 176 Ų | 176 | 114.2 Ų | 114.2 | 94% | 0.941 | 72% | 0.715 | S | S | * | * | trans | -61.9 | 119.7 | -168.2 | -64.5 | -61.7 | 0 | 0 | 0 | 112.2 | ||||
| 90 | G | 32.2 | Very low | 41.6 | Very low | 70 Ų | 70 | 116.8 Ų | 116.8 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -130.1 | 50.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G88 S92 | G88-G90 PolarHBondContact O-N 2.82Å; G90-S92 PolarHBondContact O-N 2.92Å; G90-S92 VanDerWaalsContact O-N 3.09Å | ||
| 91 | T | 36.7 | Very low | 39.6 | Very low | 139 Ų | 139 | 117.1 Ų | 117.1 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -72.4 | 98.6 | 176.5 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 92 | S | 34.7 | Very low | 36.6 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -164.5 | 153.3 | 155.7 | -86.9 | 0 | 0 | 0 | 0 | 111.6 | G90 | G90-S92 PolarHBondContact O-N 2.92Å; G90-S92 VanDerWaalsContact O-N 3.09Å | ||
| 93 | A | 30.7 | Very low | 35 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -128.1 | 157.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 94 | S | 29.1 | Very low | 34 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 77.4 | 153.9 | 179.8 | -28.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 95 | S | 30.6 | Very low | 33.1 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | cis | -154.9 | 167.3 | 7.5 | -146.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 96 | T | 31.6 | Very low | 32.3 | Very low | 136 Ų | 136 | 122 Ų | 122 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 53.9 | 117.3 | 157.6 | 50.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 97 | G | 29.2 | Very low | 31.8 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | 178.3 | 73.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 98 | T | 33.8 | Very low | 31.5 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | -79.2 | 138.6 | 178.4 | 47.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 99 | H | 26.7 | Very low | 31.7 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | 167.2 | 145.2 | 124.2 | -85.3 | -60.7 | 0 | 0 | 0 | 112.5 | |||||
| 100 | S | 24 | Very low | 31.3 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -153.4 | 165.1 | 175.1 | -45.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 101 | P | 49.9 | Very low | 31.4 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | cis | -131.9 | -165 | -16.6 | 28.9 | -4.7 | 0 | 0 | 0 | 113.4 | ||||
| 102 | E | 26.3 | Very low | 30.9 | Very low | 177 Ų | 177 | 129.5 Ų | 129.5 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | 74.3 | 166.4 | 160.1 | -58.7 | -154.5 | 126.6 | 0 | 0 | 119.3 | ||||
| 103 | P | 40.8 | Very low | 30.7 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | -139.8 | 156.5 | -61.7 | 41.4 | -25.9 | 0 | 0 | 0 | 116.6 | |||||
| 104 | F | 26.9 | Very low | 30.5 | Very low | 208 Ų | 208 | 133.1 Ų | 133.1 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | trans | 56.7 | 136.9 | 159.2 | -75.9 | -69.8 | 0 | 0 | 0 | 123.3 | ||||
| 105 | A | 25.7 | Very low | 30.8 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 68.5 | 143.7 | 155 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 106 | S | 26.7 | Very low | 31 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | cis | -158.9 | 173.2 | -8.6 | -102.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 107 | E | 30.5 | Very low | 31 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | -47.1 | 147.7 | -173 | -56.1 | 165 | 141.2 | 0 | 0 | 118.9 | ||||
| 108 | M | 27.7 | Very low | 31.2 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -156 | 147.5 | 135.5 | -161.7 | 58.8 | 65.2 | 0 | 0 | 110.3 | ||||
| 109 | N | 33.3 | Very low | 31.1 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -122.2 | 150.3 | -176 | -167 | 9.5 | 0 | 0 | 0 | 111.8 | ||||
| 110 | S | 30.7 | Very low | 31.5 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -161.8 | 137.8 | 171.1 | -80.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 111 | A | 33.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -113 | 157.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 112 | S | 27.1 | Very low | 31.2 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -151.5 | 146.7 | 159.5 | -171 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 113 | A | 30.8 | Very low | 32 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -145.2 | 130.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 114 | F | 26.9 | Very low | 31.8 | Very low | 205 Ų | 205 | 144.6 Ų | 144.6 | 90% | 0.899 | 82% | 0.819 | S | S | * | * | trans | -151 | 140.5 | 166.4 | -89.8 | -77.1 | 0 | 0 | 0 | 110.2 | ||||
| 115 | Q | 33.9 | Very low | 32.1 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | -97.2 | 164.3 | 168.8 | -57.8 | -179 | -42.7 | 0 | 0 | 109.7 | ||||
| 116 | P | 34.5 | Very low | 32.9 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | -138.5 | 169.7 | 84.2 | 34.6 | -18.4 | 0 | 0 | 0 | 115.1 | |||||
| 117 | Y | 32.3 | Very low | 33.7 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -103.8 | 153.8 | -178.7 | -103.8 | -92.9 | 0 | 0 | 0 | 113 | ||||
| 118 | Q | 33.1 | Very low | 34.3 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 148 | 145.1 | 138.6 | -85.4 | -179 | 22 | 0 | 0 | 111.5 | ||||
| 119 | A | 31.2 | Very low | 35 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -152.2 | 179 | -7.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 120 | A | 34.9 | Very low | 35.6 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | 66.3 | 64.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 121 | S | 32.1 | Very low | 36.4 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -142.9 | 128.2 | 147.3 | -163.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 122 | E | 37.2 | Very low | 36.5 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | -97 | 129.7 | -170.4 | -167.4 | 159.8 | -146.6 | 0 | 0 | 109.9 | ||||
| 123 | I | 41.6 | Very low | 36.9 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | -105.6 | 104.7 | -169.1 | -58.3 | 176.5 | 0 | 0 | 0 | 109.8 | V125 | I123-V125 HydrophobicContact CG2-CG2 4.2Å; I123-V125 PolarHBondContact O-N 3.18Å; I123-V125 VanDerWaalsContact O-N 3.17Å | ||
| 124 | E | 37.5 | Very low | 37 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -72.3 | 102.4 | 170.6 | -66.9 | -166.1 | 148 | 0 | 0 | 111 | T126 | E124-T126 PolarHBondContact O-N 3.03Å; E124-T126 VanDerWaalsContact O-N 3.11Å | ||
| 125 | V | 33.2 | Very low | 37.4 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -81 | 90.9 | 177.3 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | I123 | I123-V125 HydrophobicContact CG2-CG2 4.2Å; I123-V125 PolarHBondContact O-N 3.18Å; I123-V125 VanDerWaalsContact O-N 3.17Å | ||
| 126 | T | 42.6 | Very low | 37.5 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 50% | 0.497 | 76% | 0.757 | S | S | . | * | trans | -76 | 146 | 170.7 | 43.7 | 0 | 0 | 0 | 0 | 111.9 | E124 S128 A129 | E124-T126 PolarHBondContact O-N 3.03Å; E124-T126 VanDerWaalsContact O-N 3.11Å; T126-S128 PolarHBondContact O-N 3.2Å; T126-S128 VanDerWaalsContact O-N 3.07Å; T126-S128 PolarHBondContact OG1-OG 2.91Å; T126-A129 WeakPolarHBondContact O-CB 3.33Å; T126-A129 PolarHBondContact O-N 3.05Å | ||
| 127 | T | 43.5 | Very low | 37.7 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -11.8 | -173.3 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 128 | S | 42.4 | Very low | 37.9 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -35.2 | 170.6 | 34.5 | 0 | 0 | 0 | 0 | 112.9 | T126 L130 R131 | T126-S128 PolarHBondContact O-N 3.2Å; T126-S128 VanDerWaalsContact O-N 3.07Å; T126-S128 PolarHBondContact OG1-OG 2.91Å; S128-L130 PolarHBondContact O-N 3.02Å; S128-L130 VanDerWaalsContact O-N 3.16Å; S128-R131 PolarHBondContact O-N 3.32Å |
| 129 | A | 43.7 | Very low | 37.8 | Very low | 72 Ų | 72 | 134.5 Ų | 134.5 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -19.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | T126 | T126-A129 WeakPolarHBondContact O-CB 3.33Å; T126-A129 PolarHBondContact O-N 3.05Å |
| 130 | L | 46.1 | Very low | 37.9 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 10.4 | -177.3 | -64.6 | 176 | 0 | 0 | 0 | 114.3 | S128 | S128-L130 PolarHBondContact O-N 3.02Å; S128-L130 VanDerWaalsContact O-N 3.16Å |
| 131 | R | 47.3 | Very low | 37.7 | Very low | 221 Ų | 221 | 140.7 Ų | 140.7 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -123.6 | 7.7 | -175.7 | -65.4 | -167.4 | -178.8 | -161.7 | 0.7 | 115.8 | S128 | S128-R131 PolarHBondContact O-N 3.32Š|
| 132 | S | 35.3 | Very low | 37.5 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -109.6 | 123.6 | 178 | -150 | 0 | 0 | 0 | 0 | 113 | ||
| 133 | S | 35.7 | Very low | 37.5 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 35.4 | 89.7 | 156.8 | 49.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 134 | M | 32.1 | Very low | 37.3 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 93% | 0.931 | 77% | 0.765 | S | S | * | * | trans | -120.9 | 104.6 | 138.4 | -77.6 | -163.2 | 176.5 | 0 | 0 | 110.1 | ||||
| 135 | S | 35.6 | Very low | 36.8 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | trans | -105.3 | 111.2 | 178.4 | 41 | 0 | 0 | 0 | 0 | 111.4 | N137 | S135-N137 PolarHBondContact O-N 3.49Š| ||
| 136 | L | 35.5 | Very low | 36.5 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | trans | -91.7 | 85.4 | 178.3 | -67.8 | 178 | 0 | 0 | 0 | 111.4 | V138 | L136-V138 PolarHBondContact O-N 3.06Š| ||
| 137 | N | 39.5 | Very low | 35.9 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -81.6 | 113.7 | 176.1 | -73.3 | 3.4 | 0 | 0 | 0 | 111.4 | S135 | S135-N137 PolarHBondContact O-N 3.49Š| ||
| 138 | V | 35.4 | Very low | 35 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -92.9 | 126 | 174.7 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L136 | L136-V138 PolarHBondContact O-N 3.06Š| ||
| 139 | R | 31.5 | Very low | 34.2 | Very low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -108.8 | 155 | 165.3 | -80.7 | -176.5 | 163.8 | -176.2 | -4.9 | 110.8 | ||||
| 140 | R | 33.4 | Very low | 34.1 | Very low | 249 Ų | 249 | 144.1 Ų | 144.1 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | -116.4 | 147.4 | 179.7 | -89.4 | -175.8 | 165.7 | -168.9 | -3 | 111.3 | ||||
| 141 | G | 31.2 | Very low | 33.9 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 106.3 | 139.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 142 | S | 27.7 | Very low | 32.9 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | cis | -162.2 | 139.7 | -1.2 | 52 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 143 | D | 36.4 | Very low | 32.5 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | 30.7 | 148.5 | 151.4 | -63.2 | 6 | 0 | 0 | 0 | 122.6 | ||||
| 144 | P | 37.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | -140.1 | 134.4 | 100.5 | 36.7 | -24.4 | 0 | 0 | 0 | 117.8 | |||||
| 145 | S | 26.9 | Very low | 32 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | 94.5 | 132 | 131.2 | 76.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 146 | L | 27.2 | Very low | 31.8 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | 92 | 131 | 137.2 | -83.1 | 161.7 | 0 | 0 | 0 | 123.7 | ||||
| 147 | A | 28.9 | Very low | 31.3 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | trans | 86.9 | 100.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 148 | D | 25.5 | Very low | 30.7 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | 63.5 | 102.8 | 125.7 | -54.2 | -16 | 0 | 0 | 0 | 123.8 | |||||
| 149 | L | 26.2 | Very low | 30.3 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | 7.8 | 162.6 | 121.8 | -55 | 172.3 | 0 | 0 | 0 | 120.2 | |||||
| 150 | P | 41.7 | Very low | 30.1 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | -132.8 | -135.9 | -51.4 | 42.4 | -23.5 | 0 | 0 | 0 | 107.9 | |||||
| 151 | P | 42.1 | Very low | 31 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | cis | -119.3 | -179.5 | -44 | 40 | -26.2 | 0 | 0 | 0 | 113 | ||||
| 152 | G | 25.4 | Very low | 31 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 115 | 117.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 153 | E | 27.9 | Very low | 31.5 | Very low | 191 Ų | 191 | 134 Ų | 134 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | 39.3 | 107 | 138.2 | -54.7 | -168.7 | 149.8 | 0 | 0 | 123.5 | ||||
| 154 | A | 27.4 | Very low | 31.4 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | 66.9 | 138.5 | 115.7 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 155 | L | 27.9 | Very low | 30.7 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 100.5 | 92.1 | 132.9 | -151.1 | 77.9 | 0 | 0 | 0 | 123.2 | ||||
| 156 | V | 31.3 | Very low | 32.6 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | 61.8 | 153.7 | 130 | -174.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 157 | S | 25.4 | Very low | 32.8 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 101.7 | 118.9 | 167.1 | -39.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 158 | Q | 28.3 | Very low | 32.9 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | 69.1 | 138.8 | 71.7 | -73 | -165.2 | -94.8 | 0 | 0 | 113.8 | |||||
| 159 | D | 26.1 | Very low | 33 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | cis | -153.6 | -176.1 | 17.4 | -122.9 | -11.2 | 0 | 0 | 0 | 115.7 | ||||
| 160 | E | 27.1 | Very low | 33.3 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -66.2 | -175.1 | 175.8 | -103.9 | -155.6 | 109.3 | 0 | 0 | 116 | ||||
| 161 | P | 52.6 | Low | 32.9 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | cis | -141.1 | -178.9 | -44.2 | 39.4 | -21.9 | 0 | 0 | 0 | 115.2 | ||||
| 162 | S | 31.6 | Very low | 32.4 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | 161.6 | 101.4 | 128.3 | -180 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 163 | R | 37.5 | Very low | 32.7 | Very low | 219 Ų | 219 | 141.5 Ų | 141.5 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | 36.6 | 122 | 132.4 | -75.6 | 180 | 170.9 | -174 | -2 | 123.9 | ||||
| 164 | K | 33.6 | Very low | 32.8 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | trans | 92 | 105.8 | 130.9 | -69.5 | 176 | 176.6 | -172 | 0 | 122.9 | ||||
| 165 | N | 23.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 48 | 159.9 | 105.8 | -100.7 | 25.6 | 0 | 0 | 0 | 122.6 | |||||
| 166 | P | 66.8 | Low | 33.2 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | cis | -144.8 | 164.5 | -44 | 38.2 | -19.9 | 0 | 0 | 0 | 115.2 | ||||
| 167 | T | 32.7 | Very low | 33 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | -173.8 | 154.8 | 159.8 | 17 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 168 | R | 30.5 | Very low | 33.1 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | cis | -170.3 | 173.2 | -8.3 | -160.6 | 169.5 | 162.6 | -172.8 | -4.2 | 110.5 | ||||
| 169 | W | 27.5 | Very low | 32.9 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | 92 | 125.5 | 144.7 | -82.3 | -61.1 | 0 | 0 | 0 | 122.5 | ||||
| 170 | S | 31.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -114.2 | 169.4 | 139.3 | -46.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 171 | T | 33.6 | Very low | 33.7 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | -142.5 | 162.9 | -179.8 | 35 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 172 | T | 32.2 | Very low | 33.9 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | cis | -167.7 | 165.3 | 2.9 | 168.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 173 | A | 32.8 | Very low | 33.9 | Very low | 89 Ų | 89 | 144.5 Ų | 144.5 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | cis | -173.1 | 172.7 | -33.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 174 | G | 29.7 | Very low | 34.9 | Very low | 61 Ų | 61 | 139.4 Ų | 139.4 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | cis | 161.2 | -179.2 | 1.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 175 | F | 33.3 | Very low | 34.9 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | 70.5 | 153.6 | 170.2 | -64.9 | -68.8 | 0 | 0 | 0 | 117.6 | ||||
| 176 | Q | 29.6 | Very low | 35.3 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | cis | -158.8 | 156.7 | 13 | -138.2 | 172.9 | 54.1 | 0 | 0 | 114.8 | ||||
| 177 | M | 26.5 | Very low | 33.5 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | trans | 68.9 | 151.8 | 158 | -56.9 | -40 | -172.3 | 0 | 0 | 121 | ||||
| 178 | Y | 27.8 | Very low | 33.3 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | cis | -159.4 | 147.5 | -10.1 | -123.4 | -52 | 0 | 0 | 0 | 114.2 | ||||
| 179 | N | 24.2 | Very low | 33.4 | Very low | 124 Ų | 124 | 134 Ų | 134 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | trans | 70.5 | 99.3 | 145.7 | -91.7 | -18 | 0 | 0 | 0 | 127.8 | ||||
| 180 | N | 31.7 | Very low | 33.7 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | 62.2 | 127.1 | 110.9 | -82.8 | -58.8 | 0 | 0 | 0 | 128.7 | |||||
| 181 | K | 39.4 | Very low | 34 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | trans | 80.7 | 160.5 | 136.3 | -83.7 | -178.8 | -179.1 | 179.1 | 0 | 122.3 | ||||
| 182 | P | 55.7 | Low | 34 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | -143.7 | 152.3 | -9.4 | 36 | -14.6 | 0 | 0 | 0 | 121 | ||||
| 183 | N | 32.3 | Very low | 34.2 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 59.2 | 171 | 146.9 | -120.2 | 13.2 | 0 | 0 | 0 | 122.1 | ||||
| 184 | P | 58.1 | Low | 34.2 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | -135.4 | -166.4 | -4.3 | 44.1 | -24.2 | 0 | 0 | 0 | 118.5 | ||||
| 185 | R | 33.3 | Very low | 34.2 | Very low | 245 Ų | 245 | 138.7 Ų | 138.7 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -56.6 | 171.6 | -175.2 | -52.3 | 167.5 | -179.9 | 175.6 | -2.2 | 118 | ||||
| 186 | G | 31.2 | Very low | 34.2 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | cis | 153.8 | 169.3 | -5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 187 | A | 29.6 | Very low | 34 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | trans | 76.7 | 164.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 188 | S | 29.4 | Very low | 34.1 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | cis | 171.4 | 159.2 | -25.5 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 189 | S | 32.4 | Very low | 34.1 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | cis | -172 | -165.6 | -38.7 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 190 | T | 33.2 | Very low | 34.3 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 69.4 | 152.6 | 165.6 | 38.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 191 | L | 37.5 | Very low | 34 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | cis | -168.1 | 171.5 | -13.5 | -164.4 | 69.8 | 0 | 0 | 0 | 111.9 | ||||
| 192 | E | 34.2 | Very low | 33.7 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | 81.7 | 149.1 | 157.3 | -57.5 | -139 | 117.9 | 0 | 0 | 120.9 | ||||
| 193 | Q | 35.5 | Very low | 33 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | cis | -151.2 | -167.6 | -6.6 | -127.6 | -170.5 | 43 | 0 | 0 | 115.5 | ||||
| 194 | Q | 32.8 | Very low | 33.5 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -70.3 | 172.1 | -167.4 | -62.9 | 167.6 | -0 | 0 | 0 | 117.1 | ||||
| 195 | G | 31.5 | Very low | 32.9 | Very low | 70 Ų | 70 | 140 Ų | 140 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | 154.3 | 167.4 | -11.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 196 | R | 32.2 | Very low | 33.2 | Very low | 257 Ų | 257 | 138.5 Ų | 138.5 | 97% | 0.97 | 78% | 0.776 | S | S | * | * | trans | 60.5 | 129.6 | 167.1 | -57.8 | -168.5 | -171.3 | -81 | 2.3 | 121 | ||||
| 197 | G | 26.1 | Very low | 33.3 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -169.5 | 119.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 198 | S | 27.6 | Very low | 33.5 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -81.5 | 171.5 | 172.9 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 199 | Q | 28.4 | Very low | 33.6 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | cis | -174.6 | 176.9 | -6.5 | -111.5 | -83.3 | 0.2 | 0 | 0 | 107.3 | ||||
| 200 | A | 28.3 | Very low | 33.4 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | 66.5 | 158.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 201 | Y | 25.8 | Very low | 33.2 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | cis | -171.1 | 149.9 | -35.7 | -140.4 | -113.3 | 0 | 0 | 0 | 109.4 | ||||
| 202 | R | 33.4 | Very low | 32.8 | Very low | 229 Ų | 229 | 142.2 Ų | 142.2 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 64.9 | 155.2 | 167.7 | -82.4 | 176.8 | 178.5 | -159.4 | -0.2 | 118.1 | ||||
| 203 | S | 39.6 | Very low | 32.7 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | cis | -164 | 129 | -8.1 | 42.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 204 | L | 42.9 | Very low | 33.2 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | trans | 62.7 | 160.6 | 141.1 | -61.3 | 178.8 | 0 | 0 | 0 | 120.7 | ||||
| 205 | P | 46.5 | Very low | 32.9 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | cis | -132.9 | 159.3 | -14.5 | 33.6 | -14.5 | 0 | 0 | 0 | 117.5 | ||||
| 206 | R | 39.2 | Very low | 33.1 | Very low | 213 Ų | 213 | 147.3 Ų | 147.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 68.9 | 121.8 | 143.3 | -77.6 | -168.8 | 132 | 126.6 | 8.1 | 124.8 | ||||
| 207 | D | 33.3 | Very low | 33.1 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 52% | 0.524 | 78% | 0.778 | S | S | . | * | 66.9 | 118.3 | 124 | -49.4 | -9.3 | 0 | 0 | 0 | 120.6 | R901 | D207-R901 PolarHBondContact O-NH1 3.05Å; D207-R901 PolarHBondContact O-NH2 3.44Å; D207-R901 VanDerWaalsContact O-NH2 3.1Å | |||
| 208 | A | 33.8 | Very low | 33.2 | Very low | 75 Ų | 75 | 147.1 Ų | 147.1 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | cis | -167.3 | 173.6 | 8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 209 | S | 32.7 | Very low | 33.6 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | 57 | 117.4 | 157 | 57.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 210 | G | 27.5 | Very low | 33.7 | Very low | 77 Ų | 77 | 149 Ų | 149 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 163.1 | 49.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 211 | W | 28.3 | Very low | 34.3 | Very low | 240 Ų | 240 | 154.8 Ų | 154.8 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -122.5 | 151.1 | 173.7 | -90.9 | 37.6 | 0 | 0 | 0 | 107.4 | ||||
| 212 | T | 30.2 | Very low | 34.5 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | cis | -169 | 171.4 | 9.7 | 11.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 213 | A | 32 | Very low | 34.9 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | cis | -154.5 | 158.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 214 | Q | 45.8 | Very low | 35.1 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | -90.9 | 136.9 | 177.8 | 173.2 | -170.6 | 16.4 | 0 | 0 | 111.8 | ||||
| 215 | F | 26 | Very low | 35.2 | Very low | 204 Ų | 204 | 138.9 Ų | 138.9 | 90% | 0.895 | 73% | 0.732 | S | S | * | * | trans | -157.8 | 159.2 | 157.3 | -98.9 | -64.1 | 0 | 0 | 0 | 112.9 | ||||
| 216 | H | 36.5 | Very low | 35.4 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | trans | -68.1 | 145 | 179.9 | -63.3 | 6.5 | 0 | 0 | 0 | 113.2 | ||||
| 217 | R | 31.6 | Very low | 35.8 | Very low | 214 Ų | 214 | 132.6 Ų | 132.6 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | -173.7 | 132.3 | 119.6 | -101.6 | -171.7 | 67.8 | -160.6 | -10.8 | 113.6 | |||||
| 218 | D | 27.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | trans | 32.2 | 94.1 | 136.7 | -34.2 | -34.1 | 0 | 0 | 0 | 119.8 | L220 | D218-L220 PolarHBondContact O-N 3.33Š| ||
| 219 | M | 35.7 | Very low | 37.7 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 82% | 0.823 | 70% | 0.703 | S | S | * | * | 25.8 | 94.6 | 119.4 | -171.9 | 170.9 | 68.5 | 0 | 0 | 118.7 | |||||
| 220 | L | 31.8 | Very low | 38.7 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | trans | -147.6 | 128.2 | 136.6 | -69.3 | 179.8 | 0 | 0 | 0 | 106.4 | D218 | D218-L220 PolarHBondContact O-N 3.33Š| ||
| 221 | R | 40.8 | Very low | 40.7 | Very low | 204 Ų | 204 | 128.8 Ų | 128.8 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | cis | 49.5 | 68 | 0.2 | -94.7 | -167.2 | -179.2 | -98.5 | 5.9 | 115.8 | S223 | R221-S223 WeakPolarHBondContact O-CB 3.42Å; R221-S223 PolarHBondContact O-OG 2.88Å | ||
| 222 | S | 29.7 | Very low | 42.2 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 74% | 0.741 | 63% | 0.631 | S | S | * | * | -87.2 | 117 | 127 | -59.3 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 223 | S | 42.3 | Very low | 43.8 | Very low | 65 Ų | 65 | 121.2 Ų | 121.2 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | cis | 52.7 | 104.3 | 17.8 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | R221 S225 | R221-S223 WeakPolarHBondContact O-CB 3.42Å; R221-S223 PolarHBondContact O-OG 2.88Å; S223-S225 PolarHBondContact O-N 2.89Å | ||
| 224 | L | 42.4 | Very low | 45.6 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | trans | -54.7 | 126.9 | 156.3 | -59.9 | 170.4 | 0 | 0 | 0 | 106.2 | V231 | L224-V231 HydrophobicContact CB-CG2 3.27Å; L224-V231 HydrophobicContact CD1-CG2 3.99Å; L224-V231 HydrophobicContact CG-CG2 4.26Å | ||
| 225 | S | 45.3 | Very low | 47 | Very low | 66 Ų | 66 | 119.3 Ų | 119.3 | 46% | 0.462 | 60% | 0.597 | S | S | . | * | trans | -63.6 | 149.8 | -177.8 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | S223 N227 H228 V231 | S223-S225 PolarHBondContact O-N 2.89Å; S225-N227 PolarHBondContact O-N 2.83Å; S225-H228 WeakPolarHBondContact O-CB 3.27Å; S225-H228 PolarHBondContact O-N 2.86Å; S225-H228 PolarHBondContact OG-N 2.8Å; S225-V231 VanDerWaalsContact O-CB 3.29Å; S225-V231 WeakPolarHBondContact O-CB 3.16Å; S225-V231 WeakPolarHBondContact O-CG2 3.42Å | ||
| 226 | A | 52 | Low | 49 | Very low | 55 Ų | 55 | 114.6 Ų | 114.6 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.6 | -50.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | H228 V231 D232 L235 | A226-H228 PolarHBondContact O-N 2.88Å; A226-V231 WeakPolarHBondContact O-CB 3.44Å; A226-V231 WeakPolarHBondContact O-CG1 3.38Å; A226-D232 PolarHBondContact O-N 2.81Å; A226-L235 HydrophobicContact CB-CD1 4.34Å |
| 227 | N | 45.9 | Very low | 50.8 | Low | 136 Ų | 136 | 112.6 Ų | 112.6 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 30 | 176.2 | -46 | 66.8 | 0 | 0 | 0 | 114.7 | S225 D232 | S225-N227 PolarHBondContact O-N 2.83Å; N227-D232 WeakPolarHBondContact CA-OD1 3.17Å; N227-D232 VanDerWaalsContact CA-OD2 3.31Å; N227-D232 WeakPolarHBondContact CA-OD2 3.28Å |
| 228 | H | 52.2 | Low | 52.6 | Low | 62 Ų | 62 | 106.5 Ų | 106.5 | 29% | 0.287 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -95 | 134.4 | 169 | -178.9 | -97.1 | 0 | 0 | 0 | 107.1 | S225 A226 M230 V231 D232 | S225-H228 WeakPolarHBondContact O-CB 3.27Å; S225-H228 PolarHBondContact O-N 2.86Å; S225-H228 PolarHBondContact OG-N 2.8Å; A226-H228 PolarHBondContact O-N 2.88Å; H228-M230 PolarHBondContact ND1-N 2.81Å; H228-M230 PolarHBondContact O-N 2.78Å; H228-V231 HydrophobicContact CB-CB 4.23Å; H228-V231 HydrophobicContact CB-CG2 4.09Å; H228-V231 CarbonylContact O-C 3.52Å; H228-V231 WeakPolarHBondContact O-CA 3.29Å; H228-V231 PolarHBondContact O-N 3.36Å; H228-D232 PolarHBondContact N-OD2 3.28Å; H228-D232 PolarHBondContact O-N 3.29Å; H228-D232 VanDerWaalsContact O-OD2 3.07Å |
| 229 | P | 56.6 | Low | 54.9 | Low | 89 Ų | 89 | 107.3 Ų | 107.3 | 58% | 0.578 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.4 | -26.2 | -170.7 | 21 | -33.4 | 0 | 0 | 0 | 114.7 | Q233 | P229-Q233 VanDerWaalsContact O-CB 3.23Å; P229-Q233 WeakPolarHBondContact O-CB 3.07Å; P229-Q233 VanDerWaalsContact O-CG 3.22Å; P229-Q233 WeakPolarHBondContact O-CG 3.26Å; P229-Q233 PolarHBondContact O-N 2.71Å |
| 230 | M | 53.6 | Low | 56.4 | Low | 124 Ų | 124 | 105.5 Ų | 105.5 | 61% | 0.611 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -79 | -18 | 171.8 | -60.3 | 174.2 | 63.9 | 0 | 0 | 114.3 | H228 W234 | H228-M230 PolarHBondContact ND1-N 2.81Å; H228-M230 PolarHBondContact O-N 2.78Å; M230-W234 WeakPolarHBondContact O-CB 3.46Å; M230-W234 PolarHBondContact O-N 3.14Å |
| 231 | V | 68.2 | Low | 58.6 | Low | 21 Ų | 21 | 104.7 Ų | 104.7 | 13% | 0.127 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -95.3 | -36.5 | 173.7 | -178 | 0 | 0 | 0 | 0 | 110.6 | L224 S225 A226 H228 Q233 W234 L235 | L224-V231 HydrophobicContact CB-CG2 3.27Å; L224-V231 HydrophobicContact CD1-CG2 3.99Å; L224-V231 HydrophobicContact CG-CG2 4.26Å; S225-V231 VanDerWaalsContact O-CB 3.29Å; S225-V231 WeakPolarHBondContact O-CB 3.16Å; S225-V231 WeakPolarHBondContact O-CG2 3.42Å; A226-V231 WeakPolarHBondContact O-CB 3.44Å; A226-V231 WeakPolarHBondContact O-CG1 3.38Å; H228-V231 HydrophobicContact CB-CB 4.23Å; H228-V231 HydrophobicContact CB-CG2 4.09Å; H228-V231 CarbonylContact O-C 3.52Å; H228-V231 WeakPolarHBondContact O-CA 3.29Å; H228-V231 PolarHBondContact O-N 3.36Å; V231-Q233 VanDerWaalsContact C-N 3.3Å; V231-W234 CarbonylContact O-C 3.47Å; V231-W234 PolarHBondContact O-N 3.17Å; V231-W234 VanDerWaalsContact O-N 3.14Å; V231-L235 HydrophobicContact CG1-CD1 3.84Å; V231-L235 HydrophobicContact CG1-CG 4.05Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 VanDerWaalsContact O-CG 3.25Å; V231-L235 WeakPolarHBondContact O-CG 3.32Å; V231-L235 PolarHBondContact O-N 2.93Å |
| 232 | D | 59.8 | Low | 60.1 | Low | 64 Ų | 64 | 100.4 Ų | 100.4 | 34% | 0.342 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.3 | -48.7 | 163 | -61.5 | -66.1 | 0 | 0 | 0 | 108.4 | A226 N227 H228 W234 L235 D236 | A226-D232 PolarHBondContact O-N 2.81Å; N227-D232 WeakPolarHBondContact CA-OD1 3.17Å; N227-D232 VanDerWaalsContact CA-OD2 3.31Å; N227-D232 WeakPolarHBondContact CA-OD2 3.28Å; H228-D232 PolarHBondContact N-OD2 3.28Å; H228-D232 PolarHBondContact O-N 3.29Å; H228-D232 VanDerWaalsContact O-OD2 3.07Å; D232-W234 VanDerWaalsContact C-N 3.35Å; D232-W234 PolarHBondContact O-N 3.26Å; D232-L235 PolarHBondContact O-N 3.04Å; D232-D236 WeakPolarHBondContact O-CA 3.33Å; D232-D236 WeakPolarHBondContact O-CB 3.26Å; D232-D236 PolarHBondContact O-N 3.4Å |
| 233 | Q | 64.8 | Low | 62.1 | Low | 135 Ų | 135 | 100.8 Ų | 100.8 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -34.8 | 172.1 | -81.2 | -175.4 | -44.7 | 0 | 0 | 114.6 | P229 V231 Q237 | P229-Q233 VanDerWaalsContact O-CB 3.23Å; P229-Q233 WeakPolarHBondContact O-CB 3.07Å; P229-Q233 VanDerWaalsContact O-CG 3.22Å; P229-Q233 WeakPolarHBondContact O-CG 3.26Å; P229-Q233 PolarHBondContact O-N 2.71Å; V231-Q233 VanDerWaalsContact C-N 3.3Å; Q233-Q237 WeakPolarHBondContact O-CB 3.3Å; Q233-Q237 PolarHBondContact O-N 2.8Å |
| 234 | W | 68.5 | Low | 63.4 | Low | 158 Ų | 158 | 101.9 Ų | 101.9 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -79.3 | -30.3 | -179.1 | -168.7 | 85.1 | 0 | 0 | 0 | 112.3 | M230 V231 D232 Q238 | M230-W234 WeakPolarHBondContact O-CB 3.46Å; M230-W234 PolarHBondContact O-N 3.14Å; V231-W234 CarbonylContact O-C 3.47Å; V231-W234 PolarHBondContact O-N 3.17Å; V231-W234 VanDerWaalsContact O-N 3.14Å; D232-W234 VanDerWaalsContact C-N 3.35Å; D232-W234 PolarHBondContact O-N 3.26Å; W234-Q238 WeakPolarHBondContact O-CB 3.27Å; W234-Q238 PolarHBondContact O-N 3.44Å |
| 235 | L | 75.8 | Confident | 64.7 | Low | 68 Ų | 68 | 98 Ų | 98 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.7 | -44.3 | 171.9 | -70.4 | 173.1 | 0 | 0 | 0 | 110.7 | A226 V231 D232 Q237 Q238 E239 | A226-L235 HydrophobicContact CB-CD1 4.34Å; V231-L235 HydrophobicContact CG1-CD1 3.84Å; V231-L235 HydrophobicContact CG1-CG 4.05Å; V231-L235 WeakPolarHBondContact O-CB 3.48Å; V231-L235 VanDerWaalsContact O-CG 3.25Å; V231-L235 WeakPolarHBondContact O-CG 3.32Å; V231-L235 PolarHBondContact O-N 2.93Å; D232-L235 PolarHBondContact O-N 3.04Å; L235-Q237 PolarHBondContact O-N 2.77Å; L235-Q238 CarbonylContact O-C 3.47Å; L235-Q238 PolarHBondContact O-N 2.7Å; L235-E239 WeakPolarHBondContact O-CA 3.42Å; L235-E239 WeakPolarHBondContact O-CB 3.41Å; L235-E239 PolarHBondContact O-N 2.96Å |
| 236 | D | 69.4 | Low | 65.6 | Low | 105 Ų | 105 | 99.7 Ų | 99.7 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -54.6 | -40.9 | 168.8 | -76.5 | -18.3 | 0 | 0 | 0 | 110.1 | D232 Q240 | D232-D236 WeakPolarHBondContact O-CA 3.33Å; D232-D236 WeakPolarHBondContact O-CB 3.26Å; D232-D236 PolarHBondContact O-N 3.4Å; D236-Q240 WeakPolarHBondContact O-CA 3.36Å; D236-Q240 WeakPolarHBondContact O-CB 3.44Å; D236-Q240 PolarHBondContact O-N 3.49Å |
| 237 | Q | 72.4 | Confident | 65.8 | Low | 134 Ų | 134 | 101.6 Ų | 101.6 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -78.5 | -30.7 | 179.8 | -171.1 | 144.4 | 88.4 | 0 | 0 | 113.1 | Q233 L235 E241 | Q233-Q237 WeakPolarHBondContact O-CB 3.3Å; Q233-Q237 PolarHBondContact O-N 2.8Å; L235-Q237 PolarHBondContact O-N 2.77Å; Q237-E241 VanDerWaalsContact O-CB 3.31Å; Q237-E241 WeakPolarHBondContact O-CB 3.36Å; Q237-E241 PolarHBondContact O-N 2.98Å |
| 238 | Q | 69.5 | Low | 66.4 | Low | 86 Ų | 86 | 100.1 Ų | 100.1 | 40% | 0.402 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.8 | -39.2 | 172.1 | -173 | -178 | 12.2 | 0 | 0 | 111.8 | W234 L235 E241 E242 | W234-Q238 WeakPolarHBondContact O-CB 3.27Å; W234-Q238 PolarHBondContact O-N 3.44Å; L235-Q238 CarbonylContact O-C 3.47Å; L235-Q238 PolarHBondContact O-N 2.7Å; Q238-E241 CarbonylContact O-C 3.56Å; Q238-E241 PolarHBondContact O-N 3.24Å; Q238-E242 VanDerWaalsContact O-CB 3.26Å; Q238-E242 WeakPolarHBondContact O-CB 3.48Å; Q238-E242 PolarHBondContact O-N 3.34Å |
| 239 | E | 75.8 | Confident | 66.8 | Low | 137 Ų | 137 | 101.7 Ų | 101.7 | 64% | 0.64 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -72.3 | -31.8 | 174.9 | -172.7 | 165.6 | -163.7 | 0 | 0 | 110.1 | L235 E243 | L235-E239 WeakPolarHBondContact O-CA 3.42Å; L235-E239 WeakPolarHBondContact O-CB 3.41Å; L235-E239 PolarHBondContact O-N 2.96Å; E239-E243 WeakPolarHBondContact O-CA 3.37Å; E239-E243 WeakPolarHBondContact O-CB 3.44Å; E239-E243 PolarHBondContact O-N 3.44Å |
| 240 | Q | 68.6 | Low | 66.5 | Low | 130 Ų | 130 | 104.5 Ų | 104.5 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.6 | -35 | 167.5 | -176.9 | 162.2 | 88.6 | 0 | 0 | 112.3 | D236 E244 | D236-Q240 WeakPolarHBondContact O-CA 3.36Å; D236-Q240 WeakPolarHBondContact O-CB 3.44Å; D236-Q240 PolarHBondContact O-N 3.49Å; Q240-E244 WeakPolarHBondContact O-CB 3.13Å; Q240-E244 PolarHBondContact O-N 3.43Å |
| 241 | E | 76.5 | Confident | 66.4 | Low | 135 Ų | 135 | 104.1 Ų | 104.1 | 63% | 0.631 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.6 | -35.2 | 172 | -173.5 | 170.5 | -147 | 0 | 0 | 111.9 | Q237 Q238 A245 | Q237-E241 VanDerWaalsContact O-CB 3.31Å; Q237-E241 WeakPolarHBondContact O-CB 3.36Å; Q237-E241 PolarHBondContact O-N 2.98Å; Q238-E241 CarbonylContact O-C 3.56Å; Q238-E241 PolarHBondContact O-N 3.24Å; E241-A245 WeakPolarHBondContact O-CB 3.42Å; E241-A245 PolarHBondContact O-N 3.23Å |
| 242 | E | 73.5 | Confident | 65.7 | Low | 114 Ų | 114 | 110.6 Ų | 110.6 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -77.5 | -37.1 | 175.9 | -175.2 | 153.3 | -143.6 | 0 | 0 | 112.1 | Q238 A245 E246 | Q238-E242 VanDerWaalsContact O-CB 3.26Å; Q238-E242 WeakPolarHBondContact O-CB 3.48Å; Q238-E242 PolarHBondContact O-N 3.34Å; E242-A245 CarbonylContact O-C 3.55Å; E242-A245 PolarHBondContact O-N 2.91Å; E242-E246 HydrophobicContact CG-CG 4.43Å; E242-E246 VanDerWaalsContact O-CB 3.29Å; E242-E246 WeakPolarHBondContact O-CB 3.21Å; E242-E246 VanDerWaalsContact O-CG 3.28Å; E242-E246 WeakPolarHBondContact O-CG 3.48Å; E242-E246 PolarHBondContact O-N 3.29Å |
| 243 | E | 71.4 | Confident | 64.9 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.8 | -39.7 | 170.2 | -167.8 | -174.8 | -157.1 | 0 | 0 | 110.4 | E239 A245 E246 Q247 | E239-E243 WeakPolarHBondContact O-CA 3.37Å; E239-E243 WeakPolarHBondContact O-CB 3.44Å; E239-E243 PolarHBondContact O-N 3.44Å; E243-A245 VanDerWaalsContact C-N 3.28Å; E243-A245 PolarHBondContact O-N 3.27Å; E243-E246 PolarHBondContact O-N 3.3Å; E243-Q247 HydrophobicContact CG-CG 4.32Å; E243-Q247 VanDerWaalsContact O-CB 3.23Å; E243-Q247 WeakPolarHBondContact O-CB 3.46Å; E243-Q247 WeakPolarHBondContact O-CG 3.25Å; E243-Q247 PolarHBondContact O-N 2.76Å; E243-Q247 PolarHBondContact OE1-NE2 2.84Å |
| 244 | E | 68.9 | Low | 63.9 | Low | 89 Ų | 89 | 114.7 Ų | 114.7 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -30.6 | 171.8 | -161.4 | -170.2 | -154.6 | 0 | 0 | 111.1 | Q240 R248 | Q240-E244 WeakPolarHBondContact O-CB 3.13Å; Q240-E244 PolarHBondContact O-N 3.43Å; E244-R248 WeakPolarHBondContact O-CB 3.22Å; E244-R248 VanDerWaalsContact O-CD 3.3Å; E244-R248 WeakPolarHBondContact O-CD 3.21Å; E244-R248 WeakPolarHBondContact O-CG 3.34Å; E244-R248 PolarHBondContact O-N 3.43Å; E244-R248 IonicContact OE1-CZ 2.96Å; E244-R248 IonicContact OE1-NH1 3.82Å; E244-R248 IonicContact OE1-NH2 3.92Å; E244-R248 PolarHBondContact OE1-NH2 2.87Å; E244-R248 IonicContact OE2-CZ 2.66Å; E244-R248 IonicContact OE2-NH1 2.77Å; E244-R248 PolarHBondContact OE2-NH1 3.19Å; E244-R248 IonicContact OE2-NH2 2.89Å; E244-R248 PolarHBondContact OE2-NH2 3.46Å |
| 245 | A | 70 | Confident | 62.7 | Low | 36 Ų | 36 | 115.2 Ų | 115.2 | 30% | 0.298 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.2 | -33.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E241 E242 E243 K249 | E241-A245 WeakPolarHBondContact O-CB 3.42Å; E241-A245 PolarHBondContact O-N 3.23Å; E242-A245 CarbonylContact O-C 3.55Å; E242-A245 PolarHBondContact O-N 2.91Å; E243-A245 VanDerWaalsContact C-N 3.28Å; E243-A245 PolarHBondContact O-N 3.27Å; A245-K249 WeakPolarHBondContact O-CB 3.23Å; A245-K249 WeakPolarHBondContact O-CD 3.18Å; A245-K249 WeakPolarHBondContact O-CG 3.2Å; A245-K249 PolarHBondContact O-N 2.81Å |
| 246 | E | 65.2 | Low | 61.5 | Low | 102 Ų | 102 | 121.9 Ų | 121.9 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.5 | -42.9 | 172.6 | -77.5 | -79.5 | 107.6 | 0 | 0 | 110.5 | E242 E243 K249 Y250 | E242-E246 HydrophobicContact CG-CG 4.43Å; E242-E246 VanDerWaalsContact O-CB 3.29Å; E242-E246 WeakPolarHBondContact O-CB 3.21Å; E242-E246 VanDerWaalsContact O-CG 3.28Å; E242-E246 WeakPolarHBondContact O-CG 3.48Å; E242-E246 PolarHBondContact O-N 3.29Å; E243-E246 PolarHBondContact O-N 3.3Å; E246-K249 CarbonylContact O-C 3.5Å; E246-K249 WeakPolarHBondContact O-CA 3.31Å; E246-K249 WeakPolarHBondContact O-CB 3.47Å; E246-K249 PolarHBondContact O-N 2.92Å; E246-K249 VanDerWaalsContact O-N 3.08Å; E246-K249 WeakPolarHBondContact OE1-CD 3.36Å; E246-K249 IonicContact OE1-NZ 3.8Å; E246-K249 PolarHBondContact OE1-NZ 3.18Å; E246-Y250 WeakPolarHBondContact O-CB 3.38Å; E246-Y250 PolarHBondContact O-N 2.94Å |
| 247 | Q | 55.7 | Low | 60.2 | Low | 95 Ų | 95 | 124 Ų | 124 | 44% | 0.444 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.6 | -48.9 | 169 | -71.8 | 178.3 | 21.9 | 0 | 0 | 109.9 | E243 K249 Y250 E251 | E243-Q247 HydrophobicContact CG-CG 4.32Å; E243-Q247 VanDerWaalsContact O-CB 3.23Å; E243-Q247 WeakPolarHBondContact O-CB 3.46Å; E243-Q247 WeakPolarHBondContact O-CG 3.25Å; E243-Q247 PolarHBondContact O-N 2.76Å; E243-Q247 PolarHBondContact OE1-NE2 2.84Å; Q247-K249 PolarHBondContact O-N 2.82Å; Q247-K249 VanDerWaalsContact O-N 3.17Å; Q247-Y250 CarbonylContact O-C 3.58Å; Q247-Y250 WeakPolarHBondContact O-CA 3.43Å; Q247-Y250 PolarHBondContact O-N 3.24Å; Q247-E251 WeakPolarHBondContact O-CB 3.3Å; Q247-E251 WeakPolarHBondContact O-CG 3.47Å; Q247-E251 PolarHBondContact O-N 3.49Å |
| 248 | R | 59 | Low | 58.9 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 40% | 0.4 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -20.2 | 172.5 | -74.6 | 167 | -179.2 | 141 | 2.1 | 114.6 | E244 R252 | E244-R248 WeakPolarHBondContact O-CB 3.22Å; E244-R248 VanDerWaalsContact O-CD 3.3Å; E244-R248 WeakPolarHBondContact O-CD 3.21Å; E244-R248 WeakPolarHBondContact O-CG 3.34Å; E244-R248 PolarHBondContact O-N 3.43Å; E244-R248 IonicContact OE1-CZ 2.96Å; E244-R248 IonicContact OE1-NH1 3.82Å; E244-R248 IonicContact OE1-NH2 3.92Å; E244-R248 PolarHBondContact OE1-NH2 2.87Å; E244-R248 IonicContact OE2-CZ 2.66Å; E244-R248 IonicContact OE2-NH1 2.77Å; E244-R248 PolarHBondContact OE2-NH1 3.19Å; E244-R248 IonicContact OE2-NH2 2.89Å; E244-R248 PolarHBondContact OE2-NH2 3.46Å; R248-R252 WeakPolarHBondContact O-CB 3.35Å; R248-R252 PolarHBondContact O-NE 2.83Å; R248-R252 PolarHBondContact O-NH2 3.44Å |
| 249 | K | 59.3 | Low | 57.6 | Low | 94 Ų | 94 | 127.5 Ų | 127.5 | 41% | 0.409 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -84.3 | -30.1 | 168.9 | -76.1 | 160.1 | -179.5 | 161.3 | 0 | 111.8 | A245 E246 Q247 R253 | A245-K249 WeakPolarHBondContact O-CB 3.23Å; A245-K249 WeakPolarHBondContact O-CD 3.18Å; A245-K249 WeakPolarHBondContact O-CG 3.2Å; A245-K249 PolarHBondContact O-N 2.81Å; E246-K249 CarbonylContact O-C 3.5Å; E246-K249 WeakPolarHBondContact O-CA 3.31Å; E246-K249 WeakPolarHBondContact O-CB 3.47Å; E246-K249 PolarHBondContact O-N 2.92Å; E246-K249 VanDerWaalsContact O-N 3.08Å; E246-K249 WeakPolarHBondContact OE1-CD 3.36Å; E246-K249 IonicContact OE1-NZ 3.8Å; E246-K249 PolarHBondContact OE1-NZ 3.18Å; Q247-K249 PolarHBondContact O-N 2.82Å; Q247-K249 VanDerWaalsContact O-N 3.17Å; K249-R253 VanDerWaalsContact O-CB 3.31Å; K249-R253 WeakPolarHBondContact O-CB 3.31Å; K249-R253 PolarHBondContact O-N 2.81Å; K249-R253 VanDerWaalsContact O-N 3.11Å |
| 250 | Y | 51.1 | Low | 56.2 | Low | 148 Ų | 148 | 127.9 Ų | 127.9 | 58% | 0.58 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -82.4 | -45.5 | -176.1 | -172.9 | -113.7 | 0 | 0 | 0 | 111.4 | E246 Q247 R252 R253 I254 | E246-Y250 WeakPolarHBondContact O-CB 3.38Å; E246-Y250 PolarHBondContact O-N 2.94Å; Q247-Y250 CarbonylContact O-C 3.58Å; Q247-Y250 WeakPolarHBondContact O-CA 3.43Å; Q247-Y250 PolarHBondContact O-N 3.24Å; Y250-R252 PolarHBondContact O-N 3.35Å; Y250-R253 CarbonylContact O-C 3.57Å; Y250-R253 WeakPolarHBondContact O-CA 3.22Å; Y250-R253 WeakPolarHBondContact O-CB 3.46Å; Y250-R253 PolarHBondContact O-N 3.15Å; Y250-I254 HydrophobicContact CD1-CD1 3.73Å; Y250-I254 HydrophobicContact CE1-CD1 3.47Å; Y250-I254 VanDerWaalsContact CE1-CD1 3.47Å; Y250-I254 HydrophobicContact CE2-CD1 4.46Å; Y250-I254 HydrophobicContact CG-CD1 4.34Å; Y250-I254 WeakPolarHBondContact O-CG1 3.39Å; Y250-I254 PolarHBondContact O-N 2.74Å |
| 251 | E | 50.9 | Low | 54.5 | Low | 116 Ų | 116 | 125 Ų | 125 | 54% | 0.542 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -52.5 | -53 | 165 | -67.6 | 177.1 | 134.3 | 0 | 0 | 110.3 | Q247 R253 I254 E255 | Q247-E251 WeakPolarHBondContact O-CB 3.3Å; Q247-E251 WeakPolarHBondContact O-CG 3.47Å; Q247-E251 PolarHBondContact O-N 3.49Å; E251-R253 PolarHBondContact O-N 2.73Å; E251-I254 PolarHBondContact O-N 3.22Å; E251-E255 PolarHBondContact O-N 3.2Å |
| 252 | R | 54.3 | Low | 52.7 | Low | 157 Ų | 157 | 130.5 Ų | 130.5 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.4 | -7.2 | 176.3 | -162.8 | -175.3 | -57 | 151.5 | 7 | 114.2 | R248 Y250 | R248-R252 WeakPolarHBondContact O-CB 3.35Å; R248-R252 PolarHBondContact O-NE 2.83Å; R248-R252 PolarHBondContact O-NH2 3.44Å; Y250-R252 PolarHBondContact O-N 3.35Å |
| 253 | R | 43.2 | Very low | 51.1 | Low | 185 Ų | 185 | 128.6 Ų | 128.6 | 70% | 0.698 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -99.2 | -30 | 169.9 | -172.1 | -178.1 | -63.9 | -171.3 | 2.8 | 111.9 | K249 Y250 E251 | K249-R253 VanDerWaalsContact O-CB 3.31Å; K249-R253 WeakPolarHBondContact O-CB 3.31Å; K249-R253 PolarHBondContact O-N 2.81Å; K249-R253 VanDerWaalsContact O-N 3.11Å; Y250-R253 CarbonylContact O-C 3.57Å; Y250-R253 WeakPolarHBondContact O-CA 3.22Å; Y250-R253 WeakPolarHBondContact O-CB 3.46Å; Y250-R253 PolarHBondContact O-N 3.15Å; E251-R253 PolarHBondContact O-N 2.73Å |
| 254 | I | 43.6 | Very low | 49.2 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 52% | 0.518 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -74.8 | -35.1 | 177.5 | -75.1 | 170 | 0 | 0 | 0 | 111.8 | Y250 E251 R256 | Y250-I254 HydrophobicContact CD1-CD1 3.73Å; Y250-I254 HydrophobicContact CE1-CD1 3.47Å; Y250-I254 VanDerWaalsContact CE1-CD1 3.47Å; Y250-I254 HydrophobicContact CE2-CD1 4.46Å; Y250-I254 HydrophobicContact CG-CD1 4.34Å; Y250-I254 WeakPolarHBondContact O-CG1 3.39Å; Y250-I254 PolarHBondContact O-N 2.74Å; E251-I254 PolarHBondContact O-N 3.22Å; I254-R256 PolarHBondContact O-N 3.36Å |
| 255 | E | 43.3 | Very low | 47.8 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 17.8 | 178.5 | -70 | -170 | 132.2 | 0 | 0 | 115.9 | E251 | E251-E255 PolarHBondContact O-N 3.2Š|
| 256 | R | 49.3 | Very low | 46.1 | Very low | 208 Ų | 208 | 134.3 Ų | 134.3 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 25.3 | -177.1 | -141.6 | -175.6 | -59.9 | 151.6 | 5.7 | 116 | I254 | I254-R256 PolarHBondContact O-N 3.36Š|
| 257 | I | 42.2 | Very low | 45.3 | Very low | 148 Ų | 148 | 137 Ų | 137 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | trans | -127.8 | 115.8 | 167.8 | -57.1 | -179.9 | 0 | 0 | 0 | 108.6 | P259 | I257-P259 WeakPolarHBondContact O-CD 3.39Š| ||
| 258 | E | 45.6 | Very low | 44.2 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | trans | -74.5 | 130.3 | 175.4 | -65.3 | -174.9 | 145.4 | 0 | 0 | 111.6 | ||||
| 259 | P | 41.3 | Very low | 43 | Very low | 121 Ų | 121 | 146 Ų | 146 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -92.7 | 112.8 | 152.9 | 32.8 | -26.1 | 0 | 0 | 0 | 109.5 | I257 G261 | I257-P259 WeakPolarHBondContact O-CD 3.39Å; P259-G261 PolarHBondContact O-N 3.12Å | ||
| 260 | V | 46.5 | Very low | 41.8 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | trans | -70.1 | 102.6 | 176.8 | 179 | 0 | 0 | 0 | 0 | 110 | ||||
| 261 | G | 32.8 | Very low | 41.5 | Very low | 70 Ų | 70 | 144.8 Ų | 144.8 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | -164.2 | 139.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P259 | P259-G261 PolarHBondContact O-N 3.12Š| ||
| 262 | R | 39.9 | Very low | 41.4 | Very low | 250 Ų | 250 | 145.5 Ų | 145.5 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | trans | -90.8 | 162.9 | 161.4 | -50.3 | 178 | 176.1 | 175.8 | -2.9 | 107.6 | ||||
| 263 | A | 39 | Very low | 41.7 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 61% | 0.612 | 75% | 0.749 | S | S | * | * | cis | -154.3 | -168.2 | 14.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 264 | D | 31.9 | Very low | 43.1 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | trans | 81.6 | 163.5 | 156.5 | -49 | -26.9 | 0 | 0 | 0 | 119.5 | ||||
| 265 | S | 40.3 | Very low | 44.8 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -96.3 | 174.8 | -162.1 | 63.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 266 | S | 34.7 | Very low | 46.6 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | cis | -160.3 | 158.3 | 19.4 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 267 | L | 46.5 | Very low | 48.2 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | trans | 22.9 | 108.1 | 153.6 | -76 | 165 | 0 | 0 | 0 | 118.7 | ||||
| 268 | D | 33.1 | Very low | 50.2 | Low | 169 Ų | 169 | 115.5 Ų | 115.5 | 90% | 0.904 | 66% | 0.657 | S | S | * | * | -146.9 | 134.1 | 111 | -131 | -22.2 | 0 | 0 | 0 | 109.7 | |||||
| 269 | R | 33.7 | Very low | 52.4 | Low | 219 Ų | 219 | 108.2 Ų | 108.2 | 83% | 0.826 | 62% | 0.624 | S | S | * | * | trans | -132.5 | 113.7 | -175.9 | -131.9 | -172.6 | -169.9 | -157.5 | 2.1 | 109.5 | ||||
| 270 | S | 34 | Very low | 54.8 | Low | 104 Ų | 104 | 107.1 Ų | 107.1 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | trans | -57.9 | 140.1 | 170.1 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | V272 | S270-V272 PolarHBondContact O-N 2.84Š| ||
| 271 | P | 44.6 | Very low | 56.9 | Low | 113 Ų | 113 | 104.2 Ų | 104.2 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | trans | -70.1 | 117 | -177 | 27.1 | -33.3 | 0 | 0 | 0 | 110 | L273 | P271-L273 PolarHBondContact O-N 2.81Š| ||
| 272 | V | 50.1 | Low | 59.7 | Low | 132 Ų | 132 | 101.2 Ų | 101.2 | 80% | 0.8 | 56% | 0.558 | S | S | * | * | trans | -66.4 | 104 | 169.3 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | S270 S274 | S270-V272 PolarHBondContact O-N 2.84Å; V272-S274 PolarHBondContact O-N 3.34Å; V272-S274 VanDerWaalsContact O-N 3.12Å | ||
| 273 | L | 61.3 | Low | 62.2 | Low | 69 Ų | 69 | 95.8 Ų | 95.8 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | trans | -60.4 | 114 | 178.7 | -65 | 176.7 | 0 | 0 | 0 | 109.6 | P271 | P271-L273 PolarHBondContact O-N 2.81Š| ||
| 274 | S | 72.5 | Confident | 64.6 | Low | 66 Ų | 66 | 92.4 Ų | 92.4 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | trans | -81 | 150.7 | 174.7 | 71.7 | 0 | 0 | 0 | 0 | 110.5 | V272 E276 S277 | V272-S274 PolarHBondContact O-N 3.34Å; V272-S274 VanDerWaalsContact O-N 3.12Å; S274-E276 PolarHBondContact O-N 2.91Å; S274-E276 VanDerWaalsContact O-N 3.1Å; S274-S277 WeakPolarHBondContact O-CA 3.26Å; S274-S277 WeakPolarHBondContact O-CB 3.22Å; S274-S277 PolarHBondContact O-N 2.98Å; S274-S277 WeakPolarHBondContact OG-CB 3.49Å; S274-S277 PolarHBondContact OG-N 3.19Å | ||
| 275 | L | 78.2 | Confident | 67.2 | Low | 25 Ų | 25 | 87.4 Ų | 87.4 | 13% | 0.131 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.2 | -176.9 | -158.9 | 69.1 | 0 | 0 | 0 | 113.2 | Y373 L376 | L275-Y373 HydrophobicContact CD1-CD2 3.46Å; L275-Y373 VanDerWaalsContact CD1-CD2 3.46Å; L275-Y373 HydrophobicContact CD1-CE2 3.66Å; L275-Y373 HydrophobicContact CD2-CE2 4.35Å; L275-Y373 HydrophobicContact CG-CD2 4.2Å; L275-Y373 HydrophobicContact CG-CE2 4Å; L275-L376 HydrophobicContact CD1-CB 3.95Å |
| 276 | E | 81.4 | Confident | 69.2 | Low | 93 Ų | 93 | 84.3 Ų | 84.3 | 44% | 0.435 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -32 | 175.4 | -160.5 | 68.5 | -163.8 | 0 | 0 | 112.2 | S274 M278 L279 R333 | S274-E276 PolarHBondContact O-N 2.91Å; S274-E276 VanDerWaalsContact O-N 3.1Å; E276-M278 PolarHBondContact O-N 3.35Å; E276-M278 VanDerWaalsContact O-N 3.09Å; E276-L279 PolarHBondContact O-N 2.92Å; E276-L279 VanDerWaalsContact O-N 3.14Å; E276-R333 VanDerWaalsContact CD-NH2 3.29Å; E276-R333 IonicContact OE1-CZ 2.66Å; E276-R333 VanDerWaalsContact OE1-CZ 3.3Å; E276-R333 IonicContact OE1-NH1 3.77Å; E276-R333 PolarHBondContact OE1-NH1 3.38Å; E276-R333 IonicContact OE1-NH2 3.19Å; E276-R333 PolarHBondContact OE1-NH2 3.46Å; E276-R333 IonicContact OE2-CZ 3.24Å; E276-R333 IonicContact OE2-NH1 2.66Å; E276-R333 IonicContact OE2-NH2 3.25Å; E276-R333 PolarHBondContact OE2-NH2 3.03Å |
| 277 | S | 83.1 | Confident | 71.1 | Confident | 81 Ų | 81 | 85.5 Ų | 85.5 | 57% | 0.566 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -5.5 | 176.3 | -171.8 | 0 | 0 | 0 | 0 | 113.7 | S274 | S274-S277 WeakPolarHBondContact O-CA 3.26Å; S274-S277 WeakPolarHBondContact O-CB 3.22Å; S274-S277 PolarHBondContact O-N 2.98Å; S274-S277 WeakPolarHBondContact OG-CB 3.49Å; S274-S277 PolarHBondContact OG-N 3.19Å |
| 278 | M | 84.9 | Confident | 72.1 | Confident | 3 Ų | 3 | 81.9 Ų | 81.9 | 2% | 0.015 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -1.4 | 177.9 | -54.5 | 177.2 | 69.9 | 0 | 0 | 112.7 | E276 P366 M369 Q372 L376 | E276-M278 PolarHBondContact O-N 3.35Å; E276-M278 VanDerWaalsContact O-N 3.09Å; M278-P366 WeakPolarHBondContact O-CD 3.2Å; M278-M369 HydrophobicContact CB-CE 4.06Å; M278-M369 HydrophobicContact CB-SD 4.39Å; M278-M369 HydrophobicContact CE-CB 3.88Å; M278-M369 HydrophobicContact CE-CE 4.15Å; M278-M369 WeakPolarHBondContact CE-O 3.29Å; M278-M369 HydrophobicContact CG-CE 3.88Å; M278-Q372 HydrophobicContact CE-CB 3.48Å; M278-Q372 VanDerWaalsContact CE-CB 3.48Å; M278-L376 HydrophobicContact CE-CD1 4.46Å; M278-L376 HydrophobicContact SD-CD1 3.63Å |
| 279 | L | 90.4 | Very high | 73.9 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 11% | 0.11 | 44% | 0.441 | C | S | . | . | trans | -95.6 | 114.7 | -174.6 | -54.3 | -169.6 | 0 | 0 | 0 | 111 | E276 P281 V332 H363 V365 | E276-L279 PolarHBondContact O-N 2.92Å; E276-L279 VanDerWaalsContact O-N 3.14Å; L279-P281 WeakPolarHBondContact O-CD 3.31Å; L279-V332 HydrophobicContact CD1-CG2 3.76Å; L279-V332 HydrophobicContact CD2-CG2 3.55Å; L279-V332 HydrophobicContact CG-CG2 4.3Å; L279-H363 HydrophobicContact CB-CB 4.36Å; L279-H363 HydrophobicContact CD1-CB 4.17Å; L279-V365 HydrophobicContact CD2-CG2 3.51Å | ||
| 280 | K | 91.2 | Very high | 76.1 | Confident | 97 Ų | 97 | 70.3 Ų | 70.3 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 117.7 | 165.6 | -177.2 | -168.6 | 174.2 | -158.2 | 0 | 108.5 | V282 V364 P366 | K280-V282 HydrophobicContact CD-CG2 3.93Å; K280-V282 HydrophobicContact CG-CG2 4.1Å; K280-V364 PolarHBondContact N-O 3.1Å; K280-V364 PolarHBondContact O-N 3.46Å; K280-P366 HydrophobicContact CB-CG 4.24Å |
| 281 | P | 91.4 | Very high | 78.5 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 133.5 | 164 | 28 | -31.7 | 0 | 0 | 0 | 109.5 | L279 L361 F362 | L279-P281 WeakPolarHBondContact O-CD 3.31Å; P281-L361 HydrophobicContact CB-CD1 3.92Å; P281-F362 CarbonylContact C-O 3.5Å; P281-F362 WeakPolarHBondContact CA-O 3.36Å |
| 282 | V | 91.8 | Very high | 80.6 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 106 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | K280 V284 L324 F325 F362 V364 | K280-V282 HydrophobicContact CD-CG2 3.93Å; K280-V282 HydrophobicContact CG-CG2 4.1Å; V282-V284 HydrophobicContact CG1-CG2 3.97Å; V282-L324 HydrophobicContact CG1-CB 3.89Å; V282-L324 HydrophobicContact CG1-CD2 4.02Å; V282-L324 WeakPolarHBondContact CG1-O 3.23Å; V282-F325 HydrophobicContact CG1-CZ 4.31Å; V282-F362 HydrophobicContact CB-CB 4.41Å; V282-F362 PolarHBondContact N-O 3.09Å; V282-F362 PolarHBondContact O-N 3.46Å; V282-V364 HydrophobicContact CB-CG2 4.17Å; V282-V364 HydrophobicContact CG2-CB 4.31Å; V282-V364 HydrophobicContact CG2-CG2 3.79Å |
| 283 | E | 91.5 | Very high | 82.6 | Confident | 137 Ų | 137 | 55.6 Ų | 55.6 | 64% | 0.64 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 135.3 | 175.5 | -168.4 | 175.2 | 145.1 | 0 | 0 | 109.9 | V359 L361 | E283-V359 HydrophobicContact CG-CG1 3.42Å; E283-V359 VanDerWaalsContact CG-CG1 3.42Å; E283-V359 WeakPolarHBondContact OE1-CG1 3.34Å; E283-L361 HydrophobicContact CB-CD1 4.35Å |
| 284 | V | 89.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 121.7 | -171 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | V282 L291 L324 F325 V359 I360 F362 | V282-V284 HydrophobicContact CG1-CG2 3.97Å; V284-L291 HydrophobicContact CG1-CD1 3.5Å; V284-L291 VanDerWaalsContact CG1-CD1 3.5Å; V284-L291 HydrophobicContact CG1-CD2 4.21Å; V284-L291 HydrophobicContact CG1-CG 4.5Å; V284-L324 HydrophobicContact CB-CD1 4.34Å; V284-L324 HydrophobicContact CG1-CD1 3.9Å; V284-L324 HydrophobicContact CG2-CD1 3.77Å; V284-L324 HydrophobicContact CG2-CD2 4.21Å; V284-L324 HydrophobicContact CG2-CG 4.41Å; V284-F325 HydrophobicContact CG2-CE2 4.33Å; V284-F325 HydrophobicContact CG2-CZ 4.42Å; V284-V359 CarbonylContact O-C 3.52Å; V284-V359 WeakPolarHBondContact O-CA 3.35Å; V284-I360 HydrophobicContact CB-CB 4.5Å; V284-I360 PolarHBondContact N-O 2.9Å; V284-I360 PolarHBondContact O-N 2.78Å; V284-F362 HydrophobicContact CB-CD2 4.31Å; V284-F362 HydrophobicContact CB-CE2 4.08Å; V284-F362 HydrophobicContact CG2-CD2 3.67Å; V284-F362 HydrophobicContact CG2-CE2 3.8Å |
| 285 | S | 86.2 | Confident | 84.9 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 139 | 170.3 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | E287 K318 | S285-E287 VanDerWaalsContact C-N 3.33Å; S285-K318 PolarHBondContact O-NZ 2.77Å; S285-K318 PolarHBondContact OG-NZ 3.06Å |
| 286 | N | 83.2 | Confident | 85.5 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | trans | -85.5 | -10.9 | 178.5 | -166.9 | 37.5 | 0 | 0 | 0 | 112.3 | M355 C357 P358 I360 | N286-M355 VanDerWaalsContact ND2-C 3.31Å; N286-M355 PolarHBondContact ND2-O 3.17Å; N286-M355 WeakPolarHBondContact OD1-CE 3.12Å; N286-C357 WeakPolarHBondContact CB-O 3.28Å; N286-C357 PolarHBondContact ND2-O 3Å; N286-P358 PolarHBondContact N-O 2.98Å; N286-I360 HydrophobicContact CB-CD1 4.48Å | ||
| 287 | E | 75.6 | Confident | 85.8 | Confident | 126 Ų | 126 | 53.4 Ų | 53.4 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 139 | 173.4 | -50.7 | -51.1 | 140.1 | 0 | 0 | 111.1 | S285 K318 | S285-E287 VanDerWaalsContact C-N 3.33Å; E287-K318 PolarHBondContact O-NZ 2.84Å |
| 288 | G | 65.6 | Low | 86 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 86% | 0.856 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.5 | 10.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 289 | G | 72.6 | Confident | 85.7 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 106.4 | -159.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 290 | P | 79.3 | Confident | 84.4 | Confident | 103 Ų | 103 | 53.6 Ų | 53.6 | 67% | 0.669 | 33% | 0.329 | S | S | * | . | trans | -68.8 | 139.2 | -173.7 | 28.7 | -34.5 | 0 | 0 | 0 | 112.1 | G292 | P290-G292 PolarHBondContact O-N 3.13Š| ||
| 291 | L | 84.8 | Confident | 82.6 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | trans | -65.5 | -20.5 | -176.9 | -175.5 | 52.6 | 0 | 0 | 0 | 114 | V284 I293 K318 A319 L324 F325 F351 F362 | V284-L291 HydrophobicContact CG1-CD1 3.5Å; V284-L291 VanDerWaalsContact CG1-CD1 3.5Å; V284-L291 HydrophobicContact CG1-CD2 4.21Å; V284-L291 HydrophobicContact CG1-CG 4.5Å; L291-I293 HydrophobicContact CD2-CD1 3.79Å; L291-I293 HydrophobicContact CD2-CG1 4.23Å; L291-I293 HydrophobicContact CG-CD1 4.28Å; L291-I293 HydrophobicContact CG-CG1 4.26Å; L291-I293 HydrophobicContact CG-CG2 4.33Å; L291-K318 HydrophobicContact CD1-CB 4.37Å; L291-A319 HydrophobicContact CD1-CB 4.16Å; L291-A319 HydrophobicContact CG-CB 4.38Å; L291-A319 WeakPolarHBondContact O-CB 3.28Å; L291-A319 PolarHBondContact O-N 3.47Å; L291-L324 HydrophobicContact CD1-CD1 3.99Å; L291-F325 HydrophobicContact CD1-CE2 4.47Å; L291-F325 HydrophobicContact CD2-CE2 4.13Å; L291-F351 HydrophobicContact CD2-CZ 4.37Å; L291-F362 HydrophobicContact CD2-CE2 3.81Å; L291-F362 HydrophobicContact CD2-CZ 3.8Å | ||
| 292 | G | 87.6 | Confident | 80.9 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | trans | 72.6 | 38.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P290 E314 | P290-G292 PolarHBondContact O-N 3.13Å; G292-E314 WeakPolarHBondContact CA-OE2 3.39Å; G292-E314 PolarHBondContact O-N 3.26Å | ||
| 293 | I | 91.6 | Very high | 79.4 | Confident | 23 Ų | 23 | 63.7 Ų | 63.7 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129.7 | 177.4 | 62.3 | 176.7 | 0 | 0 | 0 | 112.8 | L291 V295 L313 A319 F325 I331 F351 | L291-I293 HydrophobicContact CD2-CD1 3.79Å; L291-I293 HydrophobicContact CD2-CG1 4.23Å; L291-I293 HydrophobicContact CG-CD1 4.28Å; L291-I293 HydrophobicContact CG-CG1 4.26Å; L291-I293 HydrophobicContact CG-CG2 4.33Å; I293-V295 HydrophobicContact CD1-CG1 3.97Å; I293-V295 HydrophobicContact CG1-CG1 4.23Å; I293-L313 HydrophobicContact CG2-CD2 3.83Å; I293-A319 HydrophobicContact CG2-CB 3.27Å; I293-F325 HydrophobicContact CD1-CE2 4.35Å; I293-F325 HydrophobicContact CD1-CZ 4.39Å; I293-F325 HydrophobicContact CG2-CD2 4.03Å; I293-F325 HydrophobicContact CG2-CE2 4.4Å; I293-I331 HydrophobicContact CD1-CD1 4.21Å; I293-F351 HydrophobicContact CD1-CE2 4.06Å; I293-F351 HydrophobicContact CD1-CZ 4.04Å; I293-F351 HydrophobicContact CG1-CZ 4.42Å |
| 294 | H | 89.8 | Confident | 78.3 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 32% | 0.324 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 98.8 | 171 | -65.8 | -40 | 0 | 0 | 0 | 110.1 | K311 R312 E314 | H294-K311 WeakPolarHBondContact O-CB 3.29Å; H294-K311 PolarHBondContact O-N 2.69Å; H294-R312 HydrophobicContact CB-CB 4.38Å; H294-R312 PolarHBondContact N-O 2.82Å; H294-R312 PolarHBondContact NE2-NH2 3.45Å; H294-E314 IonicContact CE1-OE1 2.71Å; H294-E314 PolarHBondContact CE1-OE1 3.33Å; H294-E314 IonicContact ND1-OE1 2.73Å; H294-E314 PolarHBondContact ND1-OE1 2.86Å; H294-E314 IonicContact NE2-OE1 3.14Å |
| 295 | V | 92.5 | Very high | 77.8 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 144.4 | 178.6 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | I293 L308 L309 V310 I331 | I293-V295 HydrophobicContact CD1-CG1 3.97Å; I293-V295 HydrophobicContact CG1-CG1 4.23Å; V295-L308 HydrophobicContact CB-CB 4.3Å; V295-L308 HydrophobicContact CG2-CD1 4.4Å; V295-L309 CarbonylContact C-O 3.58Å; V295-L309 WeakPolarHBondContact CA-O 3.48Å; V295-V310 HydrophobicContact CG1-CG2 4.31Å; V295-I331 HydrophobicContact CG1-CD1 4.14Å |
| 296 | V | 90.7 | Very high | 77.8 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 33% | 0.327 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 159.4 | 173 | -59.7 | 0 | 0 | 0 | 0 | 111 | F298 L308 L309 K311 | V296-F298 PolarHBondContact O-N 2.74Å; V296-L308 CarbonylContact O-C 3.51Å; V296-L308 WeakPolarHBondContact O-CA 3.02Å; V296-L309 HydrophobicContact CG2-CB 3.97Å; V296-L309 HydrophobicContact CG2-CD2 4.48Å; V296-L309 PolarHBondContact N-O 3.24Å; V296-L309 PolarHBondContact O-N 2.95Å; V296-K311 HydrophobicContact CG1-CB 4.15Å; V296-K311 HydrophobicContact CG1-CD 3.92Å; V296-K311 HydrophobicContact CG2-CB 4.16Å; V296-K311 HydrophobicContact CG2-CD 4.42Å |
| 297 | S | 88.8 | Confident | 78.1 | Confident | 45 Ų | 45 | 60.2 Ų | 60.2 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 124.3 | 169.9 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | T305 | S297-T305 WeakPolarHBondContact OG-CG2 3.1Å |
| 298 | F | 86.8 | Confident | 79 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 8% | 0.083 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120 | 162.4 | -171 | -122.5 | 0 | 0 | 0 | 108.2 | V296 T305 Q306 G307 L309 K370 Y373 E374 | V296-F298 PolarHBondContact O-N 2.74Å; F298-T305 CarbonylContact O-C 3.6Å; F298-T305 VanDerWaalsContact O-C 3.3Å; F298-T305 WeakPolarHBondContact O-CA 2.94Å; F298-T305 WeakPolarHBondContact O-CB 3.45Å; F298-Q306 HydrophobicContact CD1-CB 3.75Å; F298-Q306 HydrophobicContact CE1-CB 4.12Å; F298-Q306 PolarHBondContact O-N 3.45Å; F298-G307 PolarHBondContact N-O 2.74Å; F298-G307 PolarHBondContact O-N 2.85Å; F298-L309 HydrophobicContact CB-CB 4.16Å; F298-L309 HydrophobicContact CD2-CD1 4.47Å; F298-K370 HydrophobicContact CZ-CG 4.48Å; F298-Y373 HydrophobicContact CD1-CE1 4.42Å; F298-Y373 HydrophobicContact CE1-CD1 4.2Å; F298-Y373 HydrophobicContact CE1-CE1 4.19Å; F298-E374 HydrophobicContact CZ-CB 4.39Å; F298-E374 HydrophobicContact CZ-CG 4.48Å |
| 299 | S | 79.3 | Confident | 80.3 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | trans | -153.8 | 120.9 | -171.6 | 49.6 | 0 | 0 | 0 | 0 | 110.3 | H301 R304 | S299-H301 PolarHBondContact O-N 2.89Å; S299-R304 WeakPolarHBondContact CB-O 3.41Å | ||
| 300 | S | 61.8 | Low | 81.3 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -87.9 | 95.4 | 174.2 | -158.4 | 0 | 0 | 0 | 0 | 109.1 | D302 | S300-D302 PolarHBondContact O-N 3.25Š|
| 301 | H | 54.5 | Low | 81.8 | Confident | 197 Ų | 197 | 50.5 Ų | 50.5 | 91% | 0.912 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 59 | -17.1 | 172.9 | -62.4 | -82 | 0 | 0 | 0 | 120.1 | S299 | S299-H301 PolarHBondContact O-N 2.89Š|
| 302 | D | 55.2 | Low | 82 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -100.8 | 168 | 172.7 | -173.2 | 34.4 | 0 | 0 | 0 | 113 | S300 R304 | S300-D302 PolarHBondContact O-N 3.25Å; D302-R304 PolarHBondContact O-N 2.9Å; D302-R304 VanDerWaalsContact OD2-CD 3.23Å; D302-R304 WeakPolarHBondContact OD2-CD 3.36Å; D302-R304 WeakPolarHBondContact OD2-CG 3.49Å; D302-R304 IonicContact OD2-NE 3.7Å |
| 303 | V | 60.8 | Low | 82.2 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 70% | 0.703 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -67.7 | -13.3 | 175 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 304 | R | 67.3 | Low | 82 | Confident | 138 Ų | 138 | 60.1 Ų | 60.1 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -79.3 | 132.3 | 174.8 | -69 | 173.1 | -169.9 | -77.4 | 3 | 111.6 | S299 D302 N341 | S299-R304 WeakPolarHBondContact CB-O 3.41Å; D302-R304 PolarHBondContact O-N 2.9Å; D302-R304 VanDerWaalsContact OD2-CD 3.23Å; D302-R304 WeakPolarHBondContact OD2-CD 3.36Å; D302-R304 WeakPolarHBondContact OD2-CG 3.49Å; D302-R304 IonicContact OD2-NE 3.7Å; R304-N341 HydrophobicContact CB-CB 4.49Å |
| 305 | T | 80.9 | Confident | 81.7 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -90.3 | 121.4 | 179.7 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | S297 F298 G307 I339 R340 N341 L342 | S297-T305 WeakPolarHBondContact OG-CG2 3.1Å; F298-T305 CarbonylContact O-C 3.6Å; F298-T305 VanDerWaalsContact O-C 3.3Å; F298-T305 WeakPolarHBondContact O-CA 2.94Å; F298-T305 WeakPolarHBondContact O-CB 3.45Å; T305-G307 PolarHBondContact O-N 3.43Å; T305-I339 PolarHBondContact OG1-O 2.92Å; T305-R340 CarbonylContact O-C 3.54Å; T305-R340 WeakPolarHBondContact O-CA 3.34Å; T305-N341 PolarHBondContact O-N 3.33Å; T305-L342 PolarHBondContact N-O 3.05Å; T305-L342 PolarHBondContact OG1-O 2.92Å; T305-L342 VanDerWaalsContact OG1-O 3.12Å |
| 306 | Q | 85.3 | Confident | 81 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -68.3 | -6.7 | 168 | -69.6 | -174.3 | -6.1 | 0 | 0 | 113.1 | F298 Y373 | F298-Q306 HydrophobicContact CD1-CB 3.75Å; F298-Q306 HydrophobicContact CE1-CB 4.12Å; F298-Q306 PolarHBondContact O-N 3.45Å; Q306-Y373 HydrophobicContact CB-CE1 4.36Å; Q306-Y373 PolarHBondContact O-OH 2.81Å |
| 307 | G | 89.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.8 | -162.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | F298 T305 I331 | F298-G307 PolarHBondContact N-O 2.74Å; F298-G307 PolarHBondContact O-N 2.85Å; T305-G307 PolarHBondContact O-N 3.43Å; G307-I331 CarbonylContact C-O 3.58Å; G307-I331 VanDerWaalsContact CA-O 3.31Å; G307-I331 WeakPolarHBondContact CA-O 3.42Å |
| 308 | L | 93.1 | Very high | 80.5 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.9 | 169.4 | -70.3 | 176.7 | 0 | 0 | 0 | 109.6 | V295 V296 C330 I331 I339 F344 A347 | V295-L308 HydrophobicContact CB-CB 4.3Å; V295-L308 HydrophobicContact CG2-CD1 4.4Å; V296-L308 CarbonylContact O-C 3.51Å; V296-L308 WeakPolarHBondContact O-CA 3.02Å; L308-C330 CarbonylContact O-C 3.51Å; L308-I331 HydrophobicContact CB-CB 4.33Å; L308-I331 PolarHBondContact N-O 2.84Å; L308-I331 PolarHBondContact O-N 2.87Å; L308-I339 HydrophobicContact CB-CD1 4.14Å; L308-I339 HydrophobicContact CD1-CD1 3.68Å; L308-I339 HydrophobicContact CG-CD1 3.72Å; L308-F344 HydrophobicContact CD2-CD2 3.55Å; L308-F344 HydrophobicContact CD2-CE2 3.56Å; L308-A347 HydrophobicContact CD1-CB 4.14Å; L308-A347 HydrophobicContact CD2-CB 4.46Å; L308-A347 HydrophobicContact CG-CB 4.38Å |
| 309 | L | 93 | Very high | 80.6 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125.4 | 175.3 | -167.8 | 75.7 | 0 | 0 | 0 | 109.8 | V295 V296 F298 K311 N328 C330 K370 | V295-L309 CarbonylContact C-O 3.58Å; V295-L309 WeakPolarHBondContact CA-O 3.48Å; V296-L309 HydrophobicContact CG2-CB 3.97Å; V296-L309 HydrophobicContact CG2-CD2 4.48Å; V296-L309 PolarHBondContact N-O 3.24Å; V296-L309 PolarHBondContact O-N 2.95Å; F298-L309 HydrophobicContact CB-CB 4.16Å; F298-L309 HydrophobicContact CD2-CD1 4.47Å; L309-K311 PolarHBondContact O-N 3.31Å; L309-K311 VanDerWaalsContact O-N 3.11Å; L309-N328 HydrophobicContact CD1-CB 4.46Å; L309-N328 VanDerWaalsContact CD1-O 3.31Å; L309-N328 WeakPolarHBondContact CD1-O 3.31Å; L309-C330 HydrophobicContact CD1-CB 4.3Å; L309-K370 HydrophobicContact CD1-CD 4.06Å |
| 310 | V | 93.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 103.7 | 165.5 | -179.3 | 0 | 0 | 0 | 0 | 107.1 | V295 L313 F325 N328 D329 I331 | V295-V310 HydrophobicContact CG1-CG2 4.31Å; V310-L313 HydrophobicContact CG1-CD2 3.69Å; V310-F325 HydrophobicContact CG1-CB 4.44Å; V310-F325 HydrophobicContact CG2-CB 4.42Å; V310-F325 HydrophobicContact CG2-CD1 4.08Å; V310-F325 HydrophobicContact CG2-CG 4.43Å; V310-N328 WeakPolarHBondContact O-CA 3.44Å; V310-N328 PolarHBondContact O-N 2.89Å; V310-D329 HydrophobicContact CB-CB 4.35Å; V310-D329 HydrophobicContact CG2-CB 4.24Å; V310-D329 PolarHBondContact N-O 3.49Å; V310-I331 HydrophobicContact CG2-CD1 4.06Å; V310-I331 HydrophobicContact CG2-CG1 4.21Å |
| 311 | K | 90.3 | Very high | 82 | Confident | 129 Ų | 129 | 67 Ų | 67 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -37.6 | -175.7 | -177 | 169.6 | -179.9 | 170.8 | 0 | 112.2 | H294 V296 L309 | H294-K311 WeakPolarHBondContact O-CB 3.29Å; H294-K311 PolarHBondContact O-N 2.69Å; V296-K311 HydrophobicContact CG1-CB 4.15Å; V296-K311 HydrophobicContact CG1-CD 3.92Å; V296-K311 HydrophobicContact CG2-CB 4.16Å; V296-K311 HydrophobicContact CG2-CD 4.42Å; L309-K311 PolarHBondContact O-N 3.31Å; L309-K311 VanDerWaalsContact O-N 3.11Å |
| 312 | R | 89.8 | Confident | 83.5 | Confident | 140 Ų | 140 | 61.9 Ų | 61.9 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 158.6 | 174.7 | -65.3 | -169.6 | -55.4 | 178.7 | 13.2 | 110.4 | H294 E327 | H294-R312 HydrophobicContact CB-CB 4.38Å; H294-R312 PolarHBondContact N-O 2.82Å; H294-R312 PolarHBondContact NE2-NH2 3.45Å; R312-E327 VanDerWaalsContact CA-OE1 3.23Å; R312-E327 WeakPolarHBondContact CA-OE1 3.35Å; R312-E327 WeakPolarHBondContact CB-OE1 3.47Å; R312-E327 WeakPolarHBondContact CG-OE1 3.43Å |
| 313 | L | 90.9 | Very high | 85 | Confident | 28 Ų | 28 | 68 Ų | 68 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 156.7 | 164.6 | -50.9 | 180 | 0 | 0 | 0 | 109.5 | I293 V310 A319 E320 F325 | I293-L313 HydrophobicContact CG2-CD2 3.83Å; V310-L313 HydrophobicContact CG1-CD2 3.69Å; L313-A319 HydrophobicContact CD2-CB 4.2Å; L313-E320 HydrophobicContact CB-CB 4.3Å; L313-E320 HydrophobicContact CD1-CB 4.15Å; L313-E320 HydrophobicContact CD1-CG 4.45Å; L313-F325 HydrophobicContact CD2-CB 4.15Å |
| 314 | E | 88.6 | Confident | 86.3 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 124.2 | 170.1 | -67.5 | -179.4 | 165.8 | 0 | 0 | 108.8 | G292 H294 G316 G317 | G292-E314 WeakPolarHBondContact CA-OE2 3.39Å; G292-E314 PolarHBondContact O-N 3.26Å; H294-E314 IonicContact CE1-OE1 2.71Å; H294-E314 PolarHBondContact CE1-OE1 3.33Å; H294-E314 IonicContact ND1-OE1 2.73Å; H294-E314 PolarHBondContact ND1-OE1 2.86Å; H294-E314 IonicContact NE2-OE1 3.14Å; E314-G316 PolarHBondContact O-N 2.92Å; E314-G317 WeakPolarHBondContact O-CA 3.16Å; E314-G317 PolarHBondContact O-N 2.8Å |
| 315 | P | 81.8 | Confident | 87.5 | Confident | 117 Ų | 117 | 57.4 Ų | 57.4 | 76% | 0.76 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 130 | -178.2 | -27.6 | 36.1 | 0 | 0 | 0 | 112.8 | G317 E320 | P315-G317 PolarHBondContact O-N 3.41Å; P315-E320 WeakPolarHBondContact CA-OE2 3.22Å |
| 316 | G | 77.9 | Confident | 87.9 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -1.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E314 E320 | E314-G316 PolarHBondContact O-N 2.92Å; G316-E320 PolarHBondContact N-OE2 3.28Å |
| 317 | G | 84.1 | Confident | 88.1 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -70.9 | 155.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E314 P315 A319 E320 H321 | E314-G317 WeakPolarHBondContact O-CA 3.16Å; E314-G317 PolarHBondContact O-N 2.8Å; P315-G317 PolarHBondContact O-N 3.41Å; G317-A319 VanDerWaalsContact C-N 3.3Å; G317-A319 PolarHBondContact O-N 2.82Å; G317-E320 PolarHBondContact O-N 3.29Å; G317-H321 PolarHBondContact O-N 2.83Å |
| 318 | K | 85.9 | Confident | 88.1 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.7 | -42.3 | -171.3 | -169.6 | 173 | -173.4 | 179 | 0 | 113.6 | S285 E287 L291 E320 H321 E322 | S285-K318 PolarHBondContact O-NZ 2.77Å; S285-K318 PolarHBondContact OG-NZ 3.06Å; E287-K318 PolarHBondContact O-NZ 2.84Å; L291-K318 HydrophobicContact CD1-CB 4.37Å; K318-E320 VanDerWaalsContact C-N 3.29Å; K318-E320 PolarHBondContact O-N 2.94Å; K318-H321 PolarHBondContact O-N 2.97Å; K318-E322 WeakPolarHBondContact CE-OE1 3.5Å; K318-E322 WeakPolarHBondContact CE-OE2 3.44Å; K318-E322 HydrophobicContact CG-CG 4.27Å; K318-E322 IonicContact NZ-OE1 3.34Å; K318-E322 WeakPolarHBondContact O-CB 3.3Å; K318-E322 PolarHBondContact O-N 2.86Å |
| 319 | A | 87.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -31.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L291 I293 L313 G317 R323 L324 F325 | L291-A319 HydrophobicContact CD1-CB 4.16Å; L291-A319 HydrophobicContact CG-CB 4.38Å; L291-A319 WeakPolarHBondContact O-CB 3.28Å; L291-A319 PolarHBondContact O-N 3.47Å; I293-A319 HydrophobicContact CG2-CB 3.27Å; L313-A319 HydrophobicContact CD2-CB 4.2Å; G317-A319 VanDerWaalsContact C-N 3.3Å; G317-A319 PolarHBondContact O-N 2.82Å; A319-R323 WeakPolarHBondContact O-CA 3.41Å; A319-R323 PolarHBondContact O-N 2.83Å; A319-L324 PolarHBondContact O-N 2.8Å; A319-F325 HydrophobicContact CB-CD2 3.82Å; A319-F325 HydrophobicContact CB-CE2 4.42Å |
| 320 | E | 86.7 | Confident | 88.2 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -80.5 | -48.5 | 175.1 | -172.8 | -171.1 | -111.9 | 0 | 0 | 110.7 | L313 P315 G316 G317 K318 E322 R323 | L313-E320 HydrophobicContact CB-CB 4.3Å; L313-E320 HydrophobicContact CD1-CB 4.15Å; L313-E320 HydrophobicContact CD1-CG 4.45Å; P315-E320 WeakPolarHBondContact CA-OE2 3.22Å; G316-E320 PolarHBondContact N-OE2 3.28Å; G317-E320 PolarHBondContact O-N 3.29Å; K318-E320 VanDerWaalsContact C-N 3.29Å; K318-E320 PolarHBondContact O-N 2.94Å; E320-E322 PolarHBondContact O-N 3.11Å; E320-R323 WeakPolarHBondContact O-CG 3.44Å; E320-R323 PolarHBondContact O-N 2.9Å |
| 321 | H | 84.6 | Confident | 88.2 | Confident | 153 Ų | 153 | 70.1 Ų | 70.1 | 71% | 0.708 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -47.1 | -178.3 | -173 | 83.2 | 0 | 0 | 0 | 112.3 | G317 K318 R323 | G317-H321 PolarHBondContact O-N 2.83Å; K318-H321 PolarHBondContact O-N 2.97Å; H321-R323 VanDerWaalsContact C-N 3.28Å; H321-R323 PolarHBondContact O-N 2.93Å |
| 322 | E | 86.1 | Confident | 88.3 | Confident | 89 Ų | 89 | 64 Ų | 64 | 42% | 0.416 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.3 | 177.3 | -64.2 | 178.6 | 175.9 | 0 | 0 | 112.8 | K318 E320 L324 | K318-E322 WeakPolarHBondContact CE-OE1 3.5Å; K318-E322 WeakPolarHBondContact CE-OE2 3.44Å; K318-E322 HydrophobicContact CG-CG 4.27Å; K318-E322 IonicContact NZ-OE1 3.34Å; K318-E322 WeakPolarHBondContact O-CB 3.3Å; K318-E322 PolarHBondContact O-N 2.86Å; E320-E322 PolarHBondContact O-N 3.11Å; E322-L324 HydrophobicContact CB-CD1 4.02Å; E322-L324 HydrophobicContact CB-CD2 4.22Å; E322-L324 HydrophobicContact CB-CG 3.74Å; E322-L324 PolarHBondContact O-N 2.95Å; E322-L324 WeakPolarHBondContact OE2-CD1 3.29Å |
| 323 | R | 87.1 | Confident | 88.5 | Confident | 216 Ų | 216 | 59.1 Ų | 59.1 | 82% | 0.815 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 39.7 | -179 | -61.2 | -174.4 | 174.5 | -161.4 | -2.8 | 114.1 | A319 E320 H321 | A319-R323 WeakPolarHBondContact O-CA 3.41Å; A319-R323 PolarHBondContact O-N 2.83Å; E320-R323 WeakPolarHBondContact O-CG 3.44Å; E320-R323 PolarHBondContact O-N 2.9Å; H321-R323 VanDerWaalsContact C-N 3.28Å; H321-R323 PolarHBondContact O-N 2.93Å |
| 324 | L | 87.2 | Confident | 88.6 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | trans | -68.2 | -37.9 | -175 | -66.3 | 168.2 | 0 | 0 | 0 | 112 | V282 V284 L291 A319 E322 | V282-L324 HydrophobicContact CG1-CB 3.89Å; V282-L324 HydrophobicContact CG1-CD2 4.02Å; V282-L324 WeakPolarHBondContact CG1-O 3.23Å; V284-L324 HydrophobicContact CB-CD1 4.34Å; V284-L324 HydrophobicContact CG1-CD1 3.9Å; V284-L324 HydrophobicContact CG2-CD1 3.77Å; V284-L324 HydrophobicContact CG2-CD2 4.21Å; V284-L324 HydrophobicContact CG2-CG 4.41Å; L291-L324 HydrophobicContact CD1-CD1 3.99Å; A319-L324 PolarHBondContact O-N 2.8Å; E322-L324 HydrophobicContact CB-CD1 4.02Å; E322-L324 HydrophobicContact CB-CD2 4.22Å; E322-L324 HydrophobicContact CB-CG 3.74Å; E322-L324 PolarHBondContact O-N 2.95Å; E322-L324 WeakPolarHBondContact OE2-CD1 3.29Å | ||
| 325 | F | 92.3 | Very high | 88.7 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | trans | -130.9 | 161 | -176 | -55.5 | -90.2 | 0 | 0 | 0 | 111.2 | V282 V284 L291 I293 V310 L313 A319 I331 F362 V364 | V282-F325 HydrophobicContact CG1-CZ 4.31Å; V284-F325 HydrophobicContact CG2-CE2 4.33Å; V284-F325 HydrophobicContact CG2-CZ 4.42Å; L291-F325 HydrophobicContact CD1-CE2 4.47Å; L291-F325 HydrophobicContact CD2-CE2 4.13Å; I293-F325 HydrophobicContact CD1-CE2 4.35Å; I293-F325 HydrophobicContact CD1-CZ 4.39Å; I293-F325 HydrophobicContact CG2-CD2 4.03Å; I293-F325 HydrophobicContact CG2-CE2 4.4Å; V310-F325 HydrophobicContact CG1-CB 4.44Å; V310-F325 HydrophobicContact CG2-CB 4.42Å; V310-F325 HydrophobicContact CG2-CD1 4.08Å; V310-F325 HydrophobicContact CG2-CG 4.43Å; L313-F325 HydrophobicContact CD2-CB 4.15Å; A319-F325 HydrophobicContact CB-CD2 3.82Å; A319-F325 HydrophobicContact CB-CE2 4.42Å; F325-I331 HydrophobicContact CE1-CD1 3.9Å; F325-I331 HydrophobicContact CE1-CG1 4.05Å; F325-I331 HydrophobicContact CZ-CD1 4.48Å; F325-F362 HydrophobicContact CE1-CB 4.11Å; F325-F362 HydrophobicContact CE1-CD2 4.38Å; F325-F362 HydrophobicContact CE1-CG 4.12Å; F325-F362 HydrophobicContact CZ-CB 4.18Å; F325-F362 HydrophobicContact CZ-CD1 4.33Å; F325-F362 AromaticContact CZ-CD2 3.61Å; F325-F362 HydrophobicContact CZ-CD2 3.61Å; F325-F362 AromaticContact CZ-CE2 3.97Å; F325-F362 HydrophobicContact CZ-CE2 3.97Å; F325-F362 AromaticContact CZ-CG 3.78Å; F325-F362 HydrophobicContact CZ-CG 3.78Å; F325-F362 HydrophobicContact CZ-CZ 4.48Å; F325-V364 HydrophobicContact CD1-CG1 4.49Å; F325-V364 HydrophobicContact CD1-CG2 4.16Å; F325-V364 HydrophobicContact CE1-CG2 3.8Å | ||
| 326 | Q | 89.6 | Confident | 88.8 | Confident | 129 Ų | 129 | 60 Ų | 60 | 60% | 0.603 | 30% | 0.295 | S | S | * | . | trans | -117 | 156.5 | 168 | -167.7 | 169.1 | 20.2 | 0 | 0 | 110.7 | N328 D329 | Q326-N328 PolarHBondContact O-N 2.78Å; Q326-D329 PolarHBondContact N-OD2 3.46Å; Q326-D329 VanDerWaalsContact O-CB 3.29Å; Q326-D329 WeakPolarHBondContact O-CB 3.23Å; Q326-D329 PolarHBondContact O-N 2.98Å; Q326-D329 VanDerWaalsContact O-N 3.15Å | ||
| 327 | E | 90.2 | Very high | 89.3 | Confident | 94 Ų | 94 | 57.9 Ų | 57.9 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 136.3 | 169.6 | -60.9 | -159.2 | 149.9 | 0 | 0 | 110.9 | R312 D329 | R312-E327 VanDerWaalsContact CA-OE1 3.23Å; R312-E327 WeakPolarHBondContact CA-OE1 3.35Å; R312-E327 WeakPolarHBondContact CB-OE1 3.47Å; R312-E327 WeakPolarHBondContact CG-OE1 3.43Å; E327-D329 VanDerWaalsContact C-N 3.33Å |
| 328 | N | 89.4 | Confident | 89.6 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 6.9 | -171.3 | -58.7 | -88.7 | 0 | 0 | 0 | 116.8 | L309 V310 Q326 A367 K370 | L309-N328 HydrophobicContact CD1-CB 4.46Å; L309-N328 VanDerWaalsContact CD1-O 3.31Å; L309-N328 WeakPolarHBondContact CD1-O 3.31Å; V310-N328 WeakPolarHBondContact O-CA 3.44Å; V310-N328 PolarHBondContact O-N 2.89Å; Q326-N328 PolarHBondContact O-N 2.78Å; N328-A367 HydrophobicContact CB-CB 4.04Å; N328-K370 HydrophobicContact CB-CD 4.48Å; N328-K370 PolarHBondContact OD1-NZ 3.11Å |
| 329 | D | 94.1 | Very high | 89.8 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | trans | -60.8 | 143.6 | 163 | -82.4 | -5.8 | 0 | 0 | 0 | 111 | V310 Q326 E327 V364 P366 A367 | V310-D329 HydrophobicContact CB-CB 4.35Å; V310-D329 HydrophobicContact CG2-CB 4.24Å; V310-D329 PolarHBondContact N-O 3.49Å; Q326-D329 PolarHBondContact N-OD2 3.46Å; Q326-D329 VanDerWaalsContact O-CB 3.29Å; Q326-D329 WeakPolarHBondContact O-CB 3.23Å; Q326-D329 PolarHBondContact O-N 2.98Å; Q326-D329 VanDerWaalsContact O-N 3.15Å; E327-D329 VanDerWaalsContact C-N 3.33Å; D329-V364 HydrophobicContact CB-CG1 3.61Å; D329-P366 WeakPolarHBondContact OD1-CA 3.48Å; D329-A367 PolarHBondContact OD1-N 2.66Å | ||
| 330 | C | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 109.9 | 178.9 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | L308 L309 V364 V365 | L308-C330 CarbonylContact O-C 3.51Å; L309-C330 HydrophobicContact CD1-CB 4.3Å; C330-V364 WeakPolarHBondContact O-CA 3.19Å; C330-V365 HydrophobicContact CB-CB 4.24Å; C330-V365 PolarHBondContact N-O 2.66Å; C330-V365 PolarHBondContact O-N 3.34Å |
| 331 | I | 94.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 125.6 | 173.5 | -56.7 | 171.5 | 0 | 0 | 0 | 108.4 | I293 V295 G307 L308 V310 F325 I334 I339 F362 V364 | I293-I331 HydrophobicContact CD1-CD1 4.21Å; V295-I331 HydrophobicContact CG1-CD1 4.14Å; G307-I331 CarbonylContact C-O 3.58Å; G307-I331 VanDerWaalsContact CA-O 3.31Å; G307-I331 WeakPolarHBondContact CA-O 3.42Å; L308-I331 HydrophobicContact CB-CB 4.33Å; L308-I331 PolarHBondContact N-O 2.84Å; L308-I331 PolarHBondContact O-N 2.87Å; V310-I331 HydrophobicContact CG2-CD1 4.06Å; V310-I331 HydrophobicContact CG2-CG1 4.21Å; F325-I331 HydrophobicContact CE1-CD1 3.9Å; F325-I331 HydrophobicContact CE1-CG1 4.05Å; F325-I331 HydrophobicContact CZ-CD1 4.48Å; I331-I334 HydrophobicContact CG2-CG1 3.96Å; I331-I339 HydrophobicContact CG2-CD1 3.96Å; I331-F362 HydrophobicContact CD1-CD1 3.97Å; I331-F362 HydrophobicContact CD1-CE1 4.27Å; I331-F362 HydrophobicContact CG1-CD1 4.47Å; I331-F362 HydrophobicContact CG2-CD1 3.8Å; I331-V364 HydrophobicContact CG1-CG2 4.32Å |
| 332 | V | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -18.7 | -179.3 | -56.9 | 0 | 0 | 0 | 0 | 113.6 | L279 I339 R340 H363 V365 Y373 | L279-V332 HydrophobicContact CD1-CG2 3.76Å; L279-V332 HydrophobicContact CD2-CG2 3.55Å; L279-V332 HydrophobicContact CG-CG2 4.3Å; V332-I339 VanDerWaalsContact C-CG1 3.49Å; V332-I339 VanDerWaalsContact O-CG1 3.27Å; V332-I339 WeakPolarHBondContact O-CG1 3.48Å; V332-I339 PolarHBondContact O-N 3.38Å; V332-R340 HydrophobicContact CB-CG 4.01Å; V332-H363 HydrophobicContact CG2-CB 4.34Å; V332-H363 PolarHBondContact N-O 2.82Å; V332-V365 HydrophobicContact CG1-CG2 3.85Å; V332-Y373 HydrophobicContact CG1-CE1 4.18Å; V332-Y373 HydrophobicContact CG1-CE2 4.02Å; V332-Y373 VanDerWaalsContact CG1-OH 3.26Å; V332-Y373 WeakPolarHBondContact CG1-OH 3.49Å |
| 333 | R | 93.4 | Very high | 90 | Very high | 38 Ų | 38 | 57.9 Ų | 57.9 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 142.5 | 179.6 | -161.2 | -177.2 | -59.7 | 146 | 2.9 | 109.5 | E276 G337 H363 | E276-R333 VanDerWaalsContact CD-NH2 3.29Å; E276-R333 IonicContact OE1-CZ 2.66Å; E276-R333 VanDerWaalsContact OE1-CZ 3.3Å; E276-R333 IonicContact OE1-NH1 3.77Å; E276-R333 PolarHBondContact OE1-NH1 3.38Å; E276-R333 IonicContact OE1-NH2 3.19Å; E276-R333 PolarHBondContact OE1-NH2 3.46Å; E276-R333 IonicContact OE2-CZ 3.24Å; E276-R333 IonicContact OE2-NH1 2.66Å; E276-R333 IonicContact OE2-NH2 3.25Å; E276-R333 PolarHBondContact OE2-NH2 3.03Å; R333-G337 CarbonylContact C-O 3.5Å; R333-G337 WeakPolarHBondContact CA-O 3.39Å; R333-G337 WeakPolarHBondContact CG-O 3.47Å; R333-H363 HydrophobicContact CB-CB 3.81Å; R333-H363 PolarHBondContact NH1-CD2 3.24Å; R333-H363 PolarHBondContact NH1-NE2 3.39Å; R333-H363 VanDerWaalsContact NH1-NE2 3.13Å; R333-H363 PolarHBondContact O-N 3.29Å |
| 334 | I | 93.3 | Very high | 90 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 118.2 | 174.7 | -47.7 | 177 | 0 | 0 | 0 | 107.9 | I331 Q336 G337 I339 I350 F351 A354 I360 F362 | I331-I334 HydrophobicContact CG2-CG1 3.96Å; I334-Q336 PolarHBondContact O-N 3.48Å; I334-Q336 VanDerWaalsContact O-N 3.11Å; I334-G337 PolarHBondContact N-O 2.89Å; I334-G337 WeakPolarHBondContact O-CA 3.33Å; I334-G337 PolarHBondContact O-N 3.22Å; I334-I339 HydrophobicContact CD1-CD1 4.07Å; I334-I339 HydrophobicContact CD1-CG2 4.33Å; I334-I339 HydrophobicContact CG1-CD1 4.1Å; I334-I339 HydrophobicContact CG1-CG2 4.33Å; I334-I350 HydrophobicContact CB-CG2 4.11Å; I334-I350 HydrophobicContact CD1-CG2 4.49Å; I334-F351 HydrophobicContact CD1-CB 4.02Å; I334-F351 HydrophobicContact CD1-CD2 3.64Å; I334-F351 HydrophobicContact CD1-CG 4.21Å; I334-A354 HydrophobicContact CG2-CB 3.51Å; I334-I360 HydrophobicContact CG2-CG2 3.73Å; I334-F362 HydrophobicContact CB-CD1 4.49Å; I334-F362 HydrophobicContact CD1-CD1 4.49Å; I334-F362 HydrophobicContact CD1-CE1 4.17Å; I334-F362 HydrophobicContact CG1-CD1 3.97Å; I334-F362 HydrophobicContact CG1-CE1 4.1Å; I334-F362 HydrophobicContact CG2-CD1 4.1Å; I334-F362 HydrophobicContact CG2-CE1 3.88Å |
| 335 | N | 90.4 | Very high | 90.1 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -112.9 | -166.9 | -62.2 | -10.1 | 0 | 0 | 0 | 110 | I360 L361 | N335-I360 WeakPolarHBondContact OD1-CA 3.4Å; N335-L361 PolarHBondContact N-O 3.25Å; N335-L361 PolarHBondContact OD1-N 2.9Å |
| 336 | Q | 85.1 | Confident | 89.9 | Confident | 195 Ų | 195 | 58.2 Ų | 58.2 | 91% | 0.911 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -6.6 | 176.2 | -59.2 | 177.6 | 15.3 | 0 | 0 | 112.9 | I334 D338 | I334-Q336 PolarHBondContact O-N 3.48Å; I334-Q336 VanDerWaalsContact O-N 3.11Å; Q336-D338 PolarHBondContact O-N 3.44Å |
| 337 | G | 86.4 | Confident | 90 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 105.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R333 I334 I339 | R333-G337 CarbonylContact C-O 3.5Å; R333-G337 WeakPolarHBondContact CA-O 3.39Å; R333-G337 WeakPolarHBondContact CG-O 3.47Å; I334-G337 PolarHBondContact N-O 2.89Å; I334-G337 WeakPolarHBondContact O-CA 3.33Å; I334-G337 PolarHBondContact O-N 3.22Å; G337-I339 PolarHBondContact O-N 3.3Å |
| 338 | D | 90.5 | Very high | 89.9 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 34% | 0.342 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 124.6 | 163.1 | -162.6 | -22.8 | 0 | 0 | 0 | 108.7 | Q336 R340 | Q336-D338 PolarHBondContact O-N 3.44Å; D338-R340 VanDerWaalsContact OD1-CB 3.26Å; D338-R340 WeakPolarHBondContact OD1-CB 3.22Å; D338-R340 VanDerWaalsContact OD1-CG 3.3Å; D338-R340 WeakPolarHBondContact OD1-CG 3.27Å; D338-R340 IonicContact OD1-CZ 3.96Å; D338-R340 PolarHBondContact OD1-N 3.09Å; D338-R340 IonicContact OD1-NE 2.68Å; D338-R340 PolarHBondContact OD1-NE 3.15Å; D338-R340 IonicContact OD1-NH2 2.7Å; D338-R340 IonicContact OD2-CZ 3.3Å; D338-R340 IonicContact OD2-NE 3.91Å; D338-R340 PolarHBondContact OD2-NE 2.85Å; D338-R340 IonicContact OD2-NH2 2.98Å; D338-R340 PolarHBondContact OD2-NH2 2.92Å |
| 339 | I | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -105 | 3.3 | -179.5 | 61.9 | 170.4 | 0 | 0 | 0 | 112.6 | T305 L308 I331 V332 I334 G337 L342 A347 I350 | T305-I339 PolarHBondContact OG1-O 2.92Å; L308-I339 HydrophobicContact CB-CD1 4.14Å; L308-I339 HydrophobicContact CD1-CD1 3.68Å; L308-I339 HydrophobicContact CG-CD1 3.72Å; I331-I339 HydrophobicContact CG2-CD1 3.96Å; V332-I339 VanDerWaalsContact C-CG1 3.49Å; V332-I339 VanDerWaalsContact O-CG1 3.27Å; V332-I339 WeakPolarHBondContact O-CG1 3.48Å; V332-I339 PolarHBondContact O-N 3.38Å; I334-I339 HydrophobicContact CD1-CD1 4.07Å; I334-I339 HydrophobicContact CD1-CG2 4.33Å; I334-I339 HydrophobicContact CG1-CD1 4.1Å; I334-I339 HydrophobicContact CG1-CG2 4.33Å; G337-I339 PolarHBondContact O-N 3.3Å; I339-L342 HydrophobicContact CG2-CD1 4.47Å; I339-A347 HydrophobicContact CB-CB 4.08Å; I339-A347 HydrophobicContact CG2-CB 4.2Å; I339-I350 HydrophobicContact CG2-CB 4.29Å; I339-I350 HydrophobicContact CG2-CD1 3.94Å; I339-I350 HydrophobicContact CG2-CG2 4.06Å | ||
| 340 | R | 88.9 | Confident | 89.9 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 143.3 | 171 | -59.8 | 175.7 | -67.5 | -178.6 | 3.5 | 110.5 | T305 V332 D338 L342 Y373 | T305-R340 CarbonylContact O-C 3.54Å; T305-R340 WeakPolarHBondContact O-CA 3.34Å; V332-R340 HydrophobicContact CB-CG 4.01Å; D338-R340 VanDerWaalsContact OD1-CB 3.26Å; D338-R340 WeakPolarHBondContact OD1-CB 3.22Å; D338-R340 VanDerWaalsContact OD1-CG 3.3Å; D338-R340 WeakPolarHBondContact OD1-CG 3.27Å; D338-R340 IonicContact OD1-CZ 3.96Å; D338-R340 PolarHBondContact OD1-N 3.09Å; D338-R340 IonicContact OD1-NE 2.68Å; D338-R340 PolarHBondContact OD1-NE 3.15Å; D338-R340 IonicContact OD1-NH2 2.7Å; D338-R340 IonicContact OD2-CZ 3.3Å; D338-R340 IonicContact OD2-NE 3.91Å; D338-R340 PolarHBondContact OD2-NE 2.85Å; D338-R340 IonicContact OD2-NH2 2.98Å; D338-R340 PolarHBondContact OD2-NH2 2.92Å; R340-L342 PolarHBondContact O-N 3.39Å; R340-Y373 VanDerWaalsContact CD-OH 3.28Å; R340-Y373 WeakPolarHBondContact CD-OH 3.49Å |
| 341 | N | 85.2 | Confident | 89.7 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 32% | 0.316 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 16.1 | -179.9 | -68.5 | -15.3 | 0 | 0 | 0 | 116.3 | R304 T305 E381 | R304-N341 HydrophobicContact CB-CB 4.49Å; T305-N341 PolarHBondContact O-N 3.33Å; N341-E381 PolarHBondContact ND2-OE1 3.07Å |
| 342 | L | 87.8 | Confident | 89.5 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 172.5 | 166.1 | -59.3 | -169.6 | 0 | 0 | 0 | 111.4 | T305 I339 R340 Q346 I350 | T305-L342 PolarHBondContact N-O 3.05Å; T305-L342 PolarHBondContact OG1-O 2.92Å; T305-L342 VanDerWaalsContact OG1-O 3.12Å; I339-L342 HydrophobicContact CG2-CD1 4.47Å; R340-L342 PolarHBondContact O-N 3.39Å; L342-Q346 HydrophobicContact CB-CB 4.27Å; L342-Q346 HydrophobicContact CD1-CB 4.34Å; L342-I350 HydrophobicContact CD1-CD1 3.45Å; L342-I350 VanDerWaalsContact CD1-CD1 3.45Å |
| 343 | R | 86.6 | Confident | 89.3 | Confident | 136 Ų | 136 | 65.5 Ų | 65.5 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | trans | -86.9 | 150.3 | 164.2 | -57.2 | -177.7 | -61.2 | 146.9 | 13.9 | 109.8 | E345 Q346 A347 | R343-E345 VanDerWaalsContact C-N 3.27Å; R343-E345 IonicContact CZ-OE2 3.04Å; R343-E345 IonicContact NH2-OE2 2.67Å; R343-E345 PolarHBondContact NH2-OE2 3.45Å; R343-E345 PolarHBondContact O-N 3.48Å; R343-E345 VanDerWaalsContact O-N 3.15Å; R343-Q346 VanDerWaalsContact CB-OE1 3.31Å; R343-Q346 VanDerWaalsContact NE-OE1 3.13Å; R343-Q346 WeakPolarHBondContact O-CA 3.15Å; R343-Q346 WeakPolarHBondContact O-CB 3.35Å; R343-Q346 PolarHBondContact O-N 3.19Å; R343-A347 PolarHBondContact O-N 3.19Å; R343-A347 VanDerWaalsContact O-N 3.09Å | ||
| 344 | F | 88.5 | Confident | 89.1 | Confident | 76 Ų | 76 | 63.9 Ų | 63.9 | 33% | 0.333 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -50.4 | -41.6 | -178.9 | -176.4 | -114.8 | 0 | 0 | 0 | 114 | L308 Q346 A347 Q348 | L308-F344 HydrophobicContact CD2-CD2 3.55Å; L308-F344 HydrophobicContact CD2-CE2 3.56Å; F344-Q346 VanDerWaalsContact C-N 3.33Å; F344-Q346 PolarHBondContact O-N 2.73Å; F344-A347 PolarHBondContact O-N 2.98Å; F344-Q348 HydrophobicContact CE1-CG 4.37Å; F344-Q348 HydrophobicContact CZ-CG 4.46Å; F344-Q348 WeakPolarHBondContact O-CG 3.39Å; F344-Q348 PolarHBondContact O-N 3Å |
| 345 | E | 88.8 | Confident | 88.7 | Confident | 106 Ų | 106 | 66.8 Ų | 66.8 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 174.3 | -178.1 | -171.1 | -152.2 | 0 | 0 | 113.2 | R343 Q348 N349 | R343-E345 VanDerWaalsContact C-N 3.27Å; R343-E345 IonicContact CZ-OE2 3.04Å; R343-E345 IonicContact NH2-OE2 2.67Å; R343-E345 PolarHBondContact NH2-OE2 3.45Å; R343-E345 PolarHBondContact O-N 3.48Å; R343-E345 VanDerWaalsContact O-N 3.15Å; E345-Q348 PolarHBondContact O-N 2.8Å; E345-N349 VanDerWaalsContact O-CG 3.24Å; E345-N349 PolarHBondContact O-N 3.46Å; E345-N349 PolarHBondContact O-ND2 2.99Å |
| 346 | Q | 88.5 | Confident | 88.5 | Confident | 75 Ų | 75 | 74 Ų | 74 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -73.7 | -38.8 | 179 | -63.3 | 169.7 | -84.4 | 0 | 0 | 110.9 | L342 R343 F344 Q348 N349 I350 | L342-Q346 HydrophobicContact CB-CB 4.27Å; L342-Q346 HydrophobicContact CD1-CB 4.34Å; R343-Q346 VanDerWaalsContact CB-OE1 3.31Å; R343-Q346 VanDerWaalsContact NE-OE1 3.13Å; R343-Q346 WeakPolarHBondContact O-CA 3.15Å; R343-Q346 WeakPolarHBondContact O-CB 3.35Å; R343-Q346 PolarHBondContact O-N 3.19Å; F344-Q346 VanDerWaalsContact C-N 3.33Å; F344-Q346 PolarHBondContact O-N 2.73Å; Q346-Q348 VanDerWaalsContact C-N 3.35Å; Q346-N349 WeakPolarHBondContact O-CB 3.45Å; Q346-N349 PolarHBondContact O-N 3.17Å; Q346-I350 PolarHBondContact O-N 2.85Å |
| 347 | A | 89.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L308 I339 R343 F344 N349 I350 F351 | L308-A347 HydrophobicContact CD1-CB 4.14Å; L308-A347 HydrophobicContact CD2-CB 4.46Å; L308-A347 HydrophobicContact CG-CB 4.38Å; I339-A347 HydrophobicContact CB-CB 4.08Å; I339-A347 HydrophobicContact CG2-CB 4.2Å; R343-A347 PolarHBondContact O-N 3.19Å; R343-A347 VanDerWaalsContact O-N 3.09Å; F344-A347 PolarHBondContact O-N 2.98Å; A347-N349 VanDerWaalsContact C-N 3.35Å; A347-N349 PolarHBondContact O-N 3.39Å; A347-I350 PolarHBondContact O-N 2.85Å; A347-F351 PolarHBondContact O-N 2.97Å |
| 348 | Q | 89.6 | Confident | 88.6 | Confident | 73 Ų | 73 | 70 Ų | 70 | 34% | 0.341 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 171.3 | -72.5 | -170.4 | -1.1 | 0 | 0 | 113 | F344 E345 Q346 I350 F351 R352 | F344-Q348 HydrophobicContact CE1-CG 4.37Å; F344-Q348 HydrophobicContact CZ-CG 4.46Å; F344-Q348 WeakPolarHBondContact O-CG 3.39Å; F344-Q348 PolarHBondContact O-N 3Å; E345-Q348 PolarHBondContact O-N 2.8Å; Q346-Q348 VanDerWaalsContact C-N 3.35Å; Q348-I350 VanDerWaalsContact C-N 3.35Å; Q348-F351 PolarHBondContact O-N 2.89Å; Q348-R352 WeakPolarHBondContact O-CB 3.44Å; Q348-R352 WeakPolarHBondContact O-CG 3.41Å; Q348-R352 PolarHBondContact O-N 3.49Å |
| 349 | N | 90.6 | Very high | 88.5 | Confident | 66 Ų | 66 | 69.9 Ų | 69.9 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.3 | -71.4 | -20.3 | 0 | 0 | 0 | 111.2 | E345 Q346 A347 R352 Q353 | E345-N349 VanDerWaalsContact O-CG 3.24Å; E345-N349 PolarHBondContact O-N 3.46Å; E345-N349 PolarHBondContact O-ND2 2.99Å; Q346-N349 WeakPolarHBondContact O-CB 3.45Å; Q346-N349 PolarHBondContact O-N 3.17Å; A347-N349 VanDerWaalsContact C-N 3.35Å; A347-N349 PolarHBondContact O-N 3.39Å; N349-R352 PolarHBondContact O-N 2.85Å; N349-R352 PolarHBondContact OD1-NH1 2.83Å; N349-Q353 WeakPolarHBondContact O-CG 3.39Å; N349-Q353 PolarHBondContact O-N 3.13Å |
| 350 | I | 91.9 | Very high | 88.6 | Confident | 35 Ų | 35 | 70 Ų | 70 | 18% | 0.179 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 173.7 | -68.3 | 165.2 | 0 | 0 | 0 | 110.7 | I334 I339 L342 Q346 A347 Q348 R352 Q353 A354 | I334-I350 HydrophobicContact CB-CG2 4.11Å; I334-I350 HydrophobicContact CD1-CG2 4.49Å; I339-I350 HydrophobicContact CG2-CB 4.29Å; I339-I350 HydrophobicContact CG2-CD1 3.94Å; I339-I350 HydrophobicContact CG2-CG2 4.06Å; L342-I350 HydrophobicContact CD1-CD1 3.45Å; L342-I350 VanDerWaalsContact CD1-CD1 3.45Å; Q346-I350 PolarHBondContact O-N 2.85Å; A347-I350 PolarHBondContact O-N 2.85Å; Q348-I350 VanDerWaalsContact C-N 3.35Å; I350-R352 PolarHBondContact O-N 2.82Å; I350-Q353 WeakPolarHBondContact O-CB 3.4Å; I350-Q353 PolarHBondContact O-N 2.92Å; I350-Q353 VanDerWaalsContact O-N 3.09Å; I350-A354 PolarHBondContact O-N 2.84Å |
| 351 | F | 90.4 | Very high | 88.8 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 174 | -161 | -70.4 | 0 | 0 | 0 | 111.2 | L291 I293 I334 A347 Q348 Q353 A354 M355 F362 | L291-F351 HydrophobicContact CD2-CZ 4.37Å; I293-F351 HydrophobicContact CD1-CE2 4.06Å; I293-F351 HydrophobicContact CD1-CZ 4.04Å; I293-F351 HydrophobicContact CG1-CZ 4.42Å; I334-F351 HydrophobicContact CD1-CB 4.02Å; I334-F351 HydrophobicContact CD1-CD2 3.64Å; I334-F351 HydrophobicContact CD1-CG 4.21Å; A347-F351 PolarHBondContact O-N 2.97Å; Q348-F351 PolarHBondContact O-N 2.89Å; F351-Q353 PolarHBondContact O-N 3.05Å; F351-A354 WeakPolarHBondContact O-CB 3.43Å; F351-A354 PolarHBondContact O-N 2.86Å; F351-A354 VanDerWaalsContact O-N 3.13Å; F351-M355 HydrophobicContact CD1-CG 3.8Å; F351-M355 HydrophobicContact CD1-SD 4.35Å; F351-M355 HydrophobicContact CE1-CG 3.8Å; F351-M355 HydrophobicContact CE1-SD 3.76Å; F351-M355 WeakPolarHBondContact O-CG 3.48Å; F351-M355 PolarHBondContact O-N 3.19Å; F351-F362 HydrophobicContact CD2-CE1 4.15Å; F351-F362 AromaticContact CE2-CE1 3.65Å; F351-F362 HydrophobicContact CE2-CE1 3.65Å; F351-F362 AromaticContact CE2-CZ 3.93Å; F351-F362 HydrophobicContact CE2-CZ 3.93Å; F351-F362 HydrophobicContact CZ-CE1 4.27Å; F351-F362 HydrophobicContact CZ-CZ 4.08Å |
| 352 | R | 89.2 | Confident | 89.2 | Confident | 122 Ų | 122 | 67.1 Ų | 67.1 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.6 | -16.5 | 176.6 | -71 | -172.5 | -111 | 103.4 | -1.1 | 113.8 | Q348 N349 I350 R356 | Q348-R352 WeakPolarHBondContact O-CB 3.44Å; Q348-R352 WeakPolarHBondContact O-CG 3.41Å; Q348-R352 PolarHBondContact O-N 3.49Å; N349-R352 PolarHBondContact O-N 2.85Å; N349-R352 PolarHBondContact OD1-NH1 2.83Å; I350-R352 PolarHBondContact O-N 2.82Å; R352-R356 PolarHBondContact O-NH1 3.47Å |
| 353 | Q | 88.8 | Confident | 89.5 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 58% | 0.579 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -81.8 | -41.9 | 168.5 | -76 | 171.8 | -7.8 | 0 | 0 | 111.2 | N349 I350 F351 M355 R356 | N349-Q353 WeakPolarHBondContact O-CG 3.39Å; N349-Q353 PolarHBondContact O-N 3.13Å; I350-Q353 WeakPolarHBondContact O-CB 3.4Å; I350-Q353 PolarHBondContact O-N 2.92Å; I350-Q353 VanDerWaalsContact O-N 3.09Å; F351-Q353 PolarHBondContact O-N 3.05Å; Q353-M355 VanDerWaalsContact C-N 3.32Å; Q353-M355 PolarHBondContact O-N 2.73Å; Q353-R356 WeakPolarHBondContact O-CB 3.35Å; Q353-R356 PolarHBondContact O-N 2.71Å |
| 354 | A | 89.1 | Confident | 89.9 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.033 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I334 I350 F351 R356 C357 I360 | I334-A354 HydrophobicContact CG2-CB 3.51Å; I350-A354 PolarHBondContact O-N 2.84Å; F351-A354 WeakPolarHBondContact O-CB 3.43Å; F351-A354 PolarHBondContact O-N 2.86Å; F351-A354 VanDerWaalsContact O-N 3.13Å; A354-R356 PolarHBondContact O-N 2.95Å; A354-C357 WeakPolarHBondContact O-CB 3.46Å; A354-C357 PolarHBondContact O-N 3.35Å; A354-I360 HydrophobicContact CB-CD1 4.2Å; A354-I360 HydrophobicContact CB-CG1 4.2Å; A354-I360 HydrophobicContact CB-CG2 3.84Å; A354-I360 WeakPolarHBondContact O-CG1 3.39Å |
| 355 | M | 85.9 | Confident | 90.1 | Very high | 62 Ų | 62 | 56.3 Ų | 56.3 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 7.1 | 171.3 | -62.2 | -61.9 | -62.2 | 0 | 0 | 114.8 | N286 F351 Q353 I360 | N286-M355 VanDerWaalsContact ND2-C 3.31Å; N286-M355 PolarHBondContact ND2-O 3.17Å; N286-M355 WeakPolarHBondContact OD1-CE 3.12Å; F351-M355 HydrophobicContact CD1-CG 3.8Å; F351-M355 HydrophobicContact CD1-SD 4.35Å; F351-M355 HydrophobicContact CE1-CG 3.8Å; F351-M355 HydrophobicContact CE1-SD 3.76Å; F351-M355 WeakPolarHBondContact O-CG 3.48Å; F351-M355 PolarHBondContact O-N 3.19Å; Q353-M355 VanDerWaalsContact C-N 3.32Å; Q353-M355 PolarHBondContact O-N 2.73Å; M355-I360 HydrophobicContact CG-CD1 4.4Å; M355-I360 HydrophobicContact SD-CD1 3.54Å; M355-I360 VanDerWaalsContact SD-CD1 3.54Å |
| 356 | R | 85.9 | Confident | 90.3 | Very high | 195 Ų | 195 | 52.6 Ų | 52.6 | 74% | 0.736 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -5.5 | 167.3 | -62.7 | -175.4 | 173.7 | 86.9 | -11.4 | 113.7 | R352 Q353 A354 | R352-R356 PolarHBondContact O-NH1 3.47Å; Q353-R356 WeakPolarHBondContact O-CB 3.35Å; Q353-R356 PolarHBondContact O-N 2.71Å; A354-R356 PolarHBondContact O-N 2.95Å |
| 357 | C | 86.4 | Confident | 90.3 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 32% | 0.324 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -88.4 | 149.2 | 171.4 | -59.5 | 0 | 0 | 0 | 0 | 109.1 | N286 A354 V359 | N286-C357 WeakPolarHBondContact CB-O 3.28Å; N286-C357 PolarHBondContact ND2-O 3Å; A354-C357 WeakPolarHBondContact O-CB 3.46Å; A354-C357 PolarHBondContact O-N 3.35Å; C357-V359 WeakPolarHBondContact CB-O 3.45Å; C357-V359 PolarHBondContact O-N 2.75Å |
| 358 | P | 86.4 | Confident | 90.3 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -70.4 | -18.5 | 174.5 | 29.6 | -35.5 | 0 | 0 | 0 | 112.6 | N286 | N286-P358 PolarHBondContact N-O 2.98Š|
| 359 | V | 89.6 | Confident | 90.2 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 140.2 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | E283 V284 C357 | E283-V359 HydrophobicContact CG-CG1 3.42Å; E283-V359 VanDerWaalsContact CG-CG1 3.42Å; E283-V359 WeakPolarHBondContact OE1-CG1 3.34Å; V284-V359 CarbonylContact O-C 3.52Å; V284-V359 WeakPolarHBondContact O-CA 3.35Å; C357-V359 WeakPolarHBondContact CB-O 3.45Å; C357-V359 PolarHBondContact O-N 2.75Å |
| 360 | I | 92.4 | Very high | 90 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.8 | 178 | -52 | 175.5 | 0 | 0 | 0 | 109 | V284 N286 I334 N335 A354 M355 F362 | V284-I360 HydrophobicContact CB-CB 4.5Å; V284-I360 PolarHBondContact N-O 2.9Å; V284-I360 PolarHBondContact O-N 2.78Å; N286-I360 HydrophobicContact CB-CD1 4.48Å; I334-I360 HydrophobicContact CG2-CG2 3.73Å; N335-I360 WeakPolarHBondContact OD1-CA 3.4Å; A354-I360 HydrophobicContact CB-CD1 4.2Å; A354-I360 HydrophobicContact CB-CG1 4.2Å; A354-I360 HydrophobicContact CB-CG2 3.84Å; A354-I360 WeakPolarHBondContact O-CG1 3.39Å; M355-I360 HydrophobicContact CG-CD1 4.4Å; M355-I360 HydrophobicContact SD-CD1 3.54Å; M355-I360 VanDerWaalsContact SD-CD1 3.54Å; I360-F362 HydrophobicContact CB-CD2 4.43Å; I360-F362 HydrophobicContact CB-CE2 3.86Å; I360-F362 HydrophobicContact CB-CZ 4.36Å; I360-F362 HydrophobicContact CG2-CD2 3.8Å; I360-F362 HydrophobicContact CG2-CE1 4.09Å; I360-F362 HydrophobicContact CG2-CE2 3.32Å; I360-F362 HydrophobicContact CG2-CG 4.4Å; I360-F362 HydrophobicContact CG2-CZ 3.49Å; I360-F362 VanDerWaalsContact CG2-CZ 3.49Å |
| 361 | L | 93.6 | Very high | 89.6 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 100.4 | 177.5 | 179.6 | 63.2 | 0 | 0 | 0 | 110 | P281 E283 N335 | P281-L361 HydrophobicContact CB-CD1 3.92Å; E283-L361 HydrophobicContact CB-CD1 4.35Å; N335-L361 PolarHBondContact N-O 3.25Å; N335-L361 PolarHBondContact OD1-N 2.9Å |
| 362 | F | 94.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 137.5 | 171.9 | -61.6 | -88.1 | 0 | 0 | 0 | 109.6 | P281 V282 V284 L291 F325 I331 I334 F351 I360 V364 | P281-F362 CarbonylContact C-O 3.5Å; P281-F362 WeakPolarHBondContact CA-O 3.36Å; V282-F362 HydrophobicContact CB-CB 4.41Å; V282-F362 PolarHBondContact N-O 3.09Å; V282-F362 PolarHBondContact O-N 3.46Å; V284-F362 HydrophobicContact CB-CD2 4.31Å; V284-F362 HydrophobicContact CB-CE2 4.08Å; V284-F362 HydrophobicContact CG2-CD2 3.67Å; V284-F362 HydrophobicContact CG2-CE2 3.8Å; L291-F362 HydrophobicContact CD2-CE2 3.81Å; L291-F362 HydrophobicContact CD2-CZ 3.8Å; F325-F362 HydrophobicContact CE1-CB 4.11Å; F325-F362 HydrophobicContact CE1-CD2 4.38Å; F325-F362 HydrophobicContact CE1-CG 4.12Å; F325-F362 HydrophobicContact CZ-CB 4.18Å; F325-F362 HydrophobicContact CZ-CD1 4.33Å; F325-F362 AromaticContact CZ-CD2 3.61Å; F325-F362 HydrophobicContact CZ-CD2 3.61Å; F325-F362 AromaticContact CZ-CE2 3.97Å; F325-F362 HydrophobicContact CZ-CE2 3.97Å; F325-F362 AromaticContact CZ-CG 3.78Å; F325-F362 HydrophobicContact CZ-CG 3.78Å; F325-F362 HydrophobicContact CZ-CZ 4.48Å; I331-F362 HydrophobicContact CD1-CD1 3.97Å; I331-F362 HydrophobicContact CD1-CE1 4.27Å; I331-F362 HydrophobicContact CG1-CD1 4.47Å; I331-F362 HydrophobicContact CG2-CD1 3.8Å; I334-F362 HydrophobicContact CB-CD1 4.49Å; I334-F362 HydrophobicContact CD1-CD1 4.49Å; I334-F362 HydrophobicContact CD1-CE1 4.17Å; I334-F362 HydrophobicContact CG1-CD1 3.97Å; I334-F362 HydrophobicContact CG1-CE1 4.1Å; I334-F362 HydrophobicContact CG2-CD1 4.1Å; I334-F362 HydrophobicContact CG2-CE1 3.88Å; F351-F362 HydrophobicContact CD2-CE1 4.15Å; F351-F362 AromaticContact CE2-CE1 3.65Å; F351-F362 HydrophobicContact CE2-CE1 3.65Å; F351-F362 AromaticContact CE2-CZ 3.93Å; F351-F362 HydrophobicContact CE2-CZ 3.93Å; F351-F362 HydrophobicContact CZ-CE1 4.27Å; F351-F362 HydrophobicContact CZ-CZ 4.08Å; I360-F362 HydrophobicContact CB-CD2 4.43Å; I360-F362 HydrophobicContact CB-CE2 3.86Å; I360-F362 HydrophobicContact CB-CZ 4.36Å; I360-F362 HydrophobicContact CG2-CD2 3.8Å; I360-F362 HydrophobicContact CG2-CE1 4.09Å; I360-F362 HydrophobicContact CG2-CE2 3.32Å; I360-F362 HydrophobicContact CG2-CG 4.4Å; I360-F362 HydrophobicContact CG2-CZ 3.49Å; I360-F362 VanDerWaalsContact CG2-CZ 3.49Å; F362-V364 HydrophobicContact CB-CG2 3.82Å |
| 363 | H | 93.9 | Very high | 89.2 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.3 | 164.1 | -56.1 | 54.5 | 0 | 0 | 0 | 107.7 | L279 V332 R333 | L279-H363 HydrophobicContact CB-CB 4.36Å; L279-H363 HydrophobicContact CD1-CB 4.17Å; V332-H363 HydrophobicContact CG2-CB 4.34Å; V332-H363 PolarHBondContact N-O 2.82Å; R333-H363 HydrophobicContact CB-CB 3.81Å; R333-H363 PolarHBondContact NH1-CD2 3.24Å; R333-H363 PolarHBondContact NH1-NE2 3.39Å; R333-H363 VanDerWaalsContact NH1-NE2 3.13Å; R333-H363 PolarHBondContact O-N 3.29Å |
| 364 | V | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127 | -163.9 | -170.8 | 0 | 0 | 0 | 0 | 109.2 | K280 V282 F325 D329 C330 I331 F362 P366 | K280-V364 PolarHBondContact N-O 3.1Å; K280-V364 PolarHBondContact O-N 3.46Å; V282-V364 HydrophobicContact CB-CG2 4.17Å; V282-V364 HydrophobicContact CG2-CB 4.31Å; V282-V364 HydrophobicContact CG2-CG2 3.79Å; F325-V364 HydrophobicContact CD1-CG1 4.49Å; F325-V364 HydrophobicContact CD1-CG2 4.16Å; F325-V364 HydrophobicContact CE1-CG2 3.8Å; D329-V364 HydrophobicContact CB-CG1 3.61Å; C330-V364 WeakPolarHBondContact O-CA 3.19Å; I331-V364 HydrophobicContact CG1-CG2 4.32Å; F362-V364 HydrophobicContact CB-CG2 3.82Å; V364-P366 WeakPolarHBondContact O-CD 3.35Å |
| 365 | V | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 118.6 | 164 | 178.1 | 0 | 0 | 0 | 0 | 107.1 | L279 C330 V332 M369 Y373 | L279-V365 HydrophobicContact CD2-CG2 3.51Å; C330-V365 HydrophobicContact CB-CB 4.24Å; C330-V365 PolarHBondContact N-O 2.66Å; C330-V365 PolarHBondContact O-N 3.34Å; V332-V365 HydrophobicContact CG1-CG2 3.85Å; V365-M369 HydrophobicContact CG1-CB 4.06Å; V365-Y373 HydrophobicContact CB-CG 4.36Å; V365-Y373 HydrophobicContact CG1-CD2 4.44Å; V365-Y373 HydrophobicContact CG1-CG 3.96Å; V365-Y373 HydrophobicContact CG2-CD1 4.17Å; V365-Y373 HydrophobicContact CG2-CD2 3.48Å; V365-Y373 VanDerWaalsContact CG2-CD2 3.48Å; V365-Y373 HydrophobicContact CG2-CE1 4.44Å; V365-Y373 HydrophobicContact CG2-CE2 3.81Å; V365-Y373 HydrophobicContact CG2-CG 3.69Å |
| 366 | P | 92.3 | Very high | 88.6 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | trans | -61.3 | 147.8 | 177.4 | -23.5 | 34.7 | 0 | 0 | 0 | 112.1 | M278 K280 D329 V364 S368 M369 K370 | M278-P366 WeakPolarHBondContact O-CD 3.2Å; K280-P366 HydrophobicContact CB-CG 4.24Å; D329-P366 WeakPolarHBondContact OD1-CA 3.48Å; V364-P366 WeakPolarHBondContact O-CD 3.35Å; P366-S368 PolarHBondContact O-N 3.09Å; P366-M369 HydrophobicContact CB-CG 4.47Å; P366-M369 HydrophobicContact CG-SD 4.32Å; P366-M369 WeakPolarHBondContact O-CA 3.36Å; P366-M369 PolarHBondContact O-N 3.07Å; P366-K370 PolarHBondContact O-N 3.36Å; P366-K370 VanDerWaalsContact O-N 3.15Å | ||
| 367 | A | 88.8 | Confident | 88.2 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -36.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N328 D329 M369 K370 | N328-A367 HydrophobicContact CB-CB 4.04Å; D329-A367 PolarHBondContact OD1-N 2.66Å; A367-M369 VanDerWaalsContact C-N 3.33Å; A367-M369 PolarHBondContact O-N 2.93Å; A367-K370 VanDerWaalsContact O-CB 3.29Å; A367-K370 WeakPolarHBondContact O-CB 3.49Å; A367-K370 PolarHBondContact O-N 3.42Å |
| 368 | S | 88.8 | Confident | 87.5 | Confident | 105 Ų | 105 | 51.1 Ų | 51.1 | 73% | 0.734 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.1 | 175.5 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | P366 | P366-S368 PolarHBondContact O-N 3.09Š|
| 369 | M | 87.4 | Confident | 86.4 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -9.1 | -179.1 | -56 | -170.2 | 83.3 | 0 | 0 | 112.7 | M278 V365 P366 A367 R371 Q372 Y373 | M278-M369 HydrophobicContact CB-CE 4.06Å; M278-M369 HydrophobicContact CB-SD 4.39Å; M278-M369 HydrophobicContact CE-CB 3.88Å; M278-M369 HydrophobicContact CE-CE 4.15Å; M278-M369 WeakPolarHBondContact CE-O 3.29Å; M278-M369 HydrophobicContact CG-CE 3.88Å; V365-M369 HydrophobicContact CG1-CB 4.06Å; P366-M369 HydrophobicContact CB-CG 4.47Å; P366-M369 HydrophobicContact CG-SD 4.32Å; P366-M369 WeakPolarHBondContact O-CA 3.36Å; P366-M369 PolarHBondContact O-N 3.07Å; A367-M369 VanDerWaalsContact C-N 3.33Å; A367-M369 PolarHBondContact O-N 2.93Å; M369-R371 VanDerWaalsContact C-N 3.32Å; M369-R371 PolarHBondContact O-N 2.91Å; M369-Q372 WeakPolarHBondContact O-CB 3.41Å; M369-Q372 PolarHBondContact O-N 3.09Å; M369-Y373 PolarHBondContact O-N 3.28Å |
| 370 | K | 86.8 | Confident | 84.9 | Confident | 42 Ų | 42 | 53 Ų | 53 | 18% | 0.183 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -49.5 | -44.2 | -177.4 | -178.8 | -177.3 | 173.5 | -175.8 | 0 | 114 | F298 L309 N328 P366 A367 Y373 E374 | F298-K370 HydrophobicContact CZ-CG 4.48Å; L309-K370 HydrophobicContact CD1-CD 4.06Å; N328-K370 HydrophobicContact CB-CD 4.48Å; N328-K370 PolarHBondContact OD1-NZ 3.11Å; P366-K370 PolarHBondContact O-N 3.36Å; P366-K370 VanDerWaalsContact O-N 3.15Å; A367-K370 VanDerWaalsContact O-CB 3.29Å; A367-K370 WeakPolarHBondContact O-CB 3.49Å; A367-K370 PolarHBondContact O-N 3.42Å; K370-Y373 PolarHBondContact O-N 3.05Å; K370-E374 PolarHBondContact O-N 2.66Å |
| 371 | R | 83.6 | Confident | 83.2 | Confident | 202 Ų | 202 | 57.7 Ų | 57.7 | 76% | 0.762 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -68.3 | -37.5 | -179 | -165.8 | 177.5 | -169.6 | 173.1 | 2.5 | 112.4 | M369 I375 | M369-R371 VanDerWaalsContact C-N 3.32Å; M369-R371 PolarHBondContact O-N 2.91Å; R371-I375 WeakPolarHBondContact O-CD1 3.43Å; R371-I375 VanDerWaalsContact O-CG1 3.31Å; R371-I375 WeakPolarHBondContact O-CG1 3.29Å; R371-I375 PolarHBondContact O-N 3.38Å |
| 372 | Q | 84.7 | Confident | 81.1 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 172.4 | -68.7 | 172.4 | -21.6 | 0 | 0 | 110.6 | M278 M369 I375 L376 | M278-Q372 HydrophobicContact CE-CB 3.48Å; M278-Q372 VanDerWaalsContact CE-CB 3.48Å; M369-Q372 WeakPolarHBondContact O-CB 3.41Å; M369-Q372 PolarHBondContact O-N 3.09Å; Q372-I375 PolarHBondContact O-N 3.13Å; Q372-L376 VanDerWaalsContact O-CB 3.28Å; Q372-L376 WeakPolarHBondContact O-CB 3.21Å; Q372-L376 VanDerWaalsContact O-CG 3.31Å; Q372-L376 WeakPolarHBondContact O-CG 3.02Å; Q372-L376 PolarHBondContact O-N 2.96Å |
| 373 | Y | 87.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 178.9 | 172.8 | -98.9 | 0 | 0 | 0 | 111.9 | L275 F298 Q306 V332 R340 V365 M369 K370 L376 S377 | L275-Y373 HydrophobicContact CD1-CD2 3.46Å; L275-Y373 VanDerWaalsContact CD1-CD2 3.46Å; L275-Y373 HydrophobicContact CD1-CE2 3.66Å; L275-Y373 HydrophobicContact CD2-CE2 4.35Å; L275-Y373 HydrophobicContact CG-CD2 4.2Å; L275-Y373 HydrophobicContact CG-CE2 4Å; F298-Y373 HydrophobicContact CD1-CE1 4.42Å; F298-Y373 HydrophobicContact CE1-CD1 4.2Å; F298-Y373 HydrophobicContact CE1-CE1 4.19Å; Q306-Y373 HydrophobicContact CB-CE1 4.36Å; Q306-Y373 PolarHBondContact O-OH 2.81Å; V332-Y373 HydrophobicContact CG1-CE1 4.18Å; V332-Y373 HydrophobicContact CG1-CE2 4.02Å; V332-Y373 VanDerWaalsContact CG1-OH 3.26Å; V332-Y373 WeakPolarHBondContact CG1-OH 3.49Å; R340-Y373 VanDerWaalsContact CD-OH 3.28Å; R340-Y373 WeakPolarHBondContact CD-OH 3.49Å; V365-Y373 HydrophobicContact CB-CG 4.36Å; V365-Y373 HydrophobicContact CG1-CD2 4.44Å; V365-Y373 HydrophobicContact CG1-CG 3.96Å; V365-Y373 HydrophobicContact CG2-CD1 4.17Å; V365-Y373 HydrophobicContact CG2-CD2 3.48Å; V365-Y373 VanDerWaalsContact CG2-CD2 3.48Å; V365-Y373 HydrophobicContact CG2-CE1 4.44Å; V365-Y373 HydrophobicContact CG2-CE2 3.81Å; V365-Y373 HydrophobicContact CG2-CG 3.69Å; M369-Y373 PolarHBondContact O-N 3.28Å; K370-Y373 PolarHBondContact O-N 3.05Å; Y373-L376 PolarHBondContact O-N 3.21Å; Y373-S377 WeakPolarHBondContact O-CA 3.34Å; Y373-S377 WeakPolarHBondContact O-CB 3.48Å; Y373-S377 PolarHBondContact O-N 3Å |
| 374 | E | 86 | Confident | 75.4 | Confident | 69 Ų | 69 | 66.7 Ų | 66.7 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 175.2 | -177.1 | 166.4 | -158 | 0 | 0 | 111.4 | F298 K370 S377 V378 | F298-E374 HydrophobicContact CZ-CB 4.39Å; F298-E374 HydrophobicContact CZ-CG 4.48Å; K370-E374 PolarHBondContact O-N 2.66Å; E374-S377 PolarHBondContact O-N 2.82Å; E374-V378 WeakPolarHBondContact O-CG2 3.33Å; E374-V378 PolarHBondContact O-N 3Å; E374-V378 VanDerWaalsContact O-N 3.1Å |
| 375 | I | 82.7 | Confident | 72.7 | Confident | 99 Ų | 99 | 71.5 Ų | 71.5 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.6 | -50.1 | 176.1 | -65.3 | 165.8 | 0 | 0 | 0 | 111 | R371 Q372 S377 V378 Q379 | R371-I375 WeakPolarHBondContact O-CD1 3.43Å; R371-I375 VanDerWaalsContact O-CG1 3.31Å; R371-I375 WeakPolarHBondContact O-CG1 3.29Å; R371-I375 PolarHBondContact O-N 3.38Å; Q372-I375 PolarHBondContact O-N 3.13Å; I375-S377 VanDerWaalsContact C-N 3.34Å; I375-S377 PolarHBondContact O-N 3.35Å; I375-V378 PolarHBondContact O-N 2.89Å; I375-Q379 VanDerWaalsContact O-CB 3.29Å; I375-Q379 WeakPolarHBondContact O-CB 3.31Å; I375-Q379 PolarHBondContact O-N 2.84Å |
| 376 | L | 82 | Confident | 69.8 | Low | 50 Ų | 50 | 80.5 Ų | 80.5 | 26% | 0.262 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.8 | -25.6 | -178.2 | -70.7 | 170 | 0 | 0 | 0 | 113 | L275 M278 Q372 Y373 N380 | L275-L376 HydrophobicContact CD1-CB 3.95Å; M278-L376 HydrophobicContact CE-CD1 4.46Å; M278-L376 HydrophobicContact SD-CD1 3.63Å; Q372-L376 VanDerWaalsContact O-CB 3.28Å; Q372-L376 WeakPolarHBondContact O-CB 3.21Å; Q372-L376 VanDerWaalsContact O-CG 3.31Å; Q372-L376 WeakPolarHBondContact O-CG 3.02Å; Q372-L376 PolarHBondContact O-N 2.96Å; Y373-L376 PolarHBondContact O-N 3.21Å; L376-N380 WeakPolarHBondContact O-CB 3.14Å; L376-N380 PolarHBondContact O-N 3.49Å |
| 377 | S | 77.8 | Confident | 66.7 | Low | 10 Ų | 10 | 84.4 Ų | 84.4 | 7% | 0.07 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.4 | -50.4 | 172.3 | -173.5 | 0 | 0 | 0 | 0 | 110 | Y373 E374 I375 Q379 N380 E381 | Y373-S377 WeakPolarHBondContact O-CA 3.34Å; Y373-S377 WeakPolarHBondContact O-CB 3.48Å; Y373-S377 PolarHBondContact O-N 3Å; E374-S377 PolarHBondContact O-N 2.82Å; I375-S377 VanDerWaalsContact C-N 3.34Å; I375-S377 PolarHBondContact O-N 3.35Å; S377-Q379 VanDerWaalsContact C-N 3.32Å; S377-Q379 PolarHBondContact O-N 2.94Å; S377-N380 PolarHBondContact O-N 3.16Å; S377-E381 PolarHBondContact O-N 2.63Å |
| 378 | V | 71.4 | Confident | 63.7 | Low | 66 Ų | 66 | 89.9 Ų | 89.9 | 40% | 0.4 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 175.4 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | E374 I375 | E374-V378 WeakPolarHBondContact O-CG2 3.33Å; E374-V378 PolarHBondContact O-N 3Å; E374-V378 VanDerWaalsContact O-N 3.1Å; I375-V378 PolarHBondContact O-N 2.89Å |
| 379 | Q | 63 | Low | 60.9 | Low | 107 Ų | 107 | 96.2 Ų | 96.2 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.7 | -32.9 | -179.8 | -165 | 161.4 | 8.2 | 0 | 0 | 113 | I375 S377 E381 L382 S383 | I375-Q379 VanDerWaalsContact O-CB 3.29Å; I375-Q379 WeakPolarHBondContact O-CB 3.31Å; I375-Q379 PolarHBondContact O-N 2.84Å; S377-Q379 VanDerWaalsContact C-N 3.32Å; S377-Q379 PolarHBondContact O-N 2.94Å; Q379-E381 VanDerWaalsContact C-N 3.31Å; Q379-E381 PolarHBondContact O-N 3.07Å; Q379-L382 CarbonylContact O-C 3.52Å; Q379-L382 WeakPolarHBondContact O-CA 3.2Å; Q379-L382 WeakPolarHBondContact O-CB 3.1Å; Q379-L382 PolarHBondContact O-N 3.06Å; Q379-S383 WeakPolarHBondContact O-CB 3.28Å; Q379-S383 PolarHBondContact O-N 3.01Å; Q379-S383 PolarHBondContact O-OG 2.87Å |
| 380 | N | 59.3 | Low | 58.1 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -29.2 | 174.9 | 177.7 | 83.2 | 0 | 0 | 0 | 112.7 | L376 S377 L382 S383 | L376-N380 WeakPolarHBondContact O-CB 3.14Å; L376-N380 PolarHBondContact O-N 3.49Å; S377-N380 PolarHBondContact O-N 3.16Å; N380-L382 PolarHBondContact O-N 2.83Å; N380-S383 PolarHBondContact O-N 3.14Å |
| 381 | E | 56.9 | Low | 55.2 | Low | 100 Ų | 100 | 108.6 Ų | 108.6 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.4 | -21.3 | 169 | -66.7 | -163.7 | 156 | 0 | 0 | 112.9 | N341 S377 Q379 | N341-E381 PolarHBondContact ND2-OE1 3.07Å; S377-E381 PolarHBondContact O-N 2.63Å; Q379-E381 VanDerWaalsContact C-N 3.31Å; Q379-E381 PolarHBondContact O-N 3.07Å |
| 382 | L | 48.1 | Very low | 52.3 | Low | 135 Ų | 135 | 109.2 Ų | 109.2 | 71% | 0.707 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -89.8 | -19 | 171.9 | -66.5 | 165.1 | 0 | 0 | 0 | 113.5 | Q379 N380 | Q379-L382 CarbonylContact O-C 3.52Å; Q379-L382 WeakPolarHBondContact O-CA 3.2Å; Q379-L382 WeakPolarHBondContact O-CB 3.1Å; Q379-L382 PolarHBondContact O-N 3.06Å; N380-L382 PolarHBondContact O-N 2.83Å |
| 383 | S | 42.5 | Very low | 49.4 | Very low | 74 Ų | 74 | 110.6 Ų | 110.6 | 52% | 0.517 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -131.9 | 56 | -165.2 | 78.4 | 0 | 0 | 0 | 0 | 116.1 | Q379 N380 | Q379-S383 WeakPolarHBondContact O-CB 3.28Å; Q379-S383 PolarHBondContact O-N 3.01Å; Q379-S383 PolarHBondContact O-OG 2.87Å; N380-S383 PolarHBondContact O-N 3.14Å |
| 384 | S | 27 | Very low | 46.7 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 50% | 0.503 | 62% | 0.618 | S | S | . | * | trans | -153.2 | 98.8 | 163.5 | -167.1 | 0 | 0 | 0 | 0 | 115.9 | I504 | S384-I504 WeakPolarHBondContact O-CD1 3.48Š| ||
| 385 | P | 37.5 | Very low | 43.8 | Very low | 101 Ų | 101 | 121.7 Ų | 121.7 | 66% | 0.656 | 63% | 0.633 | S | S | * | * | trans | -96.9 | 111.4 | 159.2 | 32.9 | -25.7 | 0 | 0 | 0 | 111.5 | I504 | P385-I504 HydrophobicContact CB-CG2 4.16Š| ||
| 386 | Q | 32.3 | Very low | 41.2 | Very low | 189 Ų | 189 | 126.4 Ų | 126.4 | 88% | 0.883 | 65% | 0.646 | S | S | * | * | trans | 59.5 | 115 | 164.8 | -52.5 | -174.6 | 8 | 0 | 0 | 118.7 | ||||
| 387 | S | 26.6 | Very low | 38.6 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | 167.3 | 93.5 | 107.5 | 174.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 388 | T | 26.5 | Very low | 36.3 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 87% | 0.871 | 71% | 0.709 | S | S | * | * | trans | -139.6 | 113.4 | 149.2 | -31.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 389 | R | 29.2 | Very low | 34.5 | Very low | 238 Ų | 238 | 143.3 Ų | 143.3 | 90% | 0.898 | 73% | 0.729 | S | S | * | * | trans | -120 | 89.8 | -175.1 | -173.4 | -173.5 | -173.5 | 175.7 | 3.9 | 111.2 | ||||
| 390 | V | 28.3 | Very low | 32.8 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -123.2 | 94.9 | 170.7 | -175.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 391 | R | 26 | Very low | 31.2 | Very low | 225 Ų | 225 | 143.7 Ų | 143.7 | 85% | 0.849 | 75% | 0.75 | S | S | * | * | 56.4 | 104.7 | 105.3 | -66.4 | -171.8 | -177 | -167.7 | 2.5 | 113.3 | |||||
| 392 | F | 24.3 | Very low | 29.9 | Very low | 214 Ų | 214 | 148.9 Ų | 148.9 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -69.2 | 135.2 | 152.8 | -72.6 | -92.6 | 0 | 0 | 0 | 109.3 | ||||
| 393 | S | 23.6 | Very low | 28.9 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -127.3 | 141.7 | 153 | -72.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 394 | Q | 29.3 | Very low | 28.1 | Very low | 180 Ų | 180 | 148 Ų | 148 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | trans | -99 | 165.8 | -177.3 | -160.2 | 163.7 | -4.6 | 0 | 0 | 110.9 | ||||
| 395 | D | 25.6 | Very low | 28.2 | Very low | 121 Ų | 121 | 152.1 Ų | 152.1 | 65% | 0.647 | 79% | 0.786 | S | S | * | * | trans | -60.2 | 155.5 | -165.7 | -45.8 | -95.8 | 0 | 0 | 0 | 115.2 | ||||
| 396 | Y | 28.9 | Very low | 27.7 | Very low | 199 Ų | 199 | 153.6 Ų | 153.6 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | 175.9 | 147.9 | 102.3 | -93.3 | -60.1 | 0 | 0 | 0 | 114.8 | |||||
| 397 | Q | 27.4 | Very low | 27.4 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | 64.5 | 122.9 | 146.9 | -67.5 | 169.4 | 24.9 | 0 | 0 | 121.3 | ||||
| 398 | H | 28.3 | Very low | 27.5 | Very low | 184 Ų | 184 | 148 Ų | 148 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | -60.6 | 149.1 | 148.8 | -85.7 | -38.4 | 0 | 0 | 0 | 110.6 | ||||
| 399 | P | 34.5 | Very low | 27.6 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | -149.4 | 167.3 | 70.5 | 41.1 | -23.5 | 0 | 0 | 0 | 117.9 | |||||
| 400 | G | 26.4 | Very low | 28.3 | Very low | 66 Ų | 66 | 141.4 Ų | 141.4 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | 100.6 | 112.2 | 129.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 401 | D | 26.6 | Very low | 28.1 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | 66.3 | 127.6 | 139.5 | -87.1 | 30 | 0 | 0 | 0 | 123.3 | ||||
| 402 | R | 28.9 | Very low | 28.2 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 82.9 | 109.7 | 134.2 | -73.2 | 174.4 | -158.2 | -120.8 | -6.6 | 121.1 | ||||
| 403 | S | 27 | Very low | 28.2 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | 50.6 | 144.6 | 115.4 | 72.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 404 | S | 25.3 | Very low | 28.2 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | cis | 174.1 | 161.3 | -2.5 | 47.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 405 | L | 29.5 | Very low | 28 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 67 | 158 | 166 | -62.6 | 152.8 | 0 | 0 | 0 | 114 | ||||
| 406 | D | 26.4 | Very low | 28.1 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -143.1 | 173.1 | -2.4 | -164.1 | 23.9 | 0 | 0 | 0 | 112.3 | ||||
| 407 | S | 27.5 | Very low | 27.9 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 2.2 | 148.6 | 156 | 67.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 408 | G | 27.4 | Very low | 27.7 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 161.6 | 64 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 409 | T | 28.8 | Very low | 27.8 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -97.2 | -180 | 163.3 | 65 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 410 | P | 43.8 | Very low | 27.4 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -137.9 | -169 | -1.6 | 42.6 | -24.5 | 0 | 0 | 0 | 115.3 | ||||
| 411 | S | 25.2 | Very low | 27.5 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 73.7 | 158.2 | 147.2 | -72.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 412 | R | 26.7 | Very low | 27.4 | Very low | 221 Ų | 221 | 128.5 Ų | 128.5 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | cis | -177.9 | 152.8 | -19.9 | 168.6 | 177.7 | 156.1 | 179.4 | -4.9 | 109.1 | ||||
| 413 | S | 25 | Very low | 27.4 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | 65.3 | 154.1 | 177.8 | 16.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 414 | G | 24.1 | Very low | 27.3 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | cis | 97.8 | 137 | 30.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 415 | E | 25.6 | Very low | 27.4 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | -164.6 | 170.2 | 10.3 | -156.3 | -171.5 | 104.9 | 0 | 0 | 108.5 | ||||
| 416 | Q | 26.3 | Very low | 27.7 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 63.8 | 169.5 | 165.8 | -58.4 | 166 | 26.8 | 0 | 0 | 117 | ||||
| 417 | A | 24.6 | Very low | 27.9 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -165.6 | 152.3 | -47.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 418 | A | 24.7 | Very low | 27.7 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | 34.3 | 114.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 419 | V | 28.5 | Very low | 27.5 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -134.2 | 140.4 | 141.3 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 420 | N | 27.2 | Very low | 27.4 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -80.7 | -177.6 | 178.1 | -80.7 | -38.3 | 0 | 0 | 0 | 112.5 | ||||
| 421 | H | 27.7 | Very low | 27.2 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -6.5 | 138.6 | 156.9 | -66.5 | -41.6 | 0 | 0 | 0 | 116.7 | ||||
| 422 | D | 25.9 | Very low | 27.8 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 65% | 0.652 | 78% | 0.775 | S | S | * | * | -158.8 | 174 | 63.1 | -127.7 | -30 | 0 | 0 | 0 | 119.1 | |||||
| 423 | H | 28.5 | Very low | 27.8 | Very low | 149 Ų | 149 | 127 Ų | 127 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | trans | 25.1 | 129.3 | 157 | -67.6 | 4.3 | 0 | 0 | 0 | 121.5 | ||||
| 424 | Q | 25.5 | Very low | 28.7 | Very low | 184 Ų | 184 | 126.2 Ų | 126.2 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | 36.2 | 114.1 | 138.4 | -56.9 | -177.4 | 24.8 | 0 | 0 | 119.3 | ||||
| 425 | G | 26.9 | Very low | 28.9 | Very low | 68 Ų | 68 | 127.2 Ų | 127.2 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -74.4 | -153 | 149.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 426 | P | 35.3 | Very low | 29 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | cis | -137.4 | 170.6 | 2.4 | 41.9 | -24.9 | 0 | 0 | 0 | 115.9 | ||||
| 427 | L | 31.7 | Very low | 29.1 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | trans | 42.6 | 106.1 | 144.3 | -64.6 | 169.1 | 0 | 0 | 0 | 120.5 | ||||
| 428 | A | 22.8 | Very low | 29.3 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -145.4 | 153.6 | 142.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 429 | G | 22.9 | Very low | 29.3 | Very low | 59 Ų | 59 | 133.7 Ų | 133.7 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | cis | -156 | 165.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 430 | S | 26 | Very low | 29.2 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | 47.5 | 118.9 | 87.7 | 73.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 431 | T | 39.8 | Very low | 29.2 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -126.9 | 132.2 | 156.1 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 432 | P | 38.5 | Very low | 29.8 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | S | Bend | cis | -104.6 | -150.9 | -41.8 | 38.1 | -25.8 | 0 | 0 | 0 | 111.1 | ||
| 433 | E | 27.3 | Very low | 29.8 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -57.5 | 173.1 | 174.7 | -108.1 | -156.9 | 124.8 | 0 | 0 | 116 | ||||
| 434 | P | 43.4 | Very low | 29.6 | Very low | 94 Ų | 94 | 133 Ų | 133 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | cis | -139.9 | 179.4 | -10.1 | 37.4 | -18.4 | 0 | 0 | 0 | 117.2 | ||||
| 435 | S | 27.6 | Very low | 29.8 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | 77.5 | 108.7 | 144.1 | -80.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 436 | R | 28.8 | Very low | 30.5 | Very low | 201 Ų | 201 | 132.9 Ų | 132.9 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | trans | 69.8 | 149.7 | 134.4 | -57.8 | -174.1 | 179.9 | -163.2 | 2.3 | 119.9 | ||||
| 437 | R | 28 | Very low | 30 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 68% | 0.683 | 78% | 0.776 | S | S | * | * | cis | -165 | 141 | -20 | -108.4 | 178.7 | -173.3 | 179.2 | 1 | 109.4 | ||||
| 438 | F | 27.3 | Very low | 30.8 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | 47.1 | 115.3 | 148 | -64.1 | -58.9 | 0 | 0 | 0 | 123.5 | ||||
| 439 | A | 25.3 | Very low | 31 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | 100 | 152.5 | 109.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 440 | T | 27.6 | Very low | 31.3 | Very low | 140 Ų | 140 | 138 Ų | 138 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 77.3 | 112.1 | 149.7 | 31.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 441 | L | 25.5 | Very low | 31.3 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -60.6 | 176.1 | 138.9 | -58 | 164.8 | 0 | 0 | 0 | 110.2 | ||||
| 442 | P | 41.9 | Very low | 30.8 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | cis | -146.9 | -176.7 | 13.1 | 40.8 | -19.1 | 0 | 0 | 0 | 118.4 | ||||
| 443 | H | 24.5 | Very low | 30.2 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | trans | 79.5 | 161.7 | 140.2 | -90.9 | 36.3 | 0 | 0 | 0 | 123.4 | ||||
| 444 | A | 25.4 | Very low | 30.8 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | 91.5 | 106.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 445 | V | 28.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -72.6 | 172.2 | 150.6 | -94.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 446 | P | 42.5 | Very low | 29.8 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | cis | -141.1 | -168.2 | 21.4 | 39.9 | -17.3 | 0 | 0 | 0 | 118.1 | ||||
| 447 | H | 24.7 | Very low | 30.3 | Very low | 169 Ų | 169 | 136 Ų | 136 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | trans | -58.5 | -172.3 | 168 | -51.6 | -75.8 | 0 | 0 | 0 | 114.2 | ||||
| 448 | P | 46.9 | Very low | 30 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -150.8 | -158.7 | 17.3 | 33.4 | -4.3 | 0 | 0 | 0 | 118.3 | ||||
| 449 | I | 27.2 | Very low | 30.7 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | 110.7 | 105 | 147.7 | -72.3 | 165.7 | 0 | 0 | 0 | 121.7 | ||||
| 450 | I | 29.9 | Very low | 30.7 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | 65.9 | 95.4 | 131.2 | -54.6 | -179.3 | 0 | 0 | 0 | 123 | ||||
| 451 | S | 26.6 | Very low | 30.7 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | 63.7 | 143.3 | 116 | 101.9 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 452 | R | 28.1 | Very low | 30.9 | Very low | 227 Ų | 227 | 131.8 Ų | 131.8 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | 89.4 | 96.9 | 143.5 | -81 | 179 | 149.3 | -153 | -7.1 | 122.5 | ||||
| 453 | T | 25.8 | Very low | 30.3 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | 0.5 | 149.6 | 128.3 | 54.9 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 454 | P | 39.9 | Very low | 30.5 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | cis | -125.5 | -158.3 | 38.4 | 38.1 | -19.3 | 0 | 0 | 0 | 113.3 | ||||
| 455 | S | 23.9 | Very low | 30.7 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -152 | -159.1 | 12.5 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 456 | A | 27.6 | Very low | 30.5 | Very low | 84 Ų | 84 | 140.1 Ų | 140.1 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | -130.3 | -173.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 457 | P | 38.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -134.8 | -177.7 | -13.6 | 38.4 | -18.4 | 0 | 0 | 0 | 116.5 | ||||
| 458 | S | 21.2 | Very low | 30 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -33 | -176.3 | 164.5 | 59.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 459 | P | 41.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | cis | -136.2 | 177.3 | -25.6 | 29.7 | -8.9 | 0 | 0 | 0 | 115.5 | ||||
| 460 | S | 26.3 | Very low | 29.8 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | 175.7 | 177.5 | 126.8 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 461 | L | 28.3 | Very low | 29.7 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -126.7 | 148.1 | -157.8 | -61.2 | 167.9 | 0 | 0 | 0 | 113.9 | ||||
| 462 | Q | 29.8 | Very low | 29.8 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | 178.8 | 137.1 | 110.6 | -97.6 | -176.7 | 61.5 | 0 | 0 | 116.3 | |||||
| 463 | R | 27.8 | Very low | 30 | Very low | 201 Ų | 201 | 131.6 Ų | 131.6 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | trans | 61.7 | 92.8 | 138.3 | -156.2 | -172.8 | -50.6 | -133 | 3.1 | 120.8 | ||||
| 464 | R | 29.9 | Very low | 30.5 | Very low | 250 Ų | 250 | 135.7 Ų | 135.7 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | trans | -135.2 | 143.8 | 136.3 | -163.7 | -175.5 | -70.6 | -157.8 | 1.5 | 108.2 | ||||
| 465 | I | 28.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 68% | 0.677 | 78% | 0.781 | S | S | * | * | trans | -115.4 | 133.6 | -163.6 | -56.7 | 171.4 | 0 | 0 | 0 | 111.4 | T467 | I465-T467 HydrophobicContact CG2-CG2 4.44Š| ||
| 466 | S | 25.4 | Very low | 31.2 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -165.2 | 146 | 164.3 | -71.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 467 | T | 29.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | -141.2 | 120.9 | -158.4 | 48.4 | 0 | 0 | 0 | 0 | 116 | I465 | I465-T467 HydrophobicContact CG2-CG2 4.44Š| ||
| 468 | T | 27.5 | Very low | 32.7 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | 64.5 | 163.8 | 145.4 | 52.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 469 | P | 39.8 | Very low | 34.9 | Very low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -139.5 | 170.1 | 14.7 | 43.4 | -24.8 | 0 | 0 | 0 | 120 | ||||
| 470 | S | 29 | Very low | 36.8 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 65.5 | 99.2 | 141.9 | -64.1 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 471 | N | 28.5 | Very low | 39.6 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | 62 | 129.9 | 113.5 | -76.2 | -5.1 | 0 | 0 | 0 | 126.6 | |||||
| 472 | S | 29 | Very low | 42.4 | Very low | 92 Ų | 92 | 141 Ų | 141 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | trans | 101.2 | 110.1 | 135.5 | -158.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 473 | S | 32.5 | Very low | 45.3 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | -176.1 | 109.3 | 121.3 | 31.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 474 | Y | 35.4 | Very low | 48.3 | Very low | 212 Ų | 212 | 127.9 Ų | 127.9 | 83% | 0.831 | 67% | 0.666 | S | S | * | * | trans | 44.9 | 117.9 | 148.6 | -50.3 | -69.5 | 0 | 0 | 0 | 123.1 | ||||
| 475 | L | 35.9 | Very low | 51.2 | Low | 173 Ų | 173 | 120 Ų | 120 | 91% | 0.906 | 64% | 0.641 | S | S | * | * | trans | -86.7 | 131.3 | 173.1 | -160.9 | 76.5 | 0 | 0 | 0 | 112 | K477 | L475-K477 PolarHBondContact O-N 3.33Š| ||
| 476 | K | 42.9 | Very low | 54.1 | Low | 202 Ų | 202 | 113.9 Ų | 113.9 | 88% | 0.878 | 61% | 0.609 | S | S | * | * | trans | -73.9 | 107.1 | 176.3 | -69.2 | -179 | 179.4 | 177.8 | 0 | 111.8 | ||||
| 477 | K | 43.1 | Very low | 57 | Low | 165 Ų | 165 | 112.9 Ų | 112.9 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.5 | 160.8 | -67.5 | -177.2 | 175.6 | -179.2 | 0 | 109.4 | L475 T572 | L475-K477 PolarHBondContact O-N 3.33Å; K477-T572 PolarHBondContact NZ-OG1 3.32Å |
| 478 | K | 55 | Low | 59.7 | Low | 206 Ų | 206 | 109.2 Ų | 109.2 | 90% | 0.896 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 134.9 | 168.3 | -68.5 | -176.2 | 177.3 | -176.3 | 0 | 109.3 | ||
| 479 | G | 67.1 | Low | 62.2 | Low | 25 Ų | 25 | 103.9 Ų | 103.9 | 26% | 0.258 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 171.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S481 L567 R568 | G479-S481 PolarHBondContact O-N 3.16Å; G479-L567 WeakPolarHBondContact O-CD1 3.34Å; G479-R568 WeakPolarHBondContact CA-O 3.49Å |
| 480 | R | 81.5 | Confident | 64 | Low | 167 Ų | 167 | 104.6 Ų | 104.6 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 123.6 | 175 | -64.4 | -168.3 | -149.6 | 174.5 | 26.8 | 109.8 | F482 R568 E570 | R480-F482 WeakPolarHBondContact O-CD1 3.36Å; R480-F482 WeakPolarHBondContact O-CE1 3.18Å; R480-R568 PolarHBondContact N-O 2.93Å; R480-R568 PolarHBondContact O-N 3.35Å; R480-E570 VanDerWaalsContact CD-OE1 3.29Å; R480-E570 WeakPolarHBondContact CD-OE1 3.35Å; R480-E570 HydrophobicContact CG-CG 4.2Å; R480-E570 IonicContact CZ-OE1 3.13Å; R480-E570 VanDerWaalsContact CZ-OE1 3.25Å; R480-E570 IonicContact CZ-OE2 3.65Å; R480-E570 IonicContact NE-OE1 3.7Å; R480-E570 PolarHBondContact NE-OE1 2.88Å; R480-E570 IonicContact NE-OE2 3.97Å; R480-E570 PolarHBondContact NE-OE2 2.8Å; R480-E570 IonicContact NH2-OE1 2.77Å; R480-E570 PolarHBondContact NH2-OE1 3Å; R480-E570 IonicContact NH2-OE2 2.66Å; R480-E570 PolarHBondContact NH2-OE2 3.37Å |
| 481 | S | 84.6 | Confident | 66.1 | Low | 76 Ų | 76 | 103.9 Ų | 103.9 | 53% | 0.531 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.4 | 171.1 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | G479 V566 | G479-S481 PolarHBondContact O-N 3.16Å; S481-V566 CarbonylContact C-O 3.57Å; S481-V566 VanDerWaalsContact CA-O 3.22Å; S481-V566 WeakPolarHBondContact CA-O 3.42Å |
| 482 | F | 87.9 | Confident | 68.8 | Low | 51 Ų | 51 | 97 Ų | 97 | 22% | 0.224 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.7 | -179 | 44.2 | -73 | 0 | 0 | 0 | 109.9 | R480 I484 V566 R568 | R480-F482 WeakPolarHBondContact O-CD1 3.36Å; R480-F482 WeakPolarHBondContact O-CE1 3.18Å; F482-I484 HydrophobicContact CD2-CD1 3.9Å; F482-I484 HydrophobicContact CD2-CG1 4Å; F482-I484 HydrophobicContact CE2-CD1 3.81Å; F482-I484 HydrophobicContact CE2-CG1 4.42Å; F482-V566 HydrophobicContact CD1-CG2 4.47Å; F482-V566 HydrophobicContact CD2-CG2 3.48Å; F482-V566 VanDerWaalsContact CD2-CG2 3.48Å; F482-V566 HydrophobicContact CE1-CG2 4.26Å; F482-V566 HydrophobicContact CE2-CB 4.41Å; F482-V566 HydrophobicContact CE2-CG2 3.25Å; F482-V566 HydrophobicContact CG-CG2 4.08Å; F482-V566 HydrophobicContact CZ-CB 4.39Å; F482-V566 HydrophobicContact CZ-CG2 3.64Å; F482-V566 PolarHBondContact N-O 3.26Å; F482-V566 WeakPolarHBondContact O-CG2 3.47Å; F482-V566 PolarHBondContact O-N 2.83Å; F482-R568 HydrophobicContact CE1-CB 3.5Å; F482-R568 HydrophobicContact CZ-CB 3.83Å; F482-R568 VanDerWaalsContact CZ-CZ 3.43Å |
| 483 | N | 89.8 | Confident | 71.5 | Confident | 81 Ų | 81 | 93.4 Ų | 93.4 | 43% | 0.433 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.7 | 175.7 | -170.6 | -96 | 0 | 0 | 0 | 109.7 | L564 L565 | N483-L564 CarbonylContact C-O 3.6Å; N483-L564 WeakPolarHBondContact CA-O 3.41Å; N483-L564 PolarHBondContact ND2-O 3.06Å; N483-L565 HydrophobicContact CB-CD1 4.45Å |
| 484 | I | 91.1 | Very high | 74.1 | Confident | 1 Ų | 1 | 88.7 Ų | 88.7 | 1% | 0.005 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128 | 176.1 | -60.5 | 174.9 | 0 | 0 | 0 | 107.6 | F482 L486 D524 R526 L527 L564 V566 | F482-I484 HydrophobicContact CD2-CD1 3.9Å; F482-I484 HydrophobicContact CD2-CG1 4Å; F482-I484 HydrophobicContact CE2-CD1 3.81Å; F482-I484 HydrophobicContact CE2-CG1 4.42Å; I484-L486 HydrophobicContact CG2-CD2 3.62Å; I484-L486 HydrophobicContact CG2-CG 3.86Å; I484-D524 WeakPolarHBondContact CG2-OD2 3.4Å; I484-R526 HydrophobicContact CD1-CB 3.77Å; I484-R526 HydrophobicContact CG1-CB 4.02Å; I484-L527 HydrophobicContact CD1-CB 3.88Å; I484-L527 HydrophobicContact CD1-CD1 3.82Å; I484-L564 PolarHBondContact N-O 2.89Å; I484-L564 PolarHBondContact O-N 3.38Å; I484-V566 HydrophobicContact CD1-CG2 3.81Å; I484-V566 HydrophobicContact CG1-CG2 4.22Å |
| 485 | Q | 90.3 | Very high | 76.8 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.8 | 173.4 | 179.5 | 168.2 | 83.2 | 0 | 0 | 108.8 | R526 M561 V562 N563 | Q485-R526 PolarHBondContact O-NH2 3.26Å; Q485-M561 HydrophobicContact CG-CB 4.08Å; Q485-M561 HydrophobicContact CG-CE 4.04Å; Q485-M561 HydrophobicContact CG-CG 4.18Å; Q485-M561 HydrophobicContact CG-SD 3.69Å; Q485-V562 WeakPolarHBondContact CA-O 3.45Å; Q485-N563 WeakPolarHBondContact CG-OD1 3.46Å; Q485-N563 PolarHBondContact NE2-OD1 2.67Å |
| 486 | L | 89.6 | Confident | 79.2 | Confident | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.2 | 179 | -62.3 | -175.2 | 0 | 0 | 0 | 110.9 | I484 L493 F495 A521 D524 L527 M561 V562 L564 | I484-L486 HydrophobicContact CG2-CD2 3.62Å; I484-L486 HydrophobicContact CG2-CG 3.86Å; L486-L493 HydrophobicContact CB-CD2 4.21Å; L486-F495 HydrophobicContact CD1-CD1 4.14Å; L486-F495 HydrophobicContact CD1-CE1 3.89Å; L486-A521 HydrophobicContact CD1-CB 3.88Å; L486-D524 HydrophobicContact CD2-CB 3.37Å; L486-L527 HydrophobicContact CD1-CD2 4.37Å; L486-M561 WeakPolarHBondContact O-CA 3.4Å; L486-V562 PolarHBondContact N-O 2.77Å; L486-V562 PolarHBondContact O-N 3.33Å; L486-L564 HydrophobicContact CD1-CD1 3.73Å; L486-L564 HydrophobicContact CG-CD1 4.27Å |
| 487 | K | 87.3 | Confident | 81.5 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 130.4 | 172.4 | -153 | -174.8 | -163.3 | -149.7 | 0 | 110 | G489 A520 D559 M561 | K487-G489 PolarHBondContact O-N 2.67Å; K487-G489 VanDerWaalsContact O-N 3.09Å; K487-A520 WeakPolarHBondContact O-CB 3.46Å; K487-D559 VanDerWaalsContact CE-O 3.28Å; K487-D559 WeakPolarHBondContact CE-O 3.24Å; K487-D559 WeakPolarHBondContact CE-OD1 3.34Å; K487-D559 WeakPolarHBondContact CE-OD2 3.35Å; K487-D559 WeakPolarHBondContact CG-O 3.34Å; K487-D559 IonicContact NZ-OD1 2.74Å; K487-D559 PolarHBondContact NZ-OD1 2.82Å; K487-D559 IonicContact NZ-OD2 3.61Å; K487-D559 PolarHBondContact NZ-OD2 2.99Å; K487-M561 HydrophobicContact CB-SD 3.67Å; K487-M561 HydrophobicContact CG-SD 3.84Å |
| 488 | K | 86.4 | Confident | 83.6 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | trans | -76.1 | 97.8 | -179.3 | -174.1 | 173.8 | 166.8 | -175 | 0 | 111.2 | L493 R554 T556 D559 G560 | K488-L493 HydrophobicContact CB-CD2 3.9Å; K488-L493 HydrophobicContact CG-CD2 4.29Å; K488-L493 HydrophobicContact CG-CG 4.43Å; K488-R554 PolarHBondContact NZ-O 3.13Å; K488-T556 VanDerWaalsContact CD-O 3.3Å; K488-T556 WeakPolarHBondContact CD-O 3.27Å; K488-T556 PolarHBondContact NZ-O 2.84Å; K488-D559 WeakPolarHBondContact O-CA 3.24Å; K488-D559 PolarHBondContact O-N 3.49Å; K488-G560 PolarHBondContact N-O 2.88Å | ||
| 489 | G | 80.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | -175.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | K487 E491 G492 | K487-G489 PolarHBondContact O-N 2.67Å; K487-G489 VanDerWaalsContact O-N 3.09Å; G489-E491 VanDerWaalsContact C-N 3.28Å; G489-E491 PolarHBondContact O-N 2.82Å; G489-G492 PolarHBondContact N-O 2.77Å; G489-G492 WeakPolarHBondContact O-CA 3.32Å; G489-G492 PolarHBondContact O-N 2.88Å |
| 490 | P | 76 | Confident | 84.9 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 81% | 0.812 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -35.3 | 179.6 | 25.2 | -33.9 | 0 | 0 | 0 | 112.4 | G492 | P490-G492 PolarHBondContact O-N 3.23Š|
| 491 | E | 74.3 | Confident | 83.3 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 17.9 | 174.2 | -63.4 | 173.1 | -177.7 | 0 | 0 | 112.2 | G489 R518 | G489-E491 VanDerWaalsContact C-N 3.28Å; G489-E491 PolarHBondContact O-N 2.82Å; E491-R518 IonicContact OE1-CZ 3.6Å; E491-R518 IonicContact OE1-NH1 2.68Å; E491-R518 PolarHBondContact OE1-NH1 3.37Å; E491-R518 IonicContact OE1-NH2 3.53Å; E491-R518 WeakPolarHBondContact OE2-CB 3.47Å; E491-R518 IonicContact OE2-NH1 3.88Å |
| 492 | G | 84.3 | Confident | 81.7 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 19% | 0.186 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | 74 | -142.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G489 P490 | G489-G492 PolarHBondContact N-O 2.77Å; G489-G492 WeakPolarHBondContact O-CA 3.32Å; G489-G492 PolarHBondContact O-N 2.88Å; P490-G492 PolarHBondContact O-N 3.23Å |
| 493 | L | 86.3 | Confident | 79.7 | Confident | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -11.2 | -175.6 | -62.6 | 170.5 | 0 | 0 | 0 | 113.9 | L486 K488 F495 A521 L553 V562 | L486-L493 HydrophobicContact CB-CD2 4.21Å; K488-L493 HydrophobicContact CB-CD2 3.9Å; K488-L493 HydrophobicContact CG-CD2 4.29Å; K488-L493 HydrophobicContact CG-CG 4.43Å; L493-F495 HydrophobicContact CB-CD1 3.87Å; L493-F495 HydrophobicContact CB-CE1 3.63Å; L493-F495 HydrophobicContact CD1-CE1 4.09Å; L493-F495 HydrophobicContact CD1-CZ 4.43Å; L493-F495 HydrophobicContact CG-CE1 4.45Å; L493-A521 WeakPolarHBondContact O-CB 3.43Å; L493-A521 PolarHBondContact O-N 3.39Å; L493-L553 HydrophobicContact CD1-CB 4.15Å; L493-L553 HydrophobicContact CD1-CD2 3.72Å; L493-V562 HydrophobicContact CD1-CG2 4.01Å; L493-V562 HydrophobicContact CD2-CB 4.25Å; L493-V562 HydrophobicContact CD2-CG2 3.75Å; L493-V562 HydrophobicContact CG-CG2 4.5Å |
| 494 | G | 87.4 | Confident | 77.6 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 73.6 | 23.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L516 | G494-L516 PolarHBondContact O-N 3.31Š|
| 495 | F | 91.2 | Very high | 75.4 | Confident | 26 Ų | 26 | 63 Ų | 63 | 11% | 0.114 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.7 | 173.4 | 68.6 | -89.7 | 0 | 0 | 0 | 112.2 | L486 L493 I497 I512 N514 I515 A521 L527 L553 L564 | L486-F495 HydrophobicContact CD1-CD1 4.14Å; L486-F495 HydrophobicContact CD1-CE1 3.89Å; L493-F495 HydrophobicContact CB-CD1 3.87Å; L493-F495 HydrophobicContact CB-CE1 3.63Å; L493-F495 HydrophobicContact CD1-CE1 4.09Å; L493-F495 HydrophobicContact CD1-CZ 4.43Å; L493-F495 HydrophobicContact CG-CE1 4.45Å; F495-I497 HydrophobicContact CD2-CG2 3.85Å; F495-I497 HydrophobicContact CE2-CG2 3.56Å; F495-I512 HydrophobicContact CB-CG2 4.23Å; F495-I512 HydrophobicContact CD2-CD1 3.66Å; F495-I512 HydrophobicContact CD2-CG2 4.37Å; F495-I512 HydrophobicContact CE2-CD1 3.65Å; F495-N514 WeakPolarHBondContact CA-O 3.36Å; F495-I515 HydrophobicContact CB-CG1 4.29Å; F495-A521 HydrophobicContact CB-CB 4.16Å; F495-A521 HydrophobicContact CD1-CB 3.97Å; F495-L527 HydrophobicContact CB-CD2 4.06Å; F495-L527 HydrophobicContact CD1-CD2 3.73Å; F495-L527 HydrophobicContact CD2-CD2 4.26Å; F495-L527 HydrophobicContact CE1-CD2 4.17Å; F495-L527 HydrophobicContact CG-CD2 3.77Å; F495-L553 HydrophobicContact CE2-CD1 4.17Å; F495-L553 HydrophobicContact CZ-CD1 4.15Å; F495-L553 HydrophobicContact CZ-CD2 3.99Å; F495-L564 HydrophobicContact CE1-CD1 3.78Å; F495-L564 HydrophobicContact CZ-CD1 3.73Å; F495-L564 HydrophobicContact CZ-CD2 4.24Å |
| 496 | S | 87.9 | Confident | 73.4 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 149.1 | 170.8 | 64.7 | 0 | 0 | 0 | 0 | 111 | K513 N514 | S496-K513 PolarHBondContact O-N 2.87Å; S496-N514 PolarHBondContact N-O 2.86Å; S496-N514 WeakPolarHBondContact OG-CB 3.46Å; S496-N514 PolarHBondContact OG-N 3.38Å |
| 497 | I | 90.2 | Very high | 71.9 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 14% | 0.138 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 158.2 | 175.5 | 63.4 | 172.6 | 0 | 0 | 0 | 111.1 | F495 I510 Y511 I512 Q546 V549 V550 L553 | F495-I497 HydrophobicContact CD2-CG2 3.85Å; F495-I497 HydrophobicContact CE2-CG2 3.56Å; I497-I510 HydrophobicContact CB-CG2 3.86Å; I497-I510 HydrophobicContact CD1-CG2 3.95Å; I497-I510 HydrophobicContact CG1-CG2 4.41Å; I497-I510 HydrophobicContact CG2-CG2 4.21Å; I497-Y511 CarbonylContact C-O 3.48Å; I497-Y511 VanDerWaalsContact CA-O 3.29Å; I497-Y511 WeakPolarHBondContact CA-O 3.23Å; I497-I512 HydrophobicContact CG2-CD1 4.04Å; I497-Q546 HydrophobicContact CD1-CG 4.25Å; I497-V549 HydrophobicContact CD1-CB 4.26Å; I497-V549 HydrophobicContact CD1-CG1 3.9Å; I497-V550 HydrophobicContact CD1-CG2 3.96Å; I497-V550 HydrophobicContact CG1-CG2 4.33Å; I497-L553 HydrophobicContact CD1-CD1 4.23Å; I497-L553 HydrophobicContact CG2-CD1 4.46Å |
| 498 | T | 86.3 | Confident | 71.1 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 23% | 0.233 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 130.9 | 171.4 | -163.5 | 0 | 0 | 0 | 0 | 108.6 | Y511 K513 | T498-Y511 PolarHBondContact N-O 3.05Å; T498-Y511 PolarHBondContact O-N 3.31Å; T498-K513 HydrophobicContact CG2-CB 3.94Å; T498-K513 HydrophobicContact CG2-CD 4.23Å; T498-K513 HydrophobicContact CG2-CG 4.35Å |
| 499 | S | 83.3 | Confident | 70.8 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 151.9 | 148.9 | 44.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 500 | R | 66.9 | Low | 71.2 | Confident | 141 Ų | 141 | 58.9 Ų | 58.9 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | trans | -105.3 | 135.7 | 157.1 | -83.7 | -168.3 | -80.8 | 173 | -13.9 | 108.4 | V502 P509 Y511 | R500-V502 PolarHBondContact O-N 3.02Å; R500-P509 PolarHBondContact N-O 3.15Å; R500-Y511 HydrophobicContact CB-CD2 4.37Å; R500-Y511 HydrophobicContact CB-CE2 4.25Å; R500-Y511 HydrophobicContact CG-CD2 4.14Å; R500-Y511 HydrophobicContact CG-CE2 4.35Å; R500-Y511 VanDerWaalsContact NE-CE2 3.28Å; R500-Y511 PolarHBondContact NH2-OH 3.06Å | ||
| 501 | D | 48 | Very low | 71.9 | Confident | 153 Ų | 153 | 54.7 Ų | 54.7 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | trans | -70.6 | 127.7 | -166.7 | -49.6 | -73.7 | 0 | 0 | 0 | 111.8 | ||||
| 502 | V | 51 | Low | 72.7 | Confident | 91 Ų | 91 | 50.4 Ų | 50.4 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | trans | -138.7 | 131.1 | 178 | 178.1 | 0 | 0 | 0 | 0 | 105.8 | R500 | R500-V502 PolarHBondContact O-N 3.02Š| ||
| 503 | P | 45.8 | Very low | 72.8 | Confident | 109 Ų | 109 | 55.4 Ų | 55.4 | 71% | 0.708 | 33% | 0.334 | S | S | * | . | trans | -69.7 | 140.4 | -163.8 | 26 | -35.6 | 0 | 0 | 0 | 113.7 | ||||
| 504 | I | 44.9 | Very low | 72.9 | Confident | 77 Ų | 77 | 59 Ų | 59 | 40% | 0.395 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 41.5 | 94.3 | 152.7 | -53.2 | 178.4 | 0 | 0 | 0 | 115.4 | S384 P385 | S384-I504 WeakPolarHBondContact O-CD1 3.48Å; P385-I504 HydrophobicContact CB-CG2 4.16Å |
| 505 | G | 45.2 | Very low | 73 | Confident | 91 Ų | 91 | 61 Ų | 61 | 94% | 0.938 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 99.7 | 7.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 506 | G | 49.2 | Very low | 72.8 | Confident | 54 Ų | 54 | 63.9 Ų | 63.9 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -119.4 | 141 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | A508 | G506-A508 PolarHBondContact O-N 2.85Š|
| 507 | S | 58.4 | Low | 72.2 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 121.4 | 175.4 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | G543 K544 | S507-G543 VanDerWaalsContact CB-C 3.49Å; S507-G543 WeakPolarHBondContact OG-CA 3.39Å; S507-G543 PolarHBondContact OG-N 2.91Å; S507-K544 PolarHBondContact OG-N 2.89Å; S507-K544 PolarHBondContact OG-O 2.98Å |
| 508 | A | 69.4 | Low | 71.7 | Confident | 25 Ų | 25 | 73.9 Ų | 73.9 | 21% | 0.207 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 136.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111 | G506 I510 | G506-A508 PolarHBondContact O-N 2.85Å; A508-I510 PolarHBondContact O-N 3.21Å |
| 509 | P | 81.2 | Confident | 71.5 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 17% | 0.169 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 123.5 | 172.8 | 25.6 | -33.1 | 0 | 0 | 0 | 110.7 | R500 Y511 | R500-P509 PolarHBondContact N-O 3.15Å; P509-Y511 HydrophobicContact CB-CE2 3.72Å; P509-Y511 HydrophobicContact CG-CE2 3.8Å; P509-Y511 WeakPolarHBondContact O-CD2 3.04Å; P509-Y511 VanDerWaalsContact O-CE2 3.26Å; P509-Y511 WeakPolarHBondContact O-CE2 3.48Å |
| 510 | I | 88.1 | Confident | 71.7 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 131.8 | 179.2 | -66.6 | 169.9 | 0 | 0 | 0 | 109.5 | I497 A508 R532 L533 L541 V549 | I497-I510 HydrophobicContact CB-CG2 3.86Å; I497-I510 HydrophobicContact CD1-CG2 3.95Å; I497-I510 HydrophobicContact CG1-CG2 4.41Å; I497-I510 HydrophobicContact CG2-CG2 4.21Å; A508-I510 PolarHBondContact O-N 3.21Å; I510-R532 CarbonylContact O-C 3.59Å; I510-R532 WeakPolarHBondContact O-CA 3.5Å; I510-R532 WeakPolarHBondContact O-CG 3.38Å; I510-L533 HydrophobicContact CG2-CB 4.26Å; I510-L533 PolarHBondContact O-N 3.08Å; I510-L541 HydrophobicContact CD1-CD1 4.25Å; I510-V549 HydrophobicContact CD1-CB 3.86Å; I510-V549 HydrophobicContact CD1-CG1 4.12Å; I510-V549 HydrophobicContact CD1-CG2 3.42Å; I510-V549 VanDerWaalsContact CD1-CG2 3.42Å |
| 511 | Y | 90.1 | Very high | 72.6 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.1 | 179 | -63 | -88.6 | 0 | 0 | 0 | 110.9 | I497 T498 R500 P509 K513 D531 R532 | I497-Y511 CarbonylContact C-O 3.48Å; I497-Y511 VanDerWaalsContact CA-O 3.29Å; I497-Y511 WeakPolarHBondContact CA-O 3.23Å; T498-Y511 PolarHBondContact N-O 3.05Å; T498-Y511 PolarHBondContact O-N 3.31Å; R500-Y511 HydrophobicContact CB-CD2 4.37Å; R500-Y511 HydrophobicContact CB-CE2 4.25Å; R500-Y511 HydrophobicContact CG-CD2 4.14Å; R500-Y511 HydrophobicContact CG-CE2 4.35Å; R500-Y511 VanDerWaalsContact NE-CE2 3.28Å; R500-Y511 PolarHBondContact NH2-OH 3.06Å; P509-Y511 HydrophobicContact CB-CE2 3.72Å; P509-Y511 HydrophobicContact CG-CE2 3.8Å; P509-Y511 WeakPolarHBondContact O-CD2 3.04Å; P509-Y511 VanDerWaalsContact O-CE2 3.26Å; P509-Y511 WeakPolarHBondContact O-CE2 3.48Å; Y511-K513 PolarHBondContact O-N 3.28Å; Y511-D531 CarbonylContact C-O 3.6Å; Y511-D531 VanDerWaalsContact CA-O 3.31Å; Y511-D531 WeakPolarHBondContact CA-O 3.21Å; Y511-R532 HydrophobicContact CD1-CB 3.83Å; Y511-R532 HydrophobicContact CD1-CG 4.38Å; Y511-R532 HydrophobicContact CE1-CB 3.65Å; Y511-R532 HydrophobicContact CE1-CG 4.07Å |
| 512 | I | 91.1 | Very high | 74.5 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 123.9 | 166 | -50.6 | -48.9 | 0 | 0 | 0 | 108.3 | F495 I497 I515 L527 G530 D531 | F495-I512 HydrophobicContact CB-CG2 4.23Å; F495-I512 HydrophobicContact CD2-CD1 3.66Å; F495-I512 HydrophobicContact CD2-CG2 4.37Å; F495-I512 HydrophobicContact CE2-CD1 3.65Å; I497-I512 HydrophobicContact CG2-CD1 4.04Å; I512-I515 HydrophobicContact CG2-CG1 4.21Å; I512-L527 HydrophobicContact CD1-CD1 4.31Å; I512-L527 HydrophobicContact CD1-CD2 4.27Å; I512-L527 HydrophobicContact CG1-CD1 3.93Å; I512-L527 HydrophobicContact CG1-CD2 4.22Å; I512-L527 HydrophobicContact CG1-CG 4.13Å; I512-L527 HydrophobicContact CG2-CD2 4.32Å; I512-G530 PolarHBondContact O-N 2.89Å; I512-D531 HydrophobicContact CG1-CB 4.05Å; I512-D531 PolarHBondContact N-O 2.91Å |
| 513 | K | 88.1 | Confident | 76.1 | Confident | 123 Ų | 123 | 64.5 Ų | 64.5 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -64.5 | -178.8 | -174.1 | 170.9 | 179.9 | 171.4 | 0 | 111.1 | S496 T498 Y511 A529 | S496-K513 PolarHBondContact O-N 2.87Å; T498-K513 HydrophobicContact CG2-CB 3.94Å; T498-K513 HydrophobicContact CG2-CD 4.23Å; T498-K513 HydrophobicContact CG2-CG 4.35Å; Y511-K513 PolarHBondContact O-N 3.28Å; K513-A529 VanDerWaalsContact O-CB 3.28Å; K513-A529 WeakPolarHBondContact O-CB 3.2Å |
| 514 | N | 87.2 | Confident | 78 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 155.3 | 175.5 | -61.4 | 4 | 0 | 0 | 0 | 110.3 | F495 S496 | F495-N514 WeakPolarHBondContact CA-O 3.36Å; S496-N514 PolarHBondContact N-O 2.86Å; S496-N514 WeakPolarHBondContact OG-CB 3.46Å; S496-N514 PolarHBondContact OG-N 3.38Å |
| 515 | I | 90.3 | Very high | 79.8 | Confident | 46 Ų | 46 | 60.2 Ų | 60.2 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 133.8 | 161.9 | -65 | 176.2 | 0 | 0 | 0 | 106.7 | F495 I512 A521 I522 L527 | F495-I515 HydrophobicContact CB-CG1 4.29Å; I512-I515 HydrophobicContact CG2-CG1 4.21Å; I515-A521 HydrophobicContact CG2-CB 4.11Å; I515-I522 HydrophobicContact CG2-CB 3.75Å; I515-I522 HydrophobicContact CG2-CD1 4.36Å; I515-I522 HydrophobicContact CG2-CG1 3.93Å; I515-L527 HydrophobicContact CD1-CB 4.25Å; I515-L527 HydrophobicContact CD1-CG 4.36Å; I515-L527 WeakPolarHBondContact CD1-O 3.31Å |
| 516 | L | 86.8 | Confident | 81.8 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | trans | -86.4 | 141.3 | -177.3 | -59.8 | 177.1 | 0 | 0 | 0 | 109.8 | G494 | G494-L516 PolarHBondContact O-N 3.31Š| ||
| 517 | P | 75 | Confident | 83.7 | Confident | 97 Ų | 97 | 59.3 Ų | 59.3 | 63% | 0.63 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -59.1 | 152.6 | 167.6 | 28.8 | -34.9 | 0 | 0 | 0 | 109.9 | G519 | P517-G519 PolarHBondContact O-N 3.16Š|
| 518 | R | 78.8 | Confident | 85.2 | Confident | 181 Ų | 181 | 62.7 Ų | 62.7 | 68% | 0.683 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 65 | -26.5 | -179.9 | -57 | 168.6 | 73.6 | -125.6 | -2.4 | 116.2 | E491 Q523 | E491-R518 IonicContact OE1-CZ 3.6Å; E491-R518 IonicContact OE1-NH1 2.68Å; E491-R518 PolarHBondContact OE1-NH1 3.37Å; E491-R518 IonicContact OE1-NH2 3.53Å; E491-R518 WeakPolarHBondContact OE2-CB 3.47Å; E491-R518 IonicContact OE2-NH1 3.88Å; R518-Q523 PolarHBondContact O-NE2 2.87Å |
| 519 | G | 83.6 | Confident | 86.1 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -71 | 158.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P517 A521 I522 | P517-G519 PolarHBondContact O-N 3.16Å; G519-A521 PolarHBondContact O-N 3.36Å; G519-A521 VanDerWaalsContact O-N 3.14Å; G519-I522 WeakPolarHBondContact O-CG2 3.47Å; G519-I522 PolarHBondContact O-N 3.47Å |
| 520 | A | 85.9 | Confident | 86.2 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 7% | 0.074 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.4 | -37.9 | -166 | 0 | 0 | 0 | 0 | 0 | 116 | K487 I522 Q523 D524 | K487-A520 WeakPolarHBondContact O-CB 3.46Å; A520-I522 VanDerWaalsContact C-N 3.25Å; A520-I522 PolarHBondContact O-N 2.85Å; A520-Q523 PolarHBondContact O-N 2.96Å; A520-Q523 VanDerWaalsContact O-N 3.13Å; A520-D524 PolarHBondContact O-N 3.12Å; A520-D524 VanDerWaalsContact O-N 3.09Å |
| 521 | A | 87.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.6 | -29.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L486 L493 F495 I515 G519 G525 L527 | L486-A521 HydrophobicContact CD1-CB 3.88Å; L493-A521 WeakPolarHBondContact O-CB 3.43Å; L493-A521 PolarHBondContact O-N 3.39Å; F495-A521 HydrophobicContact CB-CB 4.16Å; F495-A521 HydrophobicContact CD1-CB 3.97Å; I515-A521 HydrophobicContact CG2-CB 4.11Å; G519-A521 PolarHBondContact O-N 3.36Å; G519-A521 VanDerWaalsContact O-N 3.14Å; A521-G525 PolarHBondContact O-N 3.25Å; A521-L527 HydrophobicContact CB-CD2 3.86Å |
| 522 | I | 86.9 | Confident | 86.4 | Confident | 89 Ų | 89 | 67 Ų | 67 | 46% | 0.456 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -80.8 | -26.6 | 176.6 | -142.4 | 174.5 | 0 | 0 | 0 | 112.1 | I515 G519 A520 | I515-I522 HydrophobicContact CG2-CB 3.75Å; I515-I522 HydrophobicContact CG2-CD1 4.36Å; I515-I522 HydrophobicContact CG2-CG1 3.93Å; G519-I522 WeakPolarHBondContact O-CG2 3.47Å; G519-I522 PolarHBondContact O-N 3.47Å; A520-I522 VanDerWaalsContact C-N 3.25Å; A520-I522 PolarHBondContact O-N 2.85Å |
| 523 | Q | 84.1 | Confident | 86.4 | Confident | 153 Ų | 153 | 67 Ų | 67 | 72% | 0.715 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -72.7 | -36 | 175.9 | -56.9 | -178.2 | 11 | 0 | 0 | 111.3 | R518 A520 | R518-Q523 PolarHBondContact O-NE2 2.87Å; A520-Q523 PolarHBondContact O-N 2.96Å; A520-Q523 VanDerWaalsContact O-N 3.13Å |
| 524 | D | 85.9 | Confident | 86.4 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -77.6 | -36.9 | 173.8 | 179.2 | 91.3 | 0 | 0 | 0 | 113 | I484 L486 A520 R526 | I484-D524 WeakPolarHBondContact CG2-OD2 3.4Å; L486-D524 HydrophobicContact CD2-CB 3.37Å; A520-D524 PolarHBondContact O-N 3.12Å; A520-D524 VanDerWaalsContact O-N 3.09Å; D524-R526 VanDerWaalsContact CG-NE 3.31Å; D524-R526 PolarHBondContact O-N 3.01Å; D524-R526 IonicContact OD1-CZ 3.49Å; D524-R526 IonicContact OD1-NE 3.34Å; D524-R526 PolarHBondContact OD1-NE 3.37Å; D524-R526 IonicContact OD1-NH2 2.97Å; D524-R526 PolarHBondContact OD1-NH2 2.71Å; D524-R526 WeakPolarHBondContact OD2-CB 3.4Å; D524-R526 VanDerWaalsContact OD2-CG 3.31Å; D524-R526 WeakPolarHBondContact OD2-CG 3.44Å; D524-R526 IonicContact OD2-CZ 2.79Å; D524-R526 PolarHBondContact OD2-N 2.94Å; D524-R526 IonicContact OD2-NE 3.82Å; D524-R526 PolarHBondContact OD2-NE 3.14Å; D524-R526 IonicContact OD2-NH2 2.77Å |
| 525 | G | 83.3 | Confident | 86.5 | Confident | 45 Ų | 45 | 62 Ų | 62 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | trans | 70 | -7.4 | 172 | 0 | 0 | 0 | 0 | 0 | 116.9 | A521 | A521-G525 PolarHBondContact O-N 3.25Š| ||
| 526 | R | 86.3 | Confident | 86.6 | Confident | 122 Ų | 122 | 59.9 Ų | 59.9 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | trans | -77.4 | -32.1 | -180 | -58.3 | 178.4 | -74.3 | -179.8 | -8.3 | 112.6 | I484 Q485 D524 R568 | I484-R526 HydrophobicContact CD1-CB 3.77Å; I484-R526 HydrophobicContact CG1-CB 4.02Å; Q485-R526 PolarHBondContact O-NH2 3.26Å; D524-R526 VanDerWaalsContact CG-NE 3.31Å; D524-R526 PolarHBondContact O-N 3.01Å; D524-R526 IonicContact OD1-CZ 3.49Å; D524-R526 IonicContact OD1-NE 3.34Å; D524-R526 PolarHBondContact OD1-NE 3.37Å; D524-R526 IonicContact OD1-NH2 2.97Å; D524-R526 PolarHBondContact OD1-NH2 2.71Å; D524-R526 WeakPolarHBondContact OD2-CB 3.4Å; D524-R526 VanDerWaalsContact OD2-CG 3.31Å; D524-R526 WeakPolarHBondContact OD2-CG 3.44Å; D524-R526 IonicContact OD2-CZ 2.79Å; D524-R526 PolarHBondContact OD2-N 2.94Å; D524-R526 IonicContact OD2-NE 3.82Å; D524-R526 PolarHBondContact OD2-NE 3.14Å; D524-R526 IonicContact OD2-NH2 2.77Å; R526-R568 PolarHBondContact O-NH2 3.25Å | ||
| 527 | L | 90.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -73.4 | 141.1 | 176.8 | -164.6 | 71.5 | 0 | 0 | 0 | 109.7 | I484 L486 F495 I512 I515 A521 L564 V566 | I484-L527 HydrophobicContact CD1-CB 3.88Å; I484-L527 HydrophobicContact CD1-CD1 3.82Å; L486-L527 HydrophobicContact CD1-CD2 4.37Å; F495-L527 HydrophobicContact CB-CD2 4.06Å; F495-L527 HydrophobicContact CD1-CD2 3.73Å; F495-L527 HydrophobicContact CD2-CD2 4.26Å; F495-L527 HydrophobicContact CE1-CD2 4.17Å; F495-L527 HydrophobicContact CG-CD2 3.77Å; I512-L527 HydrophobicContact CD1-CD1 4.31Å; I512-L527 HydrophobicContact CD1-CD2 4.27Å; I512-L527 HydrophobicContact CG1-CD1 3.93Å; I512-L527 HydrophobicContact CG1-CD2 4.22Å; I512-L527 HydrophobicContact CG1-CG 4.13Å; I512-L527 HydrophobicContact CG2-CD2 4.32Å; I515-L527 HydrophobicContact CD1-CB 4.25Å; I515-L527 HydrophobicContact CD1-CG 4.36Å; I515-L527 WeakPolarHBondContact CD1-O 3.31Å; A521-L527 HydrophobicContact CB-CD2 3.86Å; L527-L564 HydrophobicContact CD1-CD1 4.35Å; L527-L564 HydrophobicContact CD2-CD1 4.36Å; L527-V566 HydrophobicContact CD1-CG1 3.84Å; L527-V566 HydrophobicContact CD1-CG2 4.46Å | ||
| 528 | K | 88.1 | Confident | 86.6 | Confident | 117 Ų | 117 | 56.8 Ų | 56.8 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | trans | -133.6 | 150.9 | 175.6 | -65.2 | -171.7 | 179.5 | -171 | 0 | 111.7 | G530 D531 | K528-G530 PolarHBondContact O-N 3.45Å; K528-D531 PolarHBondContact N-OD2 2.73Å; K528-D531 WeakPolarHBondContact O-CB 3.11Å; K528-D531 PolarHBondContact O-N 2.77Å | ||
| 529 | A | 88.9 | Confident | 86.9 | Confident | 62 Ų | 62 | 50.8 Ų | 50.8 | 51% | 0.512 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 137.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | K513 | K513-A529 VanDerWaalsContact O-CB 3.28Å; K513-A529 WeakPolarHBondContact O-CB 3.2Å |
| 530 | G | 84.1 | Confident | 87 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 54% | 0.536 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -13.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | I512 K528 R532 | I512-G530 PolarHBondContact O-N 2.89Å; K528-G530 PolarHBondContact O-N 3.45Å; G530-R532 PolarHBondContact O-N 2.93Å |
| 531 | D | 90.8 | Very high | 86.8 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.011 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 135.4 | 172.9 | -73 | -24.4 | 0 | 0 | 0 | 110.6 | Y511 I512 K528 V566 R568 | Y511-D531 CarbonylContact C-O 3.6Å; Y511-D531 VanDerWaalsContact CA-O 3.31Å; Y511-D531 WeakPolarHBondContact CA-O 3.21Å; I512-D531 HydrophobicContact CG1-CB 4.05Å; I512-D531 PolarHBondContact N-O 2.91Å; K528-D531 PolarHBondContact N-OD2 2.73Å; K528-D531 WeakPolarHBondContact O-CB 3.11Å; K528-D531 PolarHBondContact O-N 2.77Å; D531-V566 HydrophobicContact CB-CB 4.35Å; D531-V566 HydrophobicContact CB-CG1 4.43Å; D531-R568 IonicContact OD1-CZ 3.54Å; D531-R568 IonicContact OD1-NE 2.82Å; D531-R568 PolarHBondContact OD1-NE 3.05Å; D531-R568 IonicContact OD1-NH2 3.23Å; D531-R568 PolarHBondContact OD1-NH2 2.81Å; D531-R568 IonicContact OD2-CZ 3.35Å; D531-R568 IonicContact OD2-NE 2.67Å; D531-R568 IonicContact OD2-NH2 3.63Å; D531-R568 PolarHBondContact OD2-NH2 3.49Å |
| 532 | R | 90.6 | Very high | 86.4 | Confident | 71 Ų | 71 | 60 Ų | 60 | 27% | 0.268 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.9 | 172.4 | -178.2 | -178 | 167.5 | 167.1 | -1 | 109.4 | I510 Y511 G530 L534 V566 L567 | I510-R532 CarbonylContact O-C 3.59Å; I510-R532 WeakPolarHBondContact O-CA 3.5Å; I510-R532 WeakPolarHBondContact O-CG 3.38Å; Y511-R532 HydrophobicContact CD1-CB 3.83Å; Y511-R532 HydrophobicContact CD1-CG 4.38Å; Y511-R532 HydrophobicContact CE1-CB 3.65Å; Y511-R532 HydrophobicContact CE1-CG 4.07Å; G530-R532 PolarHBondContact O-N 2.93Å; R532-L534 HydrophobicContact CG-CD2 4.25Å; R532-V566 CarbonylContact O-C 3.53Å; R532-V566 VanDerWaalsContact O-CA 3.27Å; R532-V566 WeakPolarHBondContact O-CA 3.45Å; R532-L567 HydrophobicContact CB-CB 4.34Å; R532-L567 PolarHBondContact N-O 2.83Å; R532-L567 PolarHBondContact O-N 3.42Å |
| 533 | L | 90.6 | Very high | 85.7 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.2 | 173 | -163.7 | 58.9 | 0 | 0 | 0 | 109.6 | I510 V536 L541 V549 L564 V566 | I510-L533 HydrophobicContact CG2-CB 4.26Å; I510-L533 PolarHBondContact O-N 3.08Å; L533-V536 HydrophobicContact CD1-CG2 4.39Å; L533-V536 HydrophobicContact CD2-CG2 3.67Å; L533-V536 HydrophobicContact CG-CG2 4.13Å; L533-L541 HydrophobicContact CB-CD1 3.94Å; L533-L541 HydrophobicContact CD2-CD1 3.64Å; L533-L541 HydrophobicContact CG-CD1 3.5Å; L533-L541 VanDerWaalsContact CG-CD1 3.5Å; L533-V549 HydrophobicContact CD2-CG1 4.37Å; L533-L564 HydrophobicContact CD1-CB 3.86Å; L533-L564 HydrophobicContact CD1-CD2 3.97Å; L533-L564 HydrophobicContact CD1-CG 4.36Å; L533-V566 HydrophobicContact CD1-CG1 3.52Å |
| 534 | L | 88.9 | Confident | 85.5 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -44.1 | 178.7 | -63.6 | -173.3 | 0 | 0 | 0 | 111.8 | R532 L541 L565 L567 | R532-L534 HydrophobicContact CG-CD2 4.25Å; L534-L541 WeakPolarHBondContact O-CB 3.47Å; L534-L541 WeakPolarHBondContact O-CG 3.4Å; L534-L541 PolarHBondContact O-N 3.33Å; L534-L565 HydrophobicContact CB-CB 4.44Å; L534-L565 HydrophobicContact CB-CD2 4.2Å; L534-L565 HydrophobicContact CB-CG 4.33Å; L534-L565 HydrophobicContact CD1-CD2 4.26Å; L534-L565 PolarHBondContact N-O 3.02Å; L534-L567 HydrophobicContact CD1-CB 3.83Å; L534-L567 HydrophobicContact CD2-CB 4.34Å; L534-L567 HydrophobicContact CG-CB 3.97Å |
| 535 | E | 90.4 | Very high | 85.4 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 33% | 0.327 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.5 | 180 | -53.2 | 171.6 | -173.1 | 0 | 0 | 111.2 | V539 L564 L565 | E535-V539 CarbonylContact C-O 3.6Å; E535-V539 WeakPolarHBondContact CA-O 3.31Å; E535-L564 WeakPolarHBondContact O-CA 3.37Å; E535-L565 HydrophobicContact CB-CB 3.69Å; E535-L565 VanDerWaalsContact CD-CD2 3.49Å; E535-L565 HydrophobicContact CG-CB 3.91Å; E535-L565 HydrophobicContact CG-CD2 3.89Å; E535-L565 PolarHBondContact N-O 2.88Å; E535-L565 PolarHBondContact O-N 3.48Å; E535-L565 WeakPolarHBondContact OE1-CD2 3.48Å |
| 536 | V | 90.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 118.9 | 170.7 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | L533 G538 V539 L541 V549 L552 L553 V562 L564 | L533-V536 HydrophobicContact CD1-CG2 4.39Å; L533-V536 HydrophobicContact CD2-CG2 3.67Å; L533-V536 HydrophobicContact CG-CG2 4.13Å; V536-G538 PolarHBondContact O-N 2.82Å; V536-V539 PolarHBondContact N-O 3.15Å; V536-V539 WeakPolarHBondContact O-CB 3.45Å; V536-V539 PolarHBondContact O-N 3.5Å; V536-L541 HydrophobicContact CB-CD2 4.16Å; V536-L541 HydrophobicContact CG2-CD1 4.04Å; V536-L541 HydrophobicContact CG2-CD2 3.97Å; V536-L541 HydrophobicContact CG2-CG 4.38Å; V536-V549 HydrophobicContact CG2-CG1 4.25Å; V536-L552 HydrophobicContact CG1-CB 4.17Å; V536-L553 HydrophobicContact CB-CD2 4.49Å; V536-L553 HydrophobicContact CG1-CD2 3.64Å; V536-L553 HydrophobicContact CG1-CG 4.16Å; V536-L553 HydrophobicContact CG2-CD2 3.93Å; V536-L553 HydrophobicContact CG2-CG 4.32Å; V536-V562 HydrophobicContact CG1-CG1 3.99Å; V536-L564 HydrophobicContact CG1-CD2 4.47Å; V536-L564 HydrophobicContact CG2-CD2 3.94Å |
| 537 | S | 83.6 | Confident | 85.3 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 37.2 | -179.3 | -62.6 | 0 | 0 | 0 | 0 | 114 | N563 | S537-N563 PolarHBondContact N-O 2.82Š|
| 538 | G | 79.2 | Confident | 85 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 62% | 0.619 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 9.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | V536 | V536-G538 PolarHBondContact O-N 2.82Š|
| 539 | V | 84.6 | Confident | 85 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 117.9 | 175 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | E535 V536 K544 L552 | E535-V539 CarbonylContact C-O 3.6Å; E535-V539 WeakPolarHBondContact CA-O 3.31Å; V536-V539 PolarHBondContact N-O 3.15Å; V536-V539 WeakPolarHBondContact O-CB 3.45Å; V536-V539 PolarHBondContact O-N 3.5Å; V539-K544 HydrophobicContact CG1-CD 4.34Å; V539-L552 HydrophobicContact CB-CD1 4.26Å; V539-L552 HydrophobicContact CG1-CD1 3.94Å; V539-L552 HydrophobicContact CG2-CD2 4.48Å |
| 540 | D | 85.4 | Confident | 84.9 | Confident | 84 Ų | 84 | 51.5 Ų | 51.5 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 135.2 | 173.5 | -171.9 | 3.4 | 0 | 0 | 0 | 110.9 | N542 K544 | D540-N542 WeakPolarHBondContact OD1-CB 3.47Å; D540-N542 PolarHBondContact OD1-N 2.66Å; D540-K544 WeakPolarHBondContact O-CD 3.47Å |
| 541 | L | 83 | Confident | 85 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | trans | -91 | -14.4 | 177.5 | -54.4 | -165.5 | 0 | 0 | 0 | 112.6 | I510 L533 L534 V536 G543 K544 V549 L552 | I510-L541 HydrophobicContact CD1-CD1 4.25Å; L533-L541 HydrophobicContact CB-CD1 3.94Å; L533-L541 HydrophobicContact CD2-CD1 3.64Å; L533-L541 HydrophobicContact CG-CD1 3.5Å; L533-L541 VanDerWaalsContact CG-CD1 3.5Å; L534-L541 WeakPolarHBondContact O-CB 3.47Å; L534-L541 WeakPolarHBondContact O-CG 3.4Å; L534-L541 PolarHBondContact O-N 3.33Å; V536-L541 HydrophobicContact CB-CD2 4.16Å; V536-L541 HydrophobicContact CG2-CD1 4.04Å; V536-L541 HydrophobicContact CG2-CD2 3.97Å; V536-L541 HydrophobicContact CG2-CG 4.38Å; L541-G543 PolarHBondContact O-N 2.8Å; L541-K544 HydrophobicContact CD2-CD 4.35Å; L541-K544 WeakPolarHBondContact O-CB 3.49Å; L541-K544 PolarHBondContact O-N 2.76Å; L541-V549 HydrophobicContact CB-CG2 4.37Å; L541-V549 HydrophobicContact CD1-CB 4.49Å; L541-V549 HydrophobicContact CD1-CG1 3.61Å; L541-V549 HydrophobicContact CD1-CG2 4.03Å; L541-V549 HydrophobicContact CD2-CB 4.41Å; L541-V549 HydrophobicContact CD2-CG1 3.98Å; L541-V549 HydrophobicContact CD2-CG2 3.63Å; L541-V549 HydrophobicContact CG-CG1 4.42Å; L541-V549 HydrophobicContact CG-CG2 4.21Å; L541-L552 HydrophobicContact CD2-CD1 4.47Å | ||
| 542 | N | 78.7 | Confident | 84.8 | Confident | 113 Ų | 113 | 54 Ų | 54 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 101.8 | 178.2 | -176.2 | 57 | 0 | 0 | 0 | 110.4 | D540 | D540-N542 WeakPolarHBondContact OD1-CB 3.47Å; D540-N542 PolarHBondContact OD1-N 2.66Å |
| 543 | G | 71.1 | Confident | 84.6 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 62% | 0.619 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 121 | -16.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S507 L541 | S507-G543 VanDerWaalsContact CB-C 3.49Å; S507-G543 WeakPolarHBondContact OG-CA 3.39Å; S507-G543 PolarHBondContact OG-N 2.91Å; L541-G543 PolarHBondContact O-N 2.8Å |
| 544 | K | 80.7 | Confident | 84.3 | Confident | 53 Ų | 53 | 60.3 Ų | 60.3 | 23% | 0.23 | 34% | 0.342 | C | S | . | . | trans | -89.8 | 158.2 | -173.2 | -64.2 | -165.1 | 159.4 | -73.8 | 0 | 114.1 | S507 V539 D540 L541 E548 V549 L552 | S507-K544 PolarHBondContact OG-N 2.89Å; S507-K544 PolarHBondContact OG-O 2.98Å; V539-K544 HydrophobicContact CG1-CD 4.34Å; D540-K544 WeakPolarHBondContact O-CD 3.47Å; L541-K544 HydrophobicContact CD2-CD 4.35Å; L541-K544 WeakPolarHBondContact O-CB 3.49Å; L541-K544 PolarHBondContact O-N 2.76Å; K544-E548 WeakPolarHBondContact CA-OE2 3.46Å; K544-E548 HydrophobicContact CB-CB 4.41Å; K544-E548 VanDerWaalsContact CB-OE2 3.27Å; K544-E548 WeakPolarHBondContact CB-OE2 3.32Å; K544-E548 IonicContact NZ-OE1 2.63Å; K544-E548 PolarHBondContact NZ-OE1 2.85Å; K544-E548 IonicContact NZ-OE2 2.72Å; K544-V549 HydrophobicContact CB-CG2 4.02Å; K544-L552 HydrophobicContact CD-CD1 4.16Å | ||
| 545 | S | 82.9 | Confident | 84 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | trans | -84.7 | 159.6 | 167.9 | 99.9 | 0 | 0 | 0 | 0 | 111.3 | E547 E548 V549 | S545-E547 VanDerWaalsContact CB-OE2 3.24Å; S545-E547 WeakPolarHBondContact CB-OE2 3.31Å; S545-E547 PolarHBondContact O-N 2.93Å; S545-E547 PolarHBondContact OG-N 3.09Å; S545-E547 PolarHBondContact OG-OE2 2.94Å; S545-E548 PolarHBondContact N-OE2 3.33Å; S545-E548 PolarHBondContact O-N 3.09Å; S545-E548 PolarHBondContact OG-N 3Å; S545-V549 WeakPolarHBondContact O-CG2 3.3Å; S545-V549 PolarHBondContact O-N 3.43Å | ||
| 546 | Q | 84.4 | Confident | 83.5 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.4 | -35.1 | 178.2 | -175.3 | 176.7 | -104.1 | 0 | 0 | 111.4 | I497 V549 V550 | I497-Q546 HydrophobicContact CD1-CG 4.25Å; Q546-V549 PolarHBondContact O-N 3.04Å; Q546-V550 HydrophobicContact CG-CG2 4.44Å; Q546-V550 WeakPolarHBondContact O-CG2 3.32Å; Q546-V550 PolarHBondContact O-N 3.36Å |
| 547 | E | 84 | Confident | 83.1 | Confident | 125 Ų | 125 | 64.2 Ų | 64.2 | 58% | 0.584 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | -179.4 | -58 | 62.5 | -129.5 | 0 | 0 | 111 | S545 V549 V550 A551 | S545-E547 VanDerWaalsContact CB-OE2 3.24Å; S545-E547 WeakPolarHBondContact CB-OE2 3.31Å; S545-E547 PolarHBondContact O-N 2.93Å; S545-E547 PolarHBondContact OG-N 3.09Å; S545-E547 PolarHBondContact OG-OE2 2.94Å; E547-V549 VanDerWaalsContact C-N 3.31Å; E547-V549 PolarHBondContact O-N 2.99Å; E547-V550 PolarHBondContact O-N 3.09Å; E547-A551 WeakPolarHBondContact O-CB 3.43Å; E547-A551 PolarHBondContact O-N 2.92Å |
| 548 | E | 84.9 | Confident | 82.6 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 173.6 | -68.3 | -174 | 96.3 | 0 | 0 | 111.9 | K544 S545 A551 L552 | K544-E548 WeakPolarHBondContact CA-OE2 3.46Å; K544-E548 HydrophobicContact CB-CB 4.41Å; K544-E548 VanDerWaalsContact CB-OE2 3.27Å; K544-E548 WeakPolarHBondContact CB-OE2 3.32Å; K544-E548 IonicContact NZ-OE1 2.63Å; K544-E548 PolarHBondContact NZ-OE1 2.85Å; K544-E548 IonicContact NZ-OE2 2.72Å; S545-E548 PolarHBondContact N-OE2 3.33Å; S545-E548 PolarHBondContact O-N 3.09Å; S545-E548 PolarHBondContact OG-N 3Å; E548-A551 WeakPolarHBondContact O-CB 3.35Å; E548-A551 PolarHBondContact O-N 3.4Å; E548-L552 WeakPolarHBondContact O-CG 3.35Å; E548-L552 PolarHBondContact O-N 2.85Å |
| 549 | V | 86.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -73 | -39.1 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | I497 I510 L533 V536 L541 K544 S545 Q546 E547 A551 L552 L553 | I497-V549 HydrophobicContact CD1-CB 4.26Å; I497-V549 HydrophobicContact CD1-CG1 3.9Å; I510-V549 HydrophobicContact CD1-CB 3.86Å; I510-V549 HydrophobicContact CD1-CG1 4.12Å; I510-V549 HydrophobicContact CD1-CG2 3.42Å; I510-V549 VanDerWaalsContact CD1-CG2 3.42Å; L533-V549 HydrophobicContact CD2-CG1 4.37Å; V536-V549 HydrophobicContact CG2-CG1 4.25Å; L541-V549 HydrophobicContact CB-CG2 4.37Å; L541-V549 HydrophobicContact CD1-CB 4.49Å; L541-V549 HydrophobicContact CD1-CG1 3.61Å; L541-V549 HydrophobicContact CD1-CG2 4.03Å; L541-V549 HydrophobicContact CD2-CB 4.41Å; L541-V549 HydrophobicContact CD2-CG1 3.98Å; L541-V549 HydrophobicContact CD2-CG2 3.63Å; L541-V549 HydrophobicContact CG-CG1 4.42Å; L541-V549 HydrophobicContact CG-CG2 4.21Å; K544-V549 HydrophobicContact CB-CG2 4.02Å; S545-V549 WeakPolarHBondContact O-CG2 3.3Å; S545-V549 PolarHBondContact O-N 3.43Å; Q546-V549 PolarHBondContact O-N 3.04Å; E547-V549 VanDerWaalsContact C-N 3.31Å; E547-V549 PolarHBondContact O-N 2.99Å; V549-A551 VanDerWaalsContact C-N 3.27Å; V549-A551 PolarHBondContact O-N 2.83Å; V549-L552 PolarHBondContact O-N 2.85Å; V549-L553 HydrophobicContact CG1-CD1 4.15Å; V549-L553 WeakPolarHBondContact O-CB 3.42Å; V549-L553 VanDerWaalsContact O-CG 3.3Å; V549-L553 WeakPolarHBondContact O-CG 3.36Å; V549-L553 PolarHBondContact O-N 2.82Å |
| 550 | V | 88 | Confident | 82.3 | Confident | 38 Ų | 38 | 68 Ų | 68 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 168.6 | 171 | 0 | 0 | 0 | 0 | 110.6 | I497 Q546 E547 R554 | I497-V550 HydrophobicContact CD1-CG2 3.96Å; I497-V550 HydrophobicContact CG1-CG2 4.33Å; Q546-V550 HydrophobicContact CG-CG2 4.44Å; Q546-V550 WeakPolarHBondContact O-CG2 3.32Å; Q546-V550 PolarHBondContact O-N 3.36Å; E547-V550 PolarHBondContact O-N 3.09Å; V550-R554 HydrophobicContact CG1-CG 4.29Å; V550-R554 VanDerWaalsContact CG1-CZ 3.48Å; V550-R554 VanDerWaalsContact O-CB 3.28Å; V550-R554 WeakPolarHBondContact O-CB 3.41Å; V550-R554 WeakPolarHBondContact O-CG 3.21Å; V550-R554 PolarHBondContact O-N 2.87Å |
| 551 | A | 85 | Confident | 82.3 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E547 E548 V549 L553 R554 A555 | E547-A551 WeakPolarHBondContact O-CB 3.43Å; E547-A551 PolarHBondContact O-N 2.92Å; E548-A551 WeakPolarHBondContact O-CB 3.35Å; E548-A551 PolarHBondContact O-N 3.4Å; V549-A551 VanDerWaalsContact C-N 3.27Å; V549-A551 PolarHBondContact O-N 2.83Å; A551-L553 PolarHBondContact O-N 3.35Å; A551-R554 PolarHBondContact O-N 3.45Å; A551-A555 WeakPolarHBondContact O-CB 3.42Å; A551-A555 PolarHBondContact O-N 2.79Å |
| 552 | L | 86.6 | Confident | 82.6 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 27% | 0.272 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 175.6 | -71.8 | 167 | 0 | 0 | 0 | 112.3 | V536 V539 L541 K544 E548 V549 R554 A555 | V536-L552 HydrophobicContact CG1-CB 4.17Å; V539-L552 HydrophobicContact CB-CD1 4.26Å; V539-L552 HydrophobicContact CG1-CD1 3.94Å; V539-L552 HydrophobicContact CG2-CD2 4.48Å; L541-L552 HydrophobicContact CD2-CD1 4.47Å; K544-L552 HydrophobicContact CD-CD1 4.16Å; E548-L552 WeakPolarHBondContact O-CG 3.35Å; E548-L552 PolarHBondContact O-N 2.85Å; V549-L552 PolarHBondContact O-N 2.85Å; L552-R554 VanDerWaalsContact C-N 3.32Å; L552-R554 PolarHBondContact O-N 3.07Å; L552-A555 PolarHBondContact O-N 2.89Å |
| 553 | L | 87 | Confident | 83.1 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.9 | -33.3 | 177.2 | -68.1 | 169.8 | 0 | 0 | 0 | 112.4 | L493 F495 I497 V536 V549 A551 V562 L564 | L493-L553 HydrophobicContact CD1-CB 4.15Å; L493-L553 HydrophobicContact CD1-CD2 3.72Å; F495-L553 HydrophobicContact CE2-CD1 4.17Å; F495-L553 HydrophobicContact CZ-CD1 4.15Å; F495-L553 HydrophobicContact CZ-CD2 3.99Å; I497-L553 HydrophobicContact CD1-CD1 4.23Å; I497-L553 HydrophobicContact CG2-CD1 4.46Å; V536-L553 HydrophobicContact CB-CD2 4.49Å; V536-L553 HydrophobicContact CG1-CD2 3.64Å; V536-L553 HydrophobicContact CG1-CG 4.16Å; V536-L553 HydrophobicContact CG2-CD2 3.93Å; V536-L553 HydrophobicContact CG2-CG 4.32Å; V549-L553 HydrophobicContact CG1-CD1 4.15Å; V549-L553 WeakPolarHBondContact O-CB 3.42Å; V549-L553 VanDerWaalsContact O-CG 3.3Å; V549-L553 WeakPolarHBondContact O-CG 3.36Å; V549-L553 PolarHBondContact O-N 2.82Å; A551-L553 PolarHBondContact O-N 3.35Å; L553-V562 HydrophobicContact CD2-CG1 4.12Å; L553-L564 HydrophobicContact CD2-CD2 3.86Å |
| 554 | R | 84.9 | Confident | 84.1 | Confident | 188 Ų | 188 | 62.8 Ų | 62.8 | 71% | 0.709 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -77 | -37.5 | 175.8 | -75.5 | 176.9 | -179.4 | 176.6 | 2.1 | 113.1 | K488 V550 A551 L552 T556 | K488-R554 PolarHBondContact NZ-O 3.13Å; V550-R554 HydrophobicContact CG1-CG 4.29Å; V550-R554 VanDerWaalsContact CG1-CZ 3.48Å; V550-R554 VanDerWaalsContact O-CB 3.28Å; V550-R554 WeakPolarHBondContact O-CB 3.41Å; V550-R554 WeakPolarHBondContact O-CG 3.21Å; V550-R554 PolarHBondContact O-N 2.87Å; A551-R554 PolarHBondContact O-N 3.45Å; L552-R554 VanDerWaalsContact C-N 3.32Å; L552-R554 PolarHBondContact O-N 3.07Å; R554-T556 VanDerWaalsContact C-N 3.27Å; R554-T556 PolarHBondContact O-N 2.82Å |
| 555 | A | 82.1 | Confident | 84.6 | Confident | 82 Ų | 82 | 62 Ų | 62 | 68% | 0.678 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.9 | -18.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A551 L552 | A551-A555 WeakPolarHBondContact O-CB 3.42Å; A551-A555 PolarHBondContact O-N 2.79Å; L552-A555 PolarHBondContact O-N 2.89Å |
| 556 | T | 81.1 | Confident | 85 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -62 | 131.2 | 170.2 | -57 | 0 | 0 | 0 | 0 | 109.5 | K488 R554 V562 | K488-T556 VanDerWaalsContact CD-O 3.3Å; K488-T556 WeakPolarHBondContact CD-O 3.27Å; K488-T556 PolarHBondContact NZ-O 2.84Å; R554-T556 VanDerWaalsContact C-N 3.27Å; R554-T556 PolarHBondContact O-N 2.82Å; T556-V562 HydrophobicContact CG2-CG2 3.64Å; T556-V562 WeakPolarHBondContact OG1-CG2 3.27Å |
| 557 | P | 81.3 | Confident | 85.2 | Confident | 91 Ų | 91 | 59 Ų | 59 | 59% | 0.591 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 157 | 179.2 | 25.7 | -35.3 | 0 | 0 | 0 | 112 | G560 | P557-G560 WeakPolarHBondContact O-CA 3.34Å; P557-G560 PolarHBondContact O-N 3.28Å |
| 558 | M | 73.7 | Confident | 85.4 | Confident | 137 Ų | 137 | 56.3 Ų | 56.3 | 68% | 0.675 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 143.9 | 168.3 | -66.6 | 171.9 | 72.7 | 0 | 0 | 109.4 | G560 | M558-G560 PolarHBondContact O-N 2.84Å; M558-G560 VanDerWaalsContact O-N 3.13Å |
| 559 | D | 76.7 | Confident | 84.7 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -4.2 | -167.6 | -145.9 | 54.7 | 0 | 0 | 0 | 115.9 | K487 K488 | K487-D559 VanDerWaalsContact CE-O 3.28Å; K487-D559 WeakPolarHBondContact CE-O 3.24Å; K487-D559 WeakPolarHBondContact CE-OD1 3.34Å; K487-D559 WeakPolarHBondContact CE-OD2 3.35Å; K487-D559 WeakPolarHBondContact CG-O 3.34Å; K487-D559 IonicContact NZ-OD1 2.74Å; K487-D559 PolarHBondContact NZ-OD1 2.82Å; K487-D559 IonicContact NZ-OD2 3.61Å; K487-D559 PolarHBondContact NZ-OD2 2.99Å; K488-D559 WeakPolarHBondContact O-CA 3.24Å; K488-D559 PolarHBondContact O-N 3.49Å |
| 560 | G | 81.6 | Confident | 83.3 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | trans | -71.7 | 150 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K488 P557 M558 | K488-G560 PolarHBondContact N-O 2.88Å; P557-G560 WeakPolarHBondContact O-CA 3.34Å; P557-G560 PolarHBondContact O-N 3.28Å; M558-G560 PolarHBondContact O-N 2.84Å; M558-G560 VanDerWaalsContact O-N 3.13Å | ||
| 561 | M | 84.6 | Confident | 81 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 47% | 0.468 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135.3 | 176.5 | -71.4 | -64.8 | -144.7 | 0 | 0 | 112.1 | Q485 L486 K487 | Q485-M561 HydrophobicContact CG-CB 4.08Å; Q485-M561 HydrophobicContact CG-CE 4.04Å; Q485-M561 HydrophobicContact CG-CG 4.18Å; Q485-M561 HydrophobicContact CG-SD 3.69Å; L486-M561 WeakPolarHBondContact O-CA 3.4Å; K487-M561 HydrophobicContact CB-SD 3.67Å; K487-M561 HydrophobicContact CG-SD 3.84Å |
| 562 | V | 89.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.5 | 173.8 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | Q485 L486 L493 V536 L553 T556 L564 | Q485-V562 WeakPolarHBondContact CA-O 3.45Å; L486-V562 PolarHBondContact N-O 2.77Å; L486-V562 PolarHBondContact O-N 3.33Å; L493-V562 HydrophobicContact CD1-CG2 4.01Å; L493-V562 HydrophobicContact CD2-CB 4.25Å; L493-V562 HydrophobicContact CD2-CG2 3.75Å; L493-V562 HydrophobicContact CG-CG2 4.5Å; V536-V562 HydrophobicContact CG1-CG1 3.99Å; L553-V562 HydrophobicContact CD2-CG1 4.12Å; T556-V562 HydrophobicContact CG2-CG2 3.64Å; T556-V562 WeakPolarHBondContact OG1-CG2 3.27Å; V562-L564 HydrophobicContact CG1-CD2 3.56Å; V562-L564 HydrophobicContact CG1-CG 4.16Å |
| 563 | N | 89.1 | Confident | 76.1 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 32% | 0.321 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 104.5 | 176.1 | -63.8 | -10.1 | 0 | 0 | 0 | 109.7 | Q485 S537 | Q485-N563 WeakPolarHBondContact CG-OD1 3.46Å; Q485-N563 PolarHBondContact NE2-OD1 2.67Å; S537-N563 PolarHBondContact N-O 2.82Å |
| 564 | L | 92.2 | Very high | 73.6 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121.1 | 177.1 | -54.7 | 177.6 | 0 | 0 | 0 | 109.6 | N483 I484 L486 F495 L527 L533 E535 V536 L553 V562 | N483-L564 CarbonylContact C-O 3.6Å; N483-L564 WeakPolarHBondContact CA-O 3.41Å; N483-L564 PolarHBondContact ND2-O 3.06Å; I484-L564 PolarHBondContact N-O 2.89Å; I484-L564 PolarHBondContact O-N 3.38Å; L486-L564 HydrophobicContact CD1-CD1 3.73Å; L486-L564 HydrophobicContact CG-CD1 4.27Å; F495-L564 HydrophobicContact CE1-CD1 3.78Å; F495-L564 HydrophobicContact CZ-CD1 3.73Å; F495-L564 HydrophobicContact CZ-CD2 4.24Å; L527-L564 HydrophobicContact CD1-CD1 4.35Å; L527-L564 HydrophobicContact CD2-CD1 4.36Å; L533-L564 HydrophobicContact CD1-CB 3.86Å; L533-L564 HydrophobicContact CD1-CD2 3.97Å; L533-L564 HydrophobicContact CD1-CG 4.36Å; E535-L564 WeakPolarHBondContact O-CA 3.37Å; V536-L564 HydrophobicContact CG1-CD2 4.47Å; V536-L564 HydrophobicContact CG2-CD2 3.94Å; L553-L564 HydrophobicContact CD2-CD2 3.86Å; V562-L564 HydrophobicContact CG1-CD2 3.56Å; V562-L564 HydrophobicContact CG1-CG 4.16Å |
| 565 | L | 90.8 | Very high | 71.2 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 18% | 0.183 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.5 | 161.9 | -172.1 | 70 | 0 | 0 | 0 | 108.2 | N483 L534 E535 | N483-L565 HydrophobicContact CB-CD1 4.45Å; L534-L565 HydrophobicContact CB-CB 4.44Å; L534-L565 HydrophobicContact CB-CD2 4.2Å; L534-L565 HydrophobicContact CB-CG 4.33Å; L534-L565 HydrophobicContact CD1-CD2 4.26Å; L534-L565 PolarHBondContact N-O 3.02Å; E535-L565 HydrophobicContact CB-CB 3.69Å; E535-L565 VanDerWaalsContact CD-CD2 3.49Å; E535-L565 HydrophobicContact CG-CB 3.91Å; E535-L565 HydrophobicContact CG-CD2 3.89Å; E535-L565 PolarHBondContact N-O 2.88Å; E535-L565 PolarHBondContact O-N 3.48Å; E535-L565 WeakPolarHBondContact OE1-CD2 3.48Å |
| 566 | V | 91.8 | Very high | 69 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150 | 179.8 | -75.9 | 0 | 0 | 0 | 0 | 111.4 | S481 F482 I484 L527 D531 R532 L533 | S481-V566 CarbonylContact C-O 3.57Å; S481-V566 VanDerWaalsContact CA-O 3.22Å; S481-V566 WeakPolarHBondContact CA-O 3.42Å; F482-V566 HydrophobicContact CD1-CG2 4.47Å; F482-V566 HydrophobicContact CD2-CG2 3.48Å; F482-V566 VanDerWaalsContact CD2-CG2 3.48Å; F482-V566 HydrophobicContact CE1-CG2 4.26Å; F482-V566 HydrophobicContact CE2-CB 4.41Å; F482-V566 HydrophobicContact CE2-CG2 3.25Å; F482-V566 HydrophobicContact CG-CG2 4.08Å; F482-V566 HydrophobicContact CZ-CB 4.39Å; F482-V566 HydrophobicContact CZ-CG2 3.64Å; F482-V566 PolarHBondContact N-O 3.26Å; F482-V566 WeakPolarHBondContact O-CG2 3.47Å; F482-V566 PolarHBondContact O-N 2.83Å; I484-V566 HydrophobicContact CD1-CG2 3.81Å; I484-V566 HydrophobicContact CG1-CG2 4.22Å; L527-V566 HydrophobicContact CD1-CG1 3.84Å; L527-V566 HydrophobicContact CD1-CG2 4.46Å; D531-V566 HydrophobicContact CB-CB 4.35Å; D531-V566 HydrophobicContact CB-CG1 4.43Å; R532-V566 CarbonylContact O-C 3.53Å; R532-V566 VanDerWaalsContact O-CA 3.27Å; R532-V566 WeakPolarHBondContact O-CA 3.45Å; L533-V566 HydrophobicContact CD1-CG1 3.52Å |
| 567 | L | 88.3 | Confident | 66.9 | Low | 43 Ų | 43 | 91.2 Ų | 91.2 | 23% | 0.225 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 113.9 | 177.5 | -179.6 | 78.3 | 0 | 0 | 0 | 108.8 | G479 R532 L534 | G479-L567 WeakPolarHBondContact O-CD1 3.34Å; R532-L567 HydrophobicContact CB-CB 4.34Å; R532-L567 PolarHBondContact N-O 2.83Å; R532-L567 PolarHBondContact O-N 3.42Å; L534-L567 HydrophobicContact CD1-CB 3.83Å; L534-L567 HydrophobicContact CD2-CB 4.34Å; L534-L567 HydrophobicContact CG-CB 3.97Å |
| 568 | R | 88 | Confident | 64.6 | Low | 69 Ų | 69 | 91.6 Ų | 91.6 | 26% | 0.26 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120.2 | 168.7 | -167.6 | 166.8 | -67.2 | 148.1 | 3.8 | 107.7 | G479 R480 F482 R526 D531 E570 | G479-R568 WeakPolarHBondContact CA-O 3.49Å; R480-R568 PolarHBondContact N-O 2.93Å; R480-R568 PolarHBondContact O-N 3.35Å; F482-R568 HydrophobicContact CE1-CB 3.5Å; F482-R568 HydrophobicContact CZ-CB 3.83Å; F482-R568 VanDerWaalsContact CZ-CZ 3.43Å; R526-R568 PolarHBondContact O-NH2 3.25Å; D531-R568 IonicContact OD1-CZ 3.54Å; D531-R568 IonicContact OD1-NE 2.82Å; D531-R568 PolarHBondContact OD1-NE 3.05Å; D531-R568 IonicContact OD1-NH2 3.23Å; D531-R568 PolarHBondContact OD1-NH2 2.81Å; D531-R568 IonicContact OD2-CZ 3.35Å; D531-R568 IonicContact OD2-NE 2.67Å; D531-R568 IonicContact OD2-NH2 3.63Å; D531-R568 PolarHBondContact OD2-NH2 3.49Å; R568-E570 PolarHBondContact O-N 2.78Å |
| 569 | Q | 70.8 | Confident | 62.9 | Low | 147 Ų | 147 | 95.6 Ų | 95.6 | 69% | 0.687 | 48% | 0.479 | S | S | * | . | trans | -68.2 | 122 | 167 | 177.8 | 171.7 | -39.6 | 0 | 0 | 107 | ||||
| 570 | E | 57 | Low | 60.5 | Low | 73 Ų | 73 | 98.7 Ų | 98.7 | 34% | 0.341 | 49% | 0.49 | S | S | . | . | trans | -93.7 | 112.1 | 177.1 | -60.5 | -144.9 | 144.7 | 0 | 0 | 109.6 | R480 R568 T572 | R480-E570 VanDerWaalsContact CD-OE1 3.29Å; R480-E570 WeakPolarHBondContact CD-OE1 3.35Å; R480-E570 HydrophobicContact CG-CG 4.2Å; R480-E570 IonicContact CZ-OE1 3.13Å; R480-E570 VanDerWaalsContact CZ-OE1 3.25Å; R480-E570 IonicContact CZ-OE2 3.65Å; R480-E570 IonicContact NE-OE1 3.7Å; R480-E570 PolarHBondContact NE-OE1 2.88Å; R480-E570 IonicContact NE-OE2 3.97Å; R480-E570 PolarHBondContact NE-OE2 2.8Å; R480-E570 IonicContact NH2-OE1 2.77Å; R480-E570 PolarHBondContact NH2-OE1 3Å; R480-E570 IonicContact NH2-OE2 2.66Å; R480-E570 PolarHBondContact NH2-OE2 3.37Å; R568-E570 PolarHBondContact O-N 2.78Å; E570-T572 PolarHBondContact O-N 3.18Å; E570-T572 PolarHBondContact O-OG1 2.75Å | ||
| 571 | D | 38.8 | Very low | 58.4 | Low | 134 Ų | 134 | 104.9 Ų | 104.9 | 72% | 0.717 | 52% | 0.52 | S | S | * | . | trans | -67.6 | 88 | 172.5 | -70.5 | -37.9 | 0 | 0 | 0 | 109.2 | L573 | D571-L573 PolarHBondContact O-N 2.9Š| ||
| 572 | T | 34.5 | Very low | 56.3 | Low | 73 Ų | 73 | 107 Ų | 107 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | trans | -75.5 | 68.4 | 175.8 | 23.9 | 0 | 0 | 0 | 0 | 110.4 | K477 E570 L574 | K477-T572 PolarHBondContact NZ-OG1 3.32Å; E570-T572 PolarHBondContact O-N 3.18Å; E570-T572 PolarHBondContact O-OG1 2.75Å; T572-L574 PolarHBondContact O-N 2.85Å | ||
| 573 | L | 34.3 | Very low | 54 | Low | 163 Ų | 163 | 114.2 Ų | 114.2 | 85% | 0.853 | 57% | 0.571 | S | S | * | * | trans | -78.5 | 21.2 | 151.8 | -65 | -177.1 | 0 | 0 | 0 | 111.7 | D571 | D571-L573 PolarHBondContact O-N 2.9Š| ||
| 574 | L | 34.8 | Very low | 51.7 | Low | 143 Ų | 143 | 115.5 Ų | 115.5 | 75% | 0.749 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -111.6 | 110.1 | 162.4 | -66.4 | 177.2 | 0 | 0 | 0 | 108.2 | T572 R576 | T572-L574 PolarHBondContact O-N 2.85Å; L574-R576 PolarHBondContact O-N 3.44Å; L574-R576 VanDerWaalsContact O-N 3.1Å |
| 575 | P | 35.4 | Very low | 49.6 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 83% | 0.825 | 61% | 0.607 | S | S | * | * | trans | -72.4 | 100.3 | 169.5 | -11.3 | 27.6 | 0 | 0 | 0 | 109.6 | ||||
| 576 | R | 35.3 | Very low | 47.8 | Very low | 209 Ų | 209 | 121 Ų | 121 | 79% | 0.789 | 61% | 0.614 | S | S | * | * | trans | 59.5 | 117.7 | 151.8 | -176.1 | -176.2 | -170.5 | 158.5 | 1.6 | 117 | L574 V578 | L574-R576 PolarHBondContact O-N 3.44Å; L574-R576 VanDerWaalsContact O-N 3.1Å; R576-V578 HydrophobicContact CG-CG1 4.38Å; R576-V578 PolarHBondContact O-N 2.82Å | ||
| 577 | E | 36.8 | Very low | 45.9 | Very low | 200 Ų | 200 | 122.4 Ų | 122.4 | 94% | 0.935 | 62% | 0.623 | S | S | * | * | trans | -54.6 | 108.4 | 157.9 | -66.7 | 178.2 | 142.1 | 0 | 0 | 110.6 | ||||
| 578 | V | 32.1 | Very low | 44 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 60% | 0.6 | 65% | 0.654 | S | S | * | * | trans | -114.5 | 135.6 | 152.3 | -79.2 | 0 | 0 | 0 | 0 | 106.6 | R576 Q580 | R576-V578 HydrophobicContact CG-CG1 4.38Å; R576-V578 PolarHBondContact O-N 2.82Å; V578-Q580 VanDerWaalsContact C-N 3.34Å; V578-Q580 PolarHBondContact O-N 2.85Å; V578-Q580 VanDerWaalsContact O-N 3.07Å | ||
| 579 | K | 39.2 | Very low | 42.3 | Very low | 221 Ų | 221 | 129.6 Ų | 129.6 | 96% | 0.961 | 67% | 0.674 | S | S | * | * | trans | -77.9 | 89.8 | 170.4 | -70.8 | -172.6 | 176.1 | -170.6 | 0 | 108.1 | ||||
| 580 | Q | 25.6 | Very low | 41.6 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 78% | 0.78 | 66% | 0.66 | S | S | * | * | trans | -153.3 | 146.5 | 167.7 | -158.6 | 156.7 | 1.7 | 0 | 0 | 109.4 | V578 | V578-Q580 VanDerWaalsContact C-N 3.34Å; V578-Q580 PolarHBondContact O-N 2.85Å; V578-Q580 VanDerWaalsContact O-N 3.07Å | ||
| 581 | D | 37.6 | Very low | 42 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | trans | -82.2 | 165.7 | -164.9 | -44.8 | -90.6 | 0 | 0 | 0 | 113.2 | ||||
| 582 | D | 40.9 | Very low | 43.7 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 75% | 0.754 | 64% | 0.643 | S | S | * | * | trans | 44.7 | 97.9 | 161 | -59 | -27.5 | 0 | 0 | 0 | 119.4 | ||||
| 583 | D | 41 | Very low | 46 | Very low | 150 Ų | 150 | 119.8 Ų | 119.8 | 80% | 0.802 | 63% | 0.631 | S | S | * | * | trans | -143.9 | 34.7 | 140.1 | -146.4 | 0.9 | 0 | 0 | 0 | 112.8 | V585 | D583-V585 PolarHBondContact O-N 2.8Š| ||
| 584 | T | 41 | Very low | 48.5 | Very low | 87 Ų | 87 | 115.3 Ų | 115.3 | 53% | 0.534 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -67.8 | 109.6 | 146 | 46.5 | 0 | 0 | 0 | 0 | 106.4 | L586 | T584-L586 VanDerWaalsContact C-N 3.32Å; T584-L586 PolarHBondContact O-N 3.22Å |
| 585 | V | 48 | Very low | 51.1 | Low | 87 Ų | 87 | 110.4 Ų | 110.4 | 53% | 0.527 | 58% | 0.579 | S | S | . | * | trans | -62.5 | 103.4 | 167.8 | -172.3 | 0 | 0 | 0 | 0 | 106.6 | D583 F594 | D583-V585 PolarHBondContact O-N 2.8Å; V585-F594 HydrophobicContact CB-CD2 4.22Å; V585-F594 HydrophobicContact CG1-CD2 3.88Å; V585-F594 HydrophobicContact CG1-CE2 4.39Å; V585-F594 WeakPolarHBondContact O-CD2 3.43Å; V585-F594 PolarHBondContact O-N 3.4Å | ||
| 586 | L | 51.6 | Low | 53.7 | Low | 64 Ų | 64 | 108.3 Ų | 108.3 | 34% | 0.335 | 56% | 0.564 | S | S | . | * | B | Isolated β-bridge | trans | -88.3 | 150.9 | 170 | -62.3 | 176.9 | 0 | 0 | 0 | 108.3 | T584 R592 | T584-L586 VanDerWaalsContact C-N 3.32Å; T584-L586 PolarHBondContact O-N 3.22Å; L586-R592 WeakPolarHBondContact CA-O 3.03Å; L586-R592 WeakPolarHBondContact CD2-O 3.39Å |
| 587 | T | 51.9 | Low | 56.2 | Low | 30 Ų | 30 | 99 Ų | 99 | 18% | 0.184 | 53% | 0.53 | C | S | . | . | trans | -58 | 146 | 159.6 | -50.7 | 0 | 0 | 0 | 0 | 108.3 | D589 G590 R592 F594 | T587-D589 PolarHBondContact O-N 3.33Å; T587-G590 PolarHBondContact O-N 2.98Å; T587-R592 PolarHBondContact N-O 3.36Å; T587-F594 WeakPolarHBondContact OG1-CZ 3.45Å | ||
| 588 | P | 50.4 | Low | 58.6 | Low | 136 Ų | 136 | 93.9 Ų | 93.9 | 88% | 0.883 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -22.7 | -177.9 | -32.3 | 37.4 | 0 | 0 | 0 | 116.1 | G590 | P588-G590 VanDerWaalsContact C-N 3.28Å; P588-G590 PolarHBondContact O-N 3.41Å |
| 589 | D | 50.6 | Low | 61.3 | Low | 127 Ų | 127 | 89.3 Ų | 89.3 | 68% | 0.679 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -0.9 | 174 | -48.6 | -41.7 | 0 | 0 | 0 | 114.6 | T587 T591 | T587-D589 PolarHBondContact O-N 3.33Å; D589-T591 PolarHBondContact O-N 2.7Å |
| 590 | G | 57.6 | Low | 63.4 | Low | 39 Ų | 39 | 81.4 Ų | 81.4 | 40% | 0.402 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 69.2 | -2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | T587 P588 | T587-G590 PolarHBondContact O-N 2.98Å; P588-G590 VanDerWaalsContact C-N 3.28Å; P588-G590 PolarHBondContact O-N 3.41Å |
| 591 | T | 64.2 | Low | 65.9 | Low | 71 Ų | 71 | 74.2 Ų | 74.2 | 44% | 0.436 | 42% | 0.416 | S | S | . | . | trans | -90.9 | -5 | -167.4 | 53.6 | 0 | 0 | 0 | 0 | 116.4 | D589 | D589-T591 PolarHBondContact O-N 2.7Š| ||
| 592 | R | 74.7 | Confident | 67.1 | Low | 69 Ų | 69 | 72.2 Ų | 72.2 | 26% | 0.26 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 134.1 | -175 | -50.9 | -179.8 | -156.7 | -162.9 | 6.7 | 112 | L586 T587 A689 R690 | L586-R592 WeakPolarHBondContact CA-O 3.03Å; L586-R592 WeakPolarHBondContact CD2-O 3.39Å; T587-R592 PolarHBondContact N-O 3.36Å; R592-A689 HydrophobicContact CB-CB 4.38Å; R592-R690 CarbonylContact C-O 3.55Å; R592-R690 WeakPolarHBondContact CA-O 3.28Å; R592-R690 WeakPolarHBondContact CB-O 3.44Å |
| 593 | E | 82.9 | Confident | 67.8 | Low | 41 Ų | 41 | 73.2 Ų | 73.2 | 19% | 0.192 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 136.9 | 167.6 | 58.1 | 176 | -177 | 0 | 0 | 110 | L595 A689 R690 L692 | E593-L595 HydrophobicContact CG-CD1 4.37Å; E593-L595 HydrophobicContact CG-CD2 4.5Å; E593-L595 HydrophobicContact CG-CG 4.24Å; E593-A689 WeakPolarHBondContact O-CA 3.48Å; E593-R690 HydrophobicContact CG-CB 3.83Å; E593-R690 WeakPolarHBondContact CG-O 3.28Å; E593-R690 PolarHBondContact N-O 3Å; E593-R690 PolarHBondContact O-N 3.08Å; E593-R690 VanDerWaalsContact OE1-CD 3.32Å; E593-R690 WeakPolarHBondContact OE1-CD 3.32Å; E593-R690 IonicContact OE1-NH1 2.73Å; E593-L692 HydrophobicContact CB-CD2 4.27Å; E593-L692 HydrophobicContact CG-CD2 3.94Å; E593-L692 HydrophobicContact CG-CG 4.49Å |
| 594 | F | 86.4 | Confident | 68 | Low | 69 Ų | 69 | 70.6 Ų | 70.6 | 30% | 0.303 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131 | 165.9 | -67.7 | -67.7 | 0 | 0 | 0 | 110.6 | V585 T587 I651 V688 A689 | V585-F594 HydrophobicContact CB-CD2 4.22Å; V585-F594 HydrophobicContact CG1-CD2 3.88Å; V585-F594 HydrophobicContact CG1-CE2 4.39Å; V585-F594 WeakPolarHBondContact O-CD2 3.43Å; V585-F594 PolarHBondContact O-N 3.4Å; T587-F594 WeakPolarHBondContact OG1-CZ 3.45Å; F594-I651 HydrophobicContact CD1-CG1 4.1Å; F594-I651 HydrophobicContact CE1-CD1 4.05Å; F594-I651 HydrophobicContact CE1-CG1 3.9Å; F594-I651 HydrophobicContact CE1-CG2 4.22Å; F594-V688 CarbonylContact C-O 3.48Å; F594-V688 VanDerWaalsContact CA-O 3.32Å; F594-V688 WeakPolarHBondContact CA-O 3.48Å; F594-A689 HydrophobicContact CD1-CB 3.79Å; F594-A689 HydrophobicContact CE1-CB 3.7Å |
| 595 | L | 88.9 | Confident | 68.5 | Low | 40 Ų | 40 | 70.1 Ų | 70.1 | 21% | 0.209 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.3 | -177.4 | -59.8 | 175.8 | 0 | 0 | 0 | 110.1 | E593 F597 V688 R690 | E593-L595 HydrophobicContact CG-CD1 4.37Å; E593-L595 HydrophobicContact CG-CD2 4.5Å; E593-L595 HydrophobicContact CG-CG 4.24Å; L595-F597 HydrophobicContact CB-CE1 4.01Å; L595-F597 HydrophobicContact CB-CE2 4.34Å; L595-F597 HydrophobicContact CB-CZ 3.73Å; L595-F597 HydrophobicContact CD1-CE1 4.42Å; L595-F597 HydrophobicContact CD1-CZ 3.83Å; L595-F597 HydrophobicContact CG-CZ 4.44Å; L595-V688 PolarHBondContact N-O 3Å; L595-V688 PolarHBondContact O-N 3.34Å; L595-R690 HydrophobicContact CD1-CB 4.39Å |
| 596 | T | 90.1 | Very high | 68.5 | Low | 83 Ų | 83 | 71.6 Ų | 71.6 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.9 | 176 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | Q685 L686 I687 | T596-Q685 HydrophobicContact CG2-CG 3.98Å; T596-L686 WeakPolarHBondContact CA-O 3.48Å; T596-I687 HydrophobicContact CG2-CG1 4.46Å |
| 597 | F | 88.2 | Confident | 68.6 | Low | 15 Ų | 15 | 71.7 Ų | 71.7 | 7% | 0.066 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.3 | 174.5 | -50.8 | -49 | 0 | 0 | 0 | 110 | L595 V599 R643 L644 Q685 L686 V688 | L595-F597 HydrophobicContact CB-CE1 4.01Å; L595-F597 HydrophobicContact CB-CE2 4.34Å; L595-F597 HydrophobicContact CB-CZ 3.73Å; L595-F597 HydrophobicContact CD1-CE1 4.42Å; L595-F597 HydrophobicContact CD1-CZ 3.83Å; L595-F597 HydrophobicContact CG-CZ 4.44Å; F597-V599 HydrophobicContact CB-CG2 4.18Å; F597-R643 HydrophobicContact CD1-CB 3.7Å; F597-R643 HydrophobicContact CE1-CB 3.6Å; F597-R643 HydrophobicContact CG-CB 4.34Å; F597-R643 HydrophobicContact CZ-CB 4.14Å; F597-R643 WeakPolarHBondContact CZ-O 3.41Å; F597-L644 HydrophobicContact CD2-CD1 4.02Å; F597-L644 HydrophobicContact CE2-CB 4.46Å; F597-L644 HydrophobicContact CE2-CD1 3.88Å; F597-Q685 CarbonylContact O-C 3.47Å; F597-Q685 VanDerWaalsContact O-CA 3.31Å; F597-Q685 WeakPolarHBondContact O-CA 3.12Å; F597-L686 PolarHBondContact N-O 2.92Å; F597-L686 PolarHBondContact O-N 2.91Å; F597-V688 HydrophobicContact CD2-CB 4.44Å; F597-V688 HydrophobicContact CD2-CG2 3.81Å; F597-V688 HydrophobicContact CE2-CB 4Å; F597-V688 HydrophobicContact CE2-CG1 4.28Å; F597-V688 HydrophobicContact CE2-CG2 3.79Å |
| 598 | E | 88.3 | Confident | 69.6 | Low | 92 Ų | 92 | 72.4 Ų | 72.4 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 108.1 | 171.5 | -175.1 | 171.1 | -152.7 | 0 | 0 | 106.9 | R643 M683 | E598-R643 PolarHBondContact O-NH2 3.01Å; E598-M683 HydrophobicContact CG-CB 4.26Å; E598-M683 HydrophobicContact CG-SD 4.49Å |
| 599 | V | 87.6 | Confident | 71.2 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.8 | -164.6 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | F597 L601 L609 A637 D641 M683 I684 L686 | F597-V599 HydrophobicContact CB-CG2 4.18Å; V599-L601 PolarHBondContact O-N 3.5Å; V599-L609 HydrophobicContact CB-CD1 4.3Å; V599-L609 HydrophobicContact CG1-CD1 3.9Å; V599-A637 HydrophobicContact CG1-CB 3.98Å; V599-D641 HydrophobicContact CG1-CB 4.09Å; V599-D641 HydrophobicContact CG2-CB 4.32Å; V599-M683 WeakPolarHBondContact O-CA 3.15Å; V599-I684 HydrophobicContact CB-CG2 4.05Å; V599-I684 PolarHBondContact N-O 3.22Å; V599-I684 PolarHBondContact O-N 3.24Å; V599-L686 HydrophobicContact CG2-CD1 4.42Å |
| 600 | P | 83.6 | Confident | 72.9 | Confident | 56 Ų | 56 | 60.1 Ų | 60.1 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127.2 | 176.5 | 26.1 | -33 | 0 | 0 | 0 | 111.4 | A637 G682 M683 | P600-A637 WeakPolarHBondContact O-CB 3.32Å; P600-G682 WeakPolarHBondContact CA-O 3.43Å; P600-M683 VanDerWaalsContact CA-SD 3.5Å; P600-M683 HydrophobicContact CB-CE 4.06Å; P600-M683 HydrophobicContact CB-SD 3.8Å |
| 601 | L | 77.7 | Confident | 74.4 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | trans | -103.8 | 94.4 | 172.2 | -67.7 | -172.9 | 0 | 0 | 0 | 109.1 | V599 L609 A637 M674 G682 I684 | V599-L601 PolarHBondContact O-N 3.5Å; L601-L609 HydrophobicContact CD2-CB 4.15Å; L601-L609 HydrophobicContact CD2-CD1 4.27Å; L601-A637 HydrophobicContact CD2-CB 3.88Å; L601-M674 HydrophobicContact CD1-CB 4.46Å; L601-M674 HydrophobicContact CD1-CG 4.25Å; L601-G682 PolarHBondContact N-O 3.39Å; L601-I684 HydrophobicContact CD1-CB 3.73Å; L601-I684 HydrophobicContact CD1-CD1 4.27Å; L601-I684 HydrophobicContact CD1-CG2 3.79Å; L601-I684 HydrophobicContact CD2-CG2 3.87Å; L601-I684 HydrophobicContact CG-CB 4.04Å; L601-I684 HydrophobicContact CG-CG2 3.67Å | ||
| 602 | N | 64.8 | Low | 75.5 | Confident | 103 Ų | 103 | 58 Ų | 58 | 55% | 0.551 | 36% | 0.363 | S | S | * | . | trans | -58.4 | 140.9 | 177 | -65.8 | 59.1 | 0 | 0 | 0 | 112.5 | S604 | N602-S604 PolarHBondContact O-N 3.41Š| ||
| 603 | D | 54.5 | Low | 76.2 | Confident | 161 Ų | 161 | 56 Ų | 56 | 86% | 0.861 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -10 | -179.1 | -34.1 | -30.6 | 0 | 0 | 0 | 115.5 | G605 | D603-G605 PolarHBondContact O-N 3.44Š|
| 604 | S | 44.8 | Very low | 76.4 | Confident | 95 Ų | 95 | 59.9 Ų | 59.9 | 66% | 0.664 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 3.1 | -172.5 | -44.3 | 0 | 0 | 0 | 0 | 115.6 | N602 S606 | N602-S604 PolarHBondContact O-N 3.41Å; S604-S606 WeakPolarHBondContact O-CB 3.43Å; S604-S606 PolarHBondContact O-N 3.37Å; S604-S606 PolarHBondContact O-OG 2.91Å |
| 605 | G | 51.6 | Low | 76.4 | Confident | 77 Ų | 77 | 58 Ų | 58 | 79% | 0.794 | 37% | 0.374 | S | S | * | . | trans | 62.6 | -6.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | D603 | D603-G605 PolarHBondContact O-N 3.44Š| ||
| 606 | S | 48 | Very low | 76 | Confident | 119 Ų | 119 | 58.9 Ų | 58.9 | 83% | 0.832 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -112 | -17.4 | -160.6 | -55.9 | 0 | 0 | 0 | 0 | 115.4 | S604 | S604-S606 WeakPolarHBondContact O-CB 3.43Å; S604-S606 PolarHBondContact O-N 3.37Å; S604-S606 PolarHBondContact O-OG 2.91Å |
| 607 | A | 54.5 | Low | 75.3 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -124.2 | -14 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | G610 | A607-G610 WeakPolarHBondContact O-CA 3.14Å; A607-G610 PolarHBondContact O-N 3.15Å |
| 608 | G | 73.1 | Confident | 74.6 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -142.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G610 | G608-G610 PolarHBondContact O-N 2.81Š|
| 609 | L | 84.3 | Confident | 73.3 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20 | 173.8 | -178.7 | 57.1 | 0 | 0 | 0 | 113 | V599 L601 V611 A637 A638 L670 M674 I684 L686 | V599-L609 HydrophobicContact CB-CD1 4.3Å; V599-L609 HydrophobicContact CG1-CD1 3.9Å; L601-L609 HydrophobicContact CD2-CB 4.15Å; L601-L609 HydrophobicContact CD2-CD1 4.27Å; L609-V611 HydrophobicContact CB-CG2 4.27Å; L609-V611 HydrophobicContact CD2-CG1 4.41Å; L609-V611 HydrophobicContact CD2-CG2 3.69Å; L609-V611 HydrophobicContact CG-CG1 4.04Å; L609-V611 HydrophobicContact CG-CG2 3.85Å; L609-A637 PolarHBondContact O-N 3.49Å; L609-A638 HydrophobicContact CD1-CB 4.03Å; L609-A638 HydrophobicContact CG-CB 4.37Å; L609-A638 VanDerWaalsContact O-CB 3.29Å; L609-A638 WeakPolarHBondContact O-CB 3.16Å; L609-A638 PolarHBondContact O-N 3.1Å; L609-L670 HydrophobicContact CD2-CD1 4.4Å; L609-M674 HydrophobicContact CB-CG 4.39Å; L609-M674 HydrophobicContact CB-SD 3.46Å; L609-M674 WeakPolarHBondContact CB-SD 3.48Å; L609-I684 HydrophobicContact CD1-CG2 3.95Å; L609-L686 HydrophobicContact CD1-CD1 4.18Å; L609-L686 HydrophobicContact CD2-CD1 3.81Å; L609-L686 HydrophobicContact CD2-CD2 4.26Å |
| 610 | G | 85.4 | Confident | 72.2 | Confident | 4 Ų | 4 | 76 Ų | 76 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | trans | 71.1 | 35 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A607 G608 I633 | A607-G610 WeakPolarHBondContact O-CA 3.14Å; A607-G610 PolarHBondContact O-N 3.15Å; G608-G610 PolarHBondContact O-N 2.81Å; G610-I633 WeakPolarHBondContact O-CB 3.29Å; G610-I633 PolarHBondContact O-N 3.25Å | ||
| 611 | V | 88.4 | Confident | 71.1 | Confident | 25 Ų | 25 | 79.3 Ų | 79.3 | 15% | 0.152 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.3 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | L609 V613 I632 A638 L644 | L609-V611 HydrophobicContact CB-CG2 4.27Å; L609-V611 HydrophobicContact CD2-CG1 4.41Å; L609-V611 HydrophobicContact CD2-CG2 3.69Å; L609-V611 HydrophobicContact CG-CG1 4.04Å; L609-V611 HydrophobicContact CG-CG2 3.85Å; V611-V613 HydrophobicContact CG2-CG1 4.1Å; V611-I632 HydrophobicContact CG1-CG1 4.48Å; V611-A638 HydrophobicContact CG1-CB 3.5Å; V611-A638 VanDerWaalsContact CG1-CB 3.5Å; V611-L644 HydrophobicContact CG1-CD2 3.55Å |
| 612 | S | 87.5 | Confident | 70.6 | Confident | 41 Ų | 41 | 85.2 Ų | 85.2 | 29% | 0.287 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.2 | 160.3 | -169.1 | 0 | 0 | 0 | 0 | 107.9 | K630 S631 | S612-K630 PolarHBondContact O-N 3.05Å; S612-S631 WeakPolarHBondContact CB-OG 3.24Å; S612-S631 PolarHBondContact N-O 2.86Å; S612-S631 PolarHBondContact O-N 2.57Å |
| 613 | V | 90.3 | Very high | 70.6 | Confident | 26 Ų | 26 | 82.9 Ų | 82.9 | 16% | 0.158 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.9 | 178.4 | -77.9 | 0 | 0 | 0 | 0 | 110.4 | V611 I627 F628 V629 L650 M667 L670 | V611-V613 HydrophobicContact CG2-CG1 4.1Å; V613-I627 HydrophobicContact CB-CG2 3.68Å; V613-I627 HydrophobicContact CG1-CG2 3.98Å; V613-I627 HydrophobicContact CG2-CG2 4.31Å; V613-F628 CarbonylContact C-O 3.57Å; V613-F628 VanDerWaalsContact CA-O 3.28Å; V613-F628 WeakPolarHBondContact CA-O 3.19Å; V613-V629 HydrophobicContact CG1-CG2 4.49Å; V613-L650 HydrophobicContact CG1-CD1 3.84Å; V613-M667 HydrophobicContact CB-SD 4.36Å; V613-M667 HydrophobicContact CG2-CE 3.82Å; V613-M667 HydrophobicContact CG2-SD 3.44Å; V613-M667 WeakPolarHBondContact CG2-SD 3.46Å; V613-L670 HydrophobicContact CG1-CD2 4.43Å; V613-L670 HydrophobicContact CG2-CD2 3.95Å |
| 614 | K | 87.4 | Confident | 71.6 | Confident | 122 Ų | 122 | 77.7 Ų | 77.7 | 53% | 0.53 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.8 | 179.8 | 177.5 | -177.4 | 176.1 | -169.9 | 0 | 109 | F628 K630 | K614-F628 PolarHBondContact N-O 2.82Å; K614-F628 PolarHBondContact O-N 2.84Å; K614-K630 HydrophobicContact CB-CB 4.11Å |
| 615 | G | 85.4 | Confident | 72.9 | Confident | 29 Ų | 29 | 76.9 Ų | 76.9 | 30% | 0.299 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 132.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N663 | G615-N663 WeakPolarHBondContact CA-OD1 3.23Å |
| 616 | N | 80.6 | Confident | 74.4 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 32% | 0.316 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.1 | 178.6 | -166.1 | 14.5 | 0 | 0 | 0 | 110.3 | L625 G626 F628 N663 | N616-L625 HydrophobicContact CB-CB 4.07Å; N616-L625 PolarHBondContact O-N 2.78Å; N616-G626 PolarHBondContact N-O 2.93Å; N616-F628 HydrophobicContact CB-CD2 3.7Å; N616-F628 HydrophobicContact CB-CE2 3.65Å; N616-N663 PolarHBondContact N-OD1 3.44Å; N616-N663 PolarHBondContact O-ND2 3.28Å |
| 617 | R | 75.6 | Confident | 76.4 | Confident | 146 Ų | 146 | 68.1 Ų | 68.1 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.7 | 178.6 | -57.5 | -163.7 | 71.7 | -178.4 | -4 | 108.9 | K619 H622 D624 N663 | R617-K619 PolarHBondContact O-N 3.47Å; R617-H622 PolarHBondContact NE-O 3.45Å; R617-H622 PolarHBondContact NH2-O 3.1Å; R617-D624 WeakPolarHBondContact CD-OD1 3.47Å; R617-D624 WeakPolarHBondContact CG-OD1 3.37Å; R617-D624 IonicContact CZ-OD1 3.44Å; R617-D624 IonicContact NE-OD1 2.71Å; R617-D624 PolarHBondContact NE-OD1 3.3Å; R617-D624 IonicContact NH2-OD1 3.35Å; R617-D624 PolarHBondContact NH2-OD1 2.78Å; R617-N663 WeakPolarHBondContact CG-ND2 3.24Å |
| 618 | S | 72.4 | Confident | 78.1 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | trans | -65.4 | 128 | 176.8 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | E620 H622 A623 | S618-E620 PolarHBondContact O-N 2.76Å; S618-H622 WeakPolarHBondContact O-CA 3.48Å; S618-H622 PolarHBondContact O-N 3.2Å; S618-H622 VanDerWaalsContact O-N 3.15Å; S618-H622 PolarHBondContact OG-N 3.34Å; S618-A623 PolarHBondContact N-O 3.13Å; S618-A623 PolarHBondContact OG-N 2.74Å; S618-A623 PolarHBondContact OG-O 3.36Å | ||
| 619 | K | 62 | Low | 79 | Confident | 213 Ų | 213 | 65 Ų | 65 | 93% | 0.926 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -20.7 | -179.3 | -73.8 | -169.9 | 175 | -173.9 | 0 | 113.3 | R617 | R617-K619 PolarHBondContact O-N 3.47Š|
| 620 | E | 64.1 | Low | 79.3 | Confident | 173 Ų | 173 | 71.4 Ų | 71.4 | 81% | 0.808 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -42.2 | -171.2 | -173.8 | 171.4 | -158 | 0 | 0 | 112.1 | S618 | S618-E620 PolarHBondContact O-N 2.76Š|
| 621 | N | 61.5 | Low | 79.5 | Confident | 125 Ų | 125 | 73.5 Ų | 73.5 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 2.6 | -174.7 | -67.8 | -42 | 0 | 0 | 0 | 114.1 | A623 | N621-A623 PolarHBondContact O-N 3.02Š|
| 622 | H | 65.6 | Low | 79.5 | Confident | 140 Ų | 140 | 74.2 Ų | 74.2 | 65% | 0.648 | 38% | 0.377 | S | S | * | . | trans | 54.8 | -6 | -173.8 | -71.4 | -74.3 | 0 | 0 | 0 | 117.3 | R617 S618 | R617-H622 PolarHBondContact NE-O 3.45Å; R617-H622 PolarHBondContact NH2-O 3.1Å; S618-H622 WeakPolarHBondContact O-CA 3.48Å; S618-H622 PolarHBondContact O-N 3.2Å; S618-H622 VanDerWaalsContact O-N 3.15Å; S618-H622 PolarHBondContact OG-N 3.34Å | ||
| 623 | A | 66.6 | Low | 79.5 | Confident | 53 Ų | 53 | 76.8 Ų | 76.8 | 44% | 0.438 | 39% | 0.386 | S | S | . | . | trans | -59.6 | 140.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | S618 N621 L625 | S618-A623 PolarHBondContact N-O 3.13Å; S618-A623 PolarHBondContact OG-N 2.74Å; S618-A623 PolarHBondContact OG-O 3.36Å; N621-A623 PolarHBondContact O-N 3.02Å; A623-L625 PolarHBondContact O-N 3.43Å | ||
| 624 | D | 74 | Confident | 79 | Confident | 52 Ų | 52 | 84 Ų | 84 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 118.9 | 177.4 | -76.5 | 2.4 | 0 | 0 | 0 | 109.6 | R617 G626 T662 N663 | R617-D624 WeakPolarHBondContact CD-OD1 3.47Å; R617-D624 WeakPolarHBondContact CG-OD1 3.37Å; R617-D624 IonicContact CZ-OD1 3.44Å; R617-D624 IonicContact NE-OD1 2.71Å; R617-D624 PolarHBondContact NE-OD1 3.3Å; R617-D624 IonicContact NH2-OD1 3.35Å; R617-D624 PolarHBondContact NH2-OD1 2.78Å; D624-G626 PolarHBondContact O-N 2.93Å; D624-T662 WeakPolarHBondContact OD2-CA 3.35Å; D624-N663 WeakPolarHBondContact CB-ND2 3.41Å; D624-N663 PolarHBondContact OD1-ND2 2.84Å; D624-N663 VanDerWaalsContact OD1-ND2 3.08Å; D624-N663 PolarHBondContact OD2-N 2.99Å; D624-N663 PolarHBondContact OD2-ND2 2.85Å |
| 625 | L | 72.2 | Confident | 78.5 | Confident | 78 Ų | 78 | 80.5 Ų | 80.5 | 41% | 0.408 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 5.9 | -178.4 | -65 | 173.1 | 0 | 0 | 0 | 112.3 | N616 A623 F628 Q649 | N616-L625 HydrophobicContact CB-CB 4.07Å; N616-L625 PolarHBondContact O-N 2.78Å; A623-L625 PolarHBondContact O-N 3.43Å; L625-F628 HydrophobicContact CB-CE2 4.33Å; L625-F628 WeakPolarHBondContact O-CE2 3.47Å; L625-F628 WeakPolarHBondContact O-CZ 3.41Å; L625-Q649 PolarHBondContact O-NE2 2.82Å |
| 626 | G | 83.6 | Confident | 78.4 | Confident | 11 Ų | 11 | 79.3 Ų | 79.3 | 11% | 0.113 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.2 | -176.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N616 D624 F628 N663 | N616-G626 PolarHBondContact N-O 2.93Å; D624-G626 PolarHBondContact O-N 2.93Å; G626-F628 WeakPolarHBondContact O-CD2 3.32Å; G626-F628 WeakPolarHBondContact O-CE2 3.22Å; G626-N663 PolarHBondContact O-OD1 2.94Å |
| 627 | I | 90.2 | Very high | 78.7 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.6 | -176.8 | -54.8 | -57.2 | 0 | 0 | 0 | 110.3 | V613 Q649 L650 L658 N663 A666 M667 | V613-I627 HydrophobicContact CB-CG2 3.68Å; V613-I627 HydrophobicContact CG1-CG2 3.98Å; V613-I627 HydrophobicContact CG2-CG2 4.31Å; I627-Q649 CarbonylContact O-C 3.51Å; I627-Q649 WeakPolarHBondContact O-CA 3.36Å; I627-L650 HydrophobicContact CB-CB 4.42Å; I627-L650 HydrophobicContact CG2-CD1 4.16Å; I627-L650 HydrophobicContact CG2-CG 4.48Å; I627-L650 PolarHBondContact O-N 2.8Å; I627-L658 HydrophobicContact CG1-CD1 4.48Å; I627-N663 HydrophobicContact CD1-CB 4.5Å; I627-A666 HydrophobicContact CD1-CB 4.01Å; I627-A666 HydrophobicContact CG1-CB 3.61Å; I627-M667 HydrophobicContact CD1-CG 3.98Å; I627-M667 HydrophobicContact CD1-SD 4.34Å; I627-M667 HydrophobicContact CG2-SD 4.5Å |
| 628 | F | 90.6 | Very high | 79.3 | Confident | 45 Ų | 45 | 70 Ų | 70 | 20% | 0.197 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.9 | 178 | -63.5 | -99.7 | 0 | 0 | 0 | 111.6 | V613 K614 N616 L625 G626 K630 D648 Q649 | V613-F628 CarbonylContact C-O 3.57Å; V613-F628 VanDerWaalsContact CA-O 3.28Å; V613-F628 WeakPolarHBondContact CA-O 3.19Å; K614-F628 PolarHBondContact N-O 2.82Å; K614-F628 PolarHBondContact O-N 2.84Å; N616-F628 HydrophobicContact CB-CD2 3.7Å; N616-F628 HydrophobicContact CB-CE2 3.65Å; L625-F628 HydrophobicContact CB-CE2 4.33Å; L625-F628 WeakPolarHBondContact O-CE2 3.47Å; L625-F628 WeakPolarHBondContact O-CZ 3.41Å; G626-F628 WeakPolarHBondContact O-CD2 3.32Å; G626-F628 WeakPolarHBondContact O-CE2 3.22Å; F628-K630 PolarHBondContact O-N 3.27Å; F628-D648 CarbonylContact C-O 3.51Å; F628-D648 WeakPolarHBondContact CA-O 2.9Å; F628-Q649 HydrophobicContact CD1-CB 3.73Å; F628-Q649 HydrophobicContact CD1-CG 3.99Å; F628-Q649 HydrophobicContact CE1-CB 3.56Å; F628-Q649 HydrophobicContact CE1-CG 3.6Å; F628-Q649 HydrophobicContact CE2-CG 4.21Å; F628-Q649 HydrophobicContact CG-CG 4.46Å; F628-Q649 HydrophobicContact CZ-CB 4.21Å; F628-Q649 HydrophobicContact CZ-CG 3.71Å |
| 629 | V | 91.6 | Very high | 79.9 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 111.6 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | V613 I632 L644 R645 N647 D648 L650 | V613-V629 HydrophobicContact CG1-CG2 4.49Å; V629-I632 HydrophobicContact CG1-CD1 4.44Å; V629-I632 HydrophobicContact CG1-CG1 3.87Å; V629-L644 HydrophobicContact CG2-CD1 4.14Å; V629-L644 HydrophobicContact CG2-CD2 3.96Å; V629-L644 HydrophobicContact CG2-CG 4.14Å; V629-R645 WeakPolarHBondContact CB-O 3.16Å; V629-R645 WeakPolarHBondContact CG1-O 3.44Å; V629-N647 PolarHBondContact O-N 2.8Å; V629-D648 HydrophobicContact CB-CB 4.37Å; V629-D648 HydrophobicContact CG2-CB 4.05Å; V629-D648 PolarHBondContact N-O 3.45Å; V629-L650 HydrophobicContact CG2-CD2 4.08Å; V629-L650 HydrophobicContact CG2-CG 4.45Å |
| 630 | K | 90.3 | Very high | 81 | Confident | 135 Ų | 135 | 68 Ų | 68 | 59% | 0.587 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -39.1 | 178 | -176.1 | -168.7 | 172.4 | -168.1 | 0 | 112 | S612 K614 F628 V646 | S612-K630 PolarHBondContact O-N 3.05Å; K614-K630 HydrophobicContact CB-CB 4.11Å; F628-K630 PolarHBondContact O-N 3.27Å; K630-V646 VanDerWaalsContact O-CG1 3.32Å; K630-V646 WeakPolarHBondContact O-CG1 3.34Å |
| 631 | S | 88.9 | Confident | 82 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 163.1 | 174 | 64.5 | 0 | 0 | 0 | 0 | 110.7 | S612 | S612-S631 WeakPolarHBondContact CB-OG 3.24Å; S612-S631 PolarHBondContact N-O 2.86Å; S612-S631 PolarHBondContact O-N 2.57Å |
| 632 | I | 89.3 | Confident | 83.1 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 21% | 0.205 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.4 | 174.6 | -56.7 | 179.4 | 0 | 0 | 0 | 107.5 | V611 V629 A638 L644 | V611-I632 HydrophobicContact CG1-CG1 4.48Å; V629-I632 HydrophobicContact CG1-CD1 4.44Å; V629-I632 HydrophobicContact CG1-CG1 3.87Å; I632-A638 HydrophobicContact CG2-CB 4.15Å; I632-L644 HydrophobicContact CD1-CB 4.18Å; I632-L644 HydrophobicContact CD1-CD2 4.39Å; I632-L644 HydrophobicContact CD1-CG 4.25Å; I632-L644 WeakPolarHBondContact CD1-O 3.49Å |
| 633 | I | 87.1 | Confident | 84.2 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | trans | -91.1 | 116.8 | -174.5 | -55.7 | 175.3 | 0 | 0 | 0 | 108.3 | G610 G635 G636 S639 | G610-I633 WeakPolarHBondContact O-CB 3.29Å; G610-I633 PolarHBondContact O-N 3.25Å; I633-G635 PolarHBondContact O-N 3.2Å; I633-G636 PolarHBondContact O-N 2.88Å; I633-S639 WeakPolarHBondContact O-CB 3.5Å | ||
| 634 | H | 80.8 | Confident | 85.3 | Confident | 177 Ų | 177 | 54.4 Ų | 54.4 | 82% | 0.819 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 129.2 | 178.8 | -69.9 | 98.2 | 0 | 0 | 0 | 111.8 | G636 S639 | H634-G636 VanDerWaalsContact C-N 3.28Å; H634-G636 PolarHBondContact O-N 3.06Å; H634-S639 WeakPolarHBondContact CA-OG 3.31Å |
| 635 | G | 76.1 | Confident | 86 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -9.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | I633 S639 K640 | I633-G635 PolarHBondContact O-N 3.2Å; G635-S639 PolarHBondContact N-OG 2.76Å; G635-S639 VanDerWaalsContact N-OG 3.08Å; G635-K640 WeakPolarHBondContact O-CE 3.27Å |
| 636 | G | 83.9 | Confident | 86.9 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -71.4 | 169.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113 | I633 H634 A638 S639 K640 | I633-G636 PolarHBondContact O-N 2.88Å; H634-G636 VanDerWaalsContact C-N 3.28Å; H634-G636 PolarHBondContact O-N 3.06Å; G636-A638 PolarHBondContact O-N 3.17Å; G636-S639 WeakPolarHBondContact O-CA 3.18Å; G636-S639 WeakPolarHBondContact O-CB 3.43Å; G636-S639 PolarHBondContact O-N 3.35Å; G636-K640 PolarHBondContact O-N 3.49Å |
| 637 | A | 86.3 | Confident | 87.1 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.9 | -47.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V599 P600 L601 L609 S639 K640 D641 | V599-A637 HydrophobicContact CG1-CB 3.98Å; P600-A637 WeakPolarHBondContact O-CB 3.32Å; L601-A637 HydrophobicContact CD2-CB 3.88Å; L609-A637 PolarHBondContact O-N 3.49Å; A637-S639 VanDerWaalsContact C-N 3.27Å; A637-S639 PolarHBondContact O-N 2.82Å; A637-K640 PolarHBondContact O-N 3.43Å; A637-K640 VanDerWaalsContact O-N 3.09Å; A637-D641 WeakPolarHBondContact O-CB 3.36Å; A637-D641 PolarHBondContact O-N 2.78Å |
| 638 | A | 88 | Confident | 87.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -28.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L609 V611 I632 G636 G642 L644 | L609-A638 HydrophobicContact CD1-CB 4.03Å; L609-A638 HydrophobicContact CG-CB 4.37Å; L609-A638 VanDerWaalsContact O-CB 3.29Å; L609-A638 WeakPolarHBondContact O-CB 3.16Å; L609-A638 PolarHBondContact O-N 3.1Å; V611-A638 HydrophobicContact CG1-CB 3.5Å; V611-A638 VanDerWaalsContact CG1-CB 3.5Å; I632-A638 HydrophobicContact CG2-CB 4.15Å; G636-A638 PolarHBondContact O-N 3.17Å; A638-G642 PolarHBondContact O-N 2.8Å; A638-L644 HydrophobicContact CB-CD2 3.98Å |
| 639 | S | 85.1 | Confident | 87.2 | Confident | 41 Ų | 41 | 63 Ų | 63 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.1 | -29.1 | 172.9 | 168.3 | 0 | 0 | 0 | 0 | 112.7 | I633 H634 G635 G636 A637 | I633-S639 WeakPolarHBondContact O-CB 3.5Å; H634-S639 WeakPolarHBondContact CA-OG 3.31Å; G635-S639 PolarHBondContact N-OG 2.76Å; G635-S639 VanDerWaalsContact N-OG 3.08Å; G636-S639 WeakPolarHBondContact O-CA 3.18Å; G636-S639 WeakPolarHBondContact O-CB 3.43Å; G636-S639 PolarHBondContact O-N 3.35Å; A637-S639 VanDerWaalsContact C-N 3.27Å; A637-S639 PolarHBondContact O-N 2.82Å |
| 640 | K | 84.4 | Confident | 87.2 | Confident | 150 Ų | 150 | 63 Ų | 63 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -79.1 | -32 | 174.2 | -70.5 | 173.5 | 174.7 | 170.5 | 0 | 112 | G635 G636 A637 | G635-K640 WeakPolarHBondContact O-CE 3.27Å; G636-K640 PolarHBondContact O-N 3.49Å; A637-K640 PolarHBondContact O-N 3.43Å; A637-K640 VanDerWaalsContact O-N 3.09Å |
| 641 | D | 86 | Confident | 87.2 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 20% | 0.198 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.4 | -41.2 | 176.4 | -173.6 | 88.3 | 0 | 0 | 0 | 113 | V599 A637 R643 | V599-D641 HydrophobicContact CG1-CB 4.09Å; V599-D641 HydrophobicContact CG2-CB 4.32Å; A637-D641 WeakPolarHBondContact O-CB 3.36Å; A637-D641 PolarHBondContact O-N 2.78Å; D641-R643 PolarHBondContact O-N 2.88Å; D641-R643 IonicContact OD1-CZ 3.89Å; D641-R643 IonicContact OD1-NE 3.56Å; D641-R643 PolarHBondContact OD1-NE 3.47Å; D641-R643 IonicContact OD1-NH2 3.18Å; D641-R643 PolarHBondContact OD1-NH2 2.84Å; D641-R643 VanDerWaalsContact OD2-CB 3.3Å; D641-R643 WeakPolarHBondContact OD2-CB 3.47Å; D641-R643 WeakPolarHBondContact OD2-CG 3.17Å; D641-R643 IonicContact OD2-CZ 2.92Å; D641-R643 PolarHBondContact OD2-N 2.82Å; D641-R643 IonicContact OD2-NE 3.68Å; D641-R643 PolarHBondContact OD2-NE 2.81Å; D641-R643 IonicContact OD2-NH2 3.93Å |
| 642 | G | 84.5 | Confident | 87.2 | Confident | 54 Ų | 54 | 55.6 Ų | 55.6 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | trans | 71 | -5.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | A638 | A638-G642 PolarHBondContact O-N 2.8Š| ||
| 643 | R | 88.1 | Confident | 87.3 | Confident | 106 Ų | 106 | 53.7 Ų | 53.7 | 40% | 0.4 | 29% | 0.286 | S | S | . | . | trans | -79.8 | -30.3 | -179.3 | -60.1 | 178.4 | -73.6 | -178.6 | -8.1 | 113.4 | F597 E598 D641 R690 | F597-R643 HydrophobicContact CD1-CB 3.7Å; F597-R643 HydrophobicContact CE1-CB 3.6Å; F597-R643 HydrophobicContact CG-CB 4.34Å; F597-R643 HydrophobicContact CZ-CB 4.14Å; F597-R643 WeakPolarHBondContact CZ-O 3.41Å; E598-R643 PolarHBondContact O-NH2 3.01Å; D641-R643 PolarHBondContact O-N 2.88Å; D641-R643 IonicContact OD1-CZ 3.89Å; D641-R643 IonicContact OD1-NE 3.56Å; D641-R643 PolarHBondContact OD1-NE 3.47Å; D641-R643 IonicContact OD1-NH2 3.18Å; D641-R643 PolarHBondContact OD1-NH2 2.84Å; D641-R643 VanDerWaalsContact OD2-CB 3.3Å; D641-R643 WeakPolarHBondContact OD2-CB 3.47Å; D641-R643 WeakPolarHBondContact OD2-CG 3.17Å; D641-R643 IonicContact OD2-CZ 2.92Å; D641-R643 PolarHBondContact OD2-N 2.82Å; D641-R643 IonicContact OD2-NE 3.68Å; D641-R643 PolarHBondContact OD2-NE 2.81Å; D641-R643 IonicContact OD2-NH2 3.93Å; R643-R690 PolarHBondContact O-NH2 3.38Å | ||
| 644 | L | 90.5 | Very high | 87.2 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | trans | -74.4 | 143 | 174.6 | -166.6 | 72.6 | 0 | 0 | 0 | 110.4 | F597 V611 V629 I632 A638 D648 L650 V688 | F597-L644 HydrophobicContact CD2-CD1 4.02Å; F597-L644 HydrophobicContact CE2-CB 4.46Å; F597-L644 HydrophobicContact CE2-CD1 3.88Å; V611-L644 HydrophobicContact CG1-CD2 3.55Å; V629-L644 HydrophobicContact CG2-CD1 4.14Å; V629-L644 HydrophobicContact CG2-CD2 3.96Å; V629-L644 HydrophobicContact CG2-CG 4.14Å; I632-L644 HydrophobicContact CD1-CB 4.18Å; I632-L644 HydrophobicContact CD1-CD2 4.39Å; I632-L644 HydrophobicContact CD1-CG 4.25Å; I632-L644 WeakPolarHBondContact CD1-O 3.49Å; A638-L644 HydrophobicContact CB-CD2 3.98Å; L644-D648 HydrophobicContact CD1-CB 4.14Å; L644-L650 HydrophobicContact CD1-CD2 4.42Å; L644-V688 HydrophobicContact CD1-CG1 4.46Å; L644-V688 HydrophobicContact CD1-CG2 3.85Å | ||
| 645 | R | 89.6 | Confident | 87.3 | Confident | 152 Ų | 152 | 46.6 Ų | 46.6 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | trans | -125.9 | 168.8 | -179.7 | -64.3 | -177.7 | -174.4 | 171.3 | 0.9 | 111.7 | V629 D648 | V629-R645 WeakPolarHBondContact CB-O 3.16Å; V629-R645 WeakPolarHBondContact CG1-O 3.44Å; R645-D648 PolarHBondContact N-OD2 3.3Å; R645-D648 WeakPolarHBondContact O-CB 3.42Å | ||
| 646 | V | 89.6 | Confident | 87.8 | Confident | 71 Ų | 71 | 47.8 Ų | 47.8 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 144.2 | 170.9 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | K630 D648 | K630-V646 VanDerWaalsContact O-CG1 3.32Å; K630-V646 WeakPolarHBondContact O-CG1 3.34Å; V646-D648 PolarHBondContact O-N 3.32Å |
| 647 | N | 88.1 | Confident | 88 | Confident | 128 Ų | 128 | 50.5 Ų | 50.5 | 68% | 0.684 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 3 | -171.1 | -48.7 | -65.7 | 0 | 0 | 0 | 116 | V629 Q649 | V629-N647 PolarHBondContact O-N 2.8Å; N647-Q649 PolarHBondContact O-N 2.92Å |
| 648 | D | 91.7 | Very high | 88 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 132.1 | 166.4 | -80.6 | 1.4 | 0 | 0 | 0 | 110.3 | F628 V629 L644 R645 V646 V688 R690 | F628-D648 CarbonylContact C-O 3.51Å; F628-D648 WeakPolarHBondContact CA-O 2.9Å; V629-D648 HydrophobicContact CB-CB 4.37Å; V629-D648 HydrophobicContact CG2-CB 4.05Å; V629-D648 PolarHBondContact N-O 3.45Å; L644-D648 HydrophobicContact CD1-CB 4.14Å; R645-D648 PolarHBondContact N-OD2 3.3Å; R645-D648 WeakPolarHBondContact O-CB 3.42Å; V646-D648 PolarHBondContact O-N 3.32Å; D648-V688 HydrophobicContact CB-CG1 3.56Å; D648-R690 IonicContact OD1-CZ 2.71Å; D648-R690 IonicContact OD1-NE 3.34Å; D648-R690 PolarHBondContact OD1-NE 3.42Å; D648-R690 IonicContact OD1-NH2 2.95Å; D648-R690 PolarHBondContact OD1-NH2 3.13Å; D648-R690 IonicContact OD2-CZ 3.17Å; D648-R690 IonicContact OD2-NE 3.83Å; D648-R690 IonicContact OD2-NH2 3.83Å; D648-R690 PolarHBondContact OD2-NH2 2.74Å |
| 649 | Q | 90.7 | Very high | 87.6 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128 | 175.7 | -170.7 | -176.5 | 9.4 | 0 | 0 | 109.7 | L625 I627 F628 N647 I651 V688 A689 | L625-Q649 PolarHBondContact O-NE2 2.82Å; I627-Q649 CarbonylContact O-C 3.51Å; I627-Q649 WeakPolarHBondContact O-CA 3.36Å; F628-Q649 HydrophobicContact CD1-CB 3.73Å; F628-Q649 HydrophobicContact CD1-CG 3.99Å; F628-Q649 HydrophobicContact CE1-CB 3.56Å; F628-Q649 HydrophobicContact CE1-CG 3.6Å; F628-Q649 HydrophobicContact CE2-CG 4.21Å; F628-Q649 HydrophobicContact CG-CG 4.46Å; F628-Q649 HydrophobicContact CZ-CB 4.21Å; F628-Q649 HydrophobicContact CZ-CG 3.71Å; N647-Q649 PolarHBondContact O-N 2.92Å; Q649-I651 HydrophobicContact CB-CD1 4.48Å; Q649-I651 HydrophobicContact CG-CD1 4.01Å; Q649-V688 CarbonylContact O-C 3.58Å; Q649-V688 VanDerWaalsContact O-CA 3.22Å; Q649-V688 WeakPolarHBondContact O-CA 3.31Å; Q649-A689 HydrophobicContact CB-CB 4.24Å; Q649-A689 WeakPolarHBondContact CB-O 3.37Å; Q649-A689 PolarHBondContact N-O 2.92Å; Q649-A689 PolarHBondContact O-N 3.04Å |
| 650 | L | 91.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 127.1 | 173.6 | -56.1 | -173.5 | 0 | 0 | 0 | 109.8 | V613 I627 V629 L644 L658 L670 V688 | V613-L650 HydrophobicContact CG1-CD1 3.84Å; I627-L650 HydrophobicContact CB-CB 4.42Å; I627-L650 HydrophobicContact CG2-CD1 4.16Å; I627-L650 HydrophobicContact CG2-CG 4.48Å; I627-L650 PolarHBondContact O-N 2.8Å; V629-L650 HydrophobicContact CG2-CD2 4.08Å; V629-L650 HydrophobicContact CG2-CG 4.45Å; L644-L650 HydrophobicContact CD1-CD2 4.42Å; L650-L658 HydrophobicContact CB-CD1 3.81Å; L650-L670 HydrophobicContact CD1-CD2 4.07Å; L650-V688 HydrophobicContact CD2-CG2 3.94Å |
| 651 | I | 90.6 | Very high | 87 | Confident | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.087 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -42.2 | -172.6 | -58.9 | -62.7 | 0 | 0 | 0 | 111 | F594 Q649 L658 L659 I687 A689 | F594-I651 HydrophobicContact CD1-CG1 4.1Å; F594-I651 HydrophobicContact CE1-CD1 4.05Å; F594-I651 HydrophobicContact CE1-CG1 3.9Å; F594-I651 HydrophobicContact CE1-CG2 4.22Å; Q649-I651 HydrophobicContact CB-CD1 4.48Å; Q649-I651 HydrophobicContact CG-CD1 4.01Å; I651-L658 PolarHBondContact O-N 3.45Å; I651-L659 HydrophobicContact CD1-CD1 4.46Å; I651-L659 HydrophobicContact CD1-CD2 3.88Å; I651-L659 HydrophobicContact CD1-CG 4.34Å; I651-L659 HydrophobicContact CG2-CD1 3.89Å; I651-L659 HydrophobicContact CG2-CG 4.09Å; I651-I687 HydrophobicContact CB-CB 4.39Å; I651-I687 HydrophobicContact CB-CG2 4.19Å; I651-I687 WeakPolarHBondContact CB-O 2.96Å; I651-I687 HydrophobicContact CG2-CG2 4.28Å; I651-I687 PolarHBondContact N-O 3.23Å; I651-A689 HydrophobicContact CD1-CB 3.73Å; I651-A689 HydrophobicContact CG1-CB 3.77Å |
| 652 | A | 89.8 | Confident | 87 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E656 I687 | A652-E656 CarbonylContact C-O 3.53Å; A652-E656 WeakPolarHBondContact CA-O 3.39Å; A652-E656 WeakPolarHBondContact CB-O 3.43Å; A652-I687 HydrophobicContact CB-CB 4.03Å; A652-I687 HydrophobicContact CB-CD1 4.07Å; A652-I687 HydrophobicContact CB-CG1 4.14Å; A652-I687 PolarHBondContact N-O 2.9Å; A652-I687 PolarHBondContact O-N 3.27Å |
| 653 | V | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 123.1 | 179 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | G655 E656 L658 L670 S673 I684 Q685 L686 | V653-G655 PolarHBondContact O-N 3.34Å; V653-E656 PolarHBondContact N-O 3.26Å; V653-E656 WeakPolarHBondContact O-CB 3.49Å; V653-E656 PolarHBondContact O-N 3.48Å; V653-L658 HydrophobicContact CG2-CD1 3.77Å; V653-L658 HydrophobicContact CG2-CD2 4.19Å; V653-L658 HydrophobicContact CG2-CG 4.07Å; V653-L670 HydrophobicContact CG1-CD1 4.18Å; V653-L670 HydrophobicContact CG2-CD1 3.88Å; V653-S673 VanDerWaalsContact CG1-CB 3.42Å; V653-I684 HydrophobicContact CG1-CD1 3.71Å; V653-I684 HydrophobicContact CG1-CG1 3.85Å; V653-Q685 CarbonylContact C-O 3.55Å; V653-Q685 WeakPolarHBondContact CA-O 3.47Å; V653-L686 HydrophobicContact CB-CD2 4.48Å; V653-L686 HydrophobicContact CG1-CD2 4.1Å; V653-L686 HydrophobicContact CG2-CD2 4Å |
| 654 | N | 86.3 | Confident | 86.9 | Confident | 61 Ų | 61 | 52 Ų | 52 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 24.8 | -177.7 | -66.4 | -21.6 | 0 | 0 | 0 | 114.9 | S673 I684 Q685 | N654-S673 WeakPolarHBondContact ND2-CB 3.19Å; N654-S673 PolarHBondContact ND2-OG 2.86Å; N654-I684 WeakPolarHBondContact OD1-CA 3.44Å; N654-Q685 PolarHBondContact N-O 2.91Å; N654-Q685 PolarHBondContact OD1-N 3.43Å |
| 655 | G | 82.5 | Confident | 86.7 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 64% | 0.639 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -10.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V653 | V653-G655 PolarHBondContact O-N 3.34Š|
| 656 | E | 86.1 | Confident | 86.6 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 117.1 | 174 | -172.6 | 169 | -155.1 | 0 | 0 | 110.2 | A652 V653 L658 M661 A669 | A652-E656 CarbonylContact C-O 3.53Å; A652-E656 WeakPolarHBondContact CA-O 3.39Å; A652-E656 WeakPolarHBondContact CB-O 3.43Å; V653-E656 PolarHBondContact N-O 3.26Å; V653-E656 WeakPolarHBondContact O-CB 3.49Å; V653-E656 PolarHBondContact O-N 3.48Å; E656-L658 PolarHBondContact O-N 3.46Å; E656-M661 HydrophobicContact CG-CE 3.83Å; E656-A669 HydrophobicContact CG-CB 4.29Å; E656-A669 WeakPolarHBondContact OE2-CB 3.43Å |
| 657 | S | 87.6 | Confident | 86.5 | Confident | 60 Ų | 60 | 47.4 Ų | 47.4 | 42% | 0.42 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.1 | -179.3 | 171 | 0 | 0 | 0 | 0 | 111.8 | L659 M661 | S657-L659 PolarHBondContact OG-N 2.83Å; S657-M661 WeakPolarHBondContact O-CE 3.24Å |
| 658 | L | 85.8 | Confident | 86.4 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | trans | -85.7 | -9.4 | 172.2 | -54.4 | -170.1 | 0 | 0 | 0 | 112.9 | I627 L650 I651 V653 E656 M661 A666 A669 | I627-L658 HydrophobicContact CG1-CD1 4.48Å; L650-L658 HydrophobicContact CB-CD1 3.81Å; I651-L658 PolarHBondContact O-N 3.45Å; V653-L658 HydrophobicContact CG2-CD1 3.77Å; V653-L658 HydrophobicContact CG2-CD2 4.19Å; V653-L658 HydrophobicContact CG2-CG 4.07Å; E656-L658 PolarHBondContact O-N 3.46Å; L658-M661 HydrophobicContact CD2-SD 4.17Å; L658-A666 HydrophobicContact CB-CB 4.16Å; L658-A666 HydrophobicContact CD1-CB 4.5Å; L658-A666 HydrophobicContact CD2-CB 4.06Å; L658-A666 HydrophobicContact CG-CB 4.47Å; L658-A669 HydrophobicContact CD2-CB 3.84Å | ||
| 659 | L | 81 | Confident | 86.1 | Confident | 88 Ų | 88 | 45.6 Ų | 45.6 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 132.6 | 174.5 | -67 | -179.8 | 0 | 0 | 0 | 110.6 | I651 S657 M661 | I651-L659 HydrophobicContact CD1-CD1 4.46Å; I651-L659 HydrophobicContact CD1-CD2 3.88Å; I651-L659 HydrophobicContact CD1-CG 4.34Å; I651-L659 HydrophobicContact CG2-CD1 3.89Å; I651-L659 HydrophobicContact CG2-CG 4.09Å; S657-L659 PolarHBondContact OG-N 2.83Å; L659-M661 PolarHBondContact O-N 3.11Å |
| 660 | G | 74.5 | Confident | 85.9 | Confident | 89 Ų | 89 | 45.1 Ų | 45.1 | 92% | 0.918 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -14.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 661 | M | 82.9 | Confident | 85.7 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -66.3 | 153.6 | 168.1 | -70.9 | -171.1 | 169.7 | 0 | 0 | 111.1 | E656 S657 L658 L659 D665 A666 A669 | E656-M661 HydrophobicContact CG-CE 3.83Å; S657-M661 WeakPolarHBondContact O-CE 3.24Å; L658-M661 HydrophobicContact CD2-SD 4.17Å; L659-M661 PolarHBondContact O-N 3.11Å; M661-D665 HydrophobicContact CB-CB 4.36Å; M661-A666 HydrophobicContact CB-CB 4.04Å; M661-A666 HydrophobicContact SD-CB 4.41Å; M661-A669 HydrophobicContact SD-CB 4.22Å |
| 662 | T | 84.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | trans | -68.3 | 156.9 | 169.1 | 79.6 | 0 | 0 | 0 | 0 | 110.3 | D624 Q664 D665 A666 | D624-T662 WeakPolarHBondContact OD2-CA 3.35Å; T662-Q664 PolarHBondContact O-N 2.83Å; T662-Q664 PolarHBondContact OG1-N 3.19Å; T662-D665 VanDerWaalsContact CB-OD2 3.28Å; T662-D665 WeakPolarHBondContact CB-OD2 3.32Å; T662-D665 VanDerWaalsContact CG2-OD2 3.24Å; T662-D665 WeakPolarHBondContact CG2-OD2 3.33Å; T662-D665 PolarHBondContact N-OD2 2.81Å; T662-D665 PolarHBondContact O-N 3.39Å; T662-D665 VanDerWaalsContact O-N 3.13Å; T662-D665 PolarHBondContact OG1-N 3.44Å; T662-D665 PolarHBondContact OG1-OD2 3.41Å; T662-A666 WeakPolarHBondContact O-CB 3.43Å; T662-A666 PolarHBondContact O-N 3.2Å | ||
| 663 | N | 85.3 | Confident | 85 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.2 | 174.5 | -79.5 | -66.2 | 0 | 0 | 0 | 114.3 | G615 N616 R617 D624 G626 I627 M667 | G615-N663 WeakPolarHBondContact CA-OD1 3.23Å; N616-N663 PolarHBondContact N-OD1 3.44Å; N616-N663 PolarHBondContact O-ND2 3.28Å; R617-N663 WeakPolarHBondContact CG-ND2 3.24Å; D624-N663 WeakPolarHBondContact CB-ND2 3.41Å; D624-N663 PolarHBondContact OD1-ND2 2.84Å; D624-N663 VanDerWaalsContact OD1-ND2 3.08Å; D624-N663 PolarHBondContact OD2-N 2.99Å; D624-N663 PolarHBondContact OD2-ND2 2.85Å; G626-N663 PolarHBondContact O-OD1 2.94Å; I627-N663 HydrophobicContact CD1-CB 4.5Å; N663-M667 WeakPolarHBondContact O-CG 3.24Å |
| 664 | Q | 84.9 | Confident | 84.5 | Confident | 106 Ų | 106 | 59.2 Ų | 59.2 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -48 | 172.4 | -178.5 | 64.8 | 19.6 | 0 | 0 | 111.2 | T662 A666 M667 E668 | T662-Q664 PolarHBondContact O-N 2.83Å; T662-Q664 PolarHBondContact OG1-N 3.19Å; Q664-A666 PolarHBondContact O-N 2.76Å; Q664-M667 CarbonylContact O-C 3.59Å; Q664-M667 WeakPolarHBondContact O-CA 3.41Å; Q664-M667 WeakPolarHBondContact O-CB 3.37Å; Q664-M667 PolarHBondContact O-N 2.86Å; Q664-M667 VanDerWaalsContact O-N 3.1Å; Q664-E668 PolarHBondContact NE2-OE1 3.06Å; Q664-E668 PolarHBondContact O-N 3.43Å |
| 665 | D | 87.3 | Confident | 83.8 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | -176 | -49.4 | -46.9 | 0 | 0 | 0 | 111.2 | M661 T662 M667 E668 A669 | M661-D665 HydrophobicContact CB-CB 4.36Å; T662-D665 VanDerWaalsContact CB-OD2 3.28Å; T662-D665 WeakPolarHBondContact CB-OD2 3.32Å; T662-D665 VanDerWaalsContact CG2-OD2 3.24Å; T662-D665 WeakPolarHBondContact CG2-OD2 3.33Å; T662-D665 PolarHBondContact N-OD2 2.81Å; T662-D665 PolarHBondContact O-N 3.39Å; T662-D665 VanDerWaalsContact O-N 3.13Å; T662-D665 PolarHBondContact OG1-N 3.44Å; T662-D665 PolarHBondContact OG1-OD2 3.41Å; D665-M667 PolarHBondContact O-N 2.83Å; D665-E668 CarbonylContact O-C 3.53Å; D665-E668 WeakPolarHBondContact O-CA 3.36Å; D665-E668 PolarHBondContact O-N 2.89Å; D665-A669 PolarHBondContact O-N 3.49Å |
| 666 | A | 87 | Confident | 82.8 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -31.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I627 L658 M661 T662 Q664 E668 L670 | I627-A666 HydrophobicContact CD1-CB 4.01Å; I627-A666 HydrophobicContact CG1-CB 3.61Å; L658-A666 HydrophobicContact CB-CB 4.16Å; L658-A666 HydrophobicContact CD1-CB 4.5Å; L658-A666 HydrophobicContact CD2-CB 4.06Å; L658-A666 HydrophobicContact CG-CB 4.47Å; M661-A666 HydrophobicContact CB-CB 4.04Å; M661-A666 HydrophobicContact SD-CB 4.41Å; T662-A666 WeakPolarHBondContact O-CB 3.43Å; T662-A666 PolarHBondContact O-N 3.2Å; Q664-A666 PolarHBondContact O-N 2.76Å; A666-E668 VanDerWaalsContact C-N 3.29Å; A666-L670 WeakPolarHBondContact O-CB 3.47Å; A666-L670 PolarHBondContact O-N 3.1Å; A666-L670 VanDerWaalsContact O-N 3.13Å |
| 667 | M | 86.8 | Confident | 81.5 | Confident | 54 Ų | 54 | 66 Ų | 66 | 27% | 0.266 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75.3 | -16.3 | 171.8 | -72.5 | -71.7 | -66.5 | 0 | 0 | 112.7 | V613 I627 N663 Q664 D665 R671 | V613-M667 HydrophobicContact CB-SD 4.36Å; V613-M667 HydrophobicContact CG2-CE 3.82Å; V613-M667 HydrophobicContact CG2-SD 3.44Å; V613-M667 WeakPolarHBondContact CG2-SD 3.46Å; I627-M667 HydrophobicContact CD1-CG 3.98Å; I627-M667 HydrophobicContact CD1-SD 4.34Å; I627-M667 HydrophobicContact CG2-SD 4.5Å; N663-M667 WeakPolarHBondContact O-CG 3.24Å; Q664-M667 CarbonylContact O-C 3.59Å; Q664-M667 WeakPolarHBondContact O-CA 3.41Å; Q664-M667 WeakPolarHBondContact O-CB 3.37Å; Q664-M667 PolarHBondContact O-N 2.86Å; Q664-M667 VanDerWaalsContact O-N 3.1Å; D665-M667 PolarHBondContact O-N 2.83Å; M667-R671 WeakPolarHBondContact O-CB 3.44Å; M667-R671 VanDerWaalsContact O-CG 3.24Å; M667-R671 WeakPolarHBondContact O-CG 3.37Å; M667-R671 PolarHBondContact O-N 3.27Å; M667-R671 PolarHBondContact O-NE 3.13Å |
| 668 | E | 85.8 | Confident | 80.1 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -90.9 | -41.6 | 173.5 | -72.8 | -172.5 | -173.3 | 0 | 0 | 112.1 | Q664 D665 A666 L670 R671 K672 | Q664-E668 PolarHBondContact NE2-OE1 3.06Å; Q664-E668 PolarHBondContact O-N 3.43Å; D665-E668 CarbonylContact O-C 3.53Å; D665-E668 WeakPolarHBondContact O-CA 3.36Å; D665-E668 PolarHBondContact O-N 2.89Å; A666-E668 VanDerWaalsContact C-N 3.29Å; E668-L670 VanDerWaalsContact C-N 3.33Å; E668-L670 PolarHBondContact O-N 2.81Å; E668-R671 VanDerWaalsContact CG-CZ 3.48Å; E668-R671 PolarHBondContact O-N 2.81Å; E668-R671 IonicContact OE1-CZ 3.47Å; E668-R671 IonicContact OE1-NH1 2.75Å; E668-R671 IonicContact OE1-NH2 3.93Å; E668-R671 PolarHBondContact OE1-NH2 3.47Å; E668-K672 WeakPolarHBondContact O-CB 3.49Å; E668-K672 PolarHBondContact O-N 3.48Å |
| 669 | A | 86.8 | Confident | 79.3 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -53.3 | -48.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E656 L658 M661 D665 K672 S673 | E656-A669 HydrophobicContact CG-CB 4.29Å; E656-A669 WeakPolarHBondContact OE2-CB 3.43Å; L658-A669 HydrophobicContact CD2-CB 3.84Å; M661-A669 HydrophobicContact SD-CB 4.22Å; D665-A669 PolarHBondContact O-N 3.49Å; A669-K672 PolarHBondContact O-N 3.39Å; A669-S673 VanDerWaalsContact O-CB 3.24Å; A669-S673 WeakPolarHBondContact O-CB 3.46Å; A669-S673 PolarHBondContact O-N 3.3Å; A669-S673 PolarHBondContact O-OG 3.23Å |
| 670 | L | 86.8 | Confident | 78.3 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.7 | -178.5 | 63.3 | 0 | 0 | 0 | 112.4 | L609 V613 L650 V653 A666 E668 M674 I684 L686 | L609-L670 HydrophobicContact CD2-CD1 4.4Å; V613-L670 HydrophobicContact CG1-CD2 4.43Å; V613-L670 HydrophobicContact CG2-CD2 3.95Å; L650-L670 HydrophobicContact CD1-CD2 4.07Å; V653-L670 HydrophobicContact CG1-CD1 4.18Å; V653-L670 HydrophobicContact CG2-CD1 3.88Å; A666-L670 WeakPolarHBondContact O-CB 3.47Å; A666-L670 PolarHBondContact O-N 3.1Å; A666-L670 VanDerWaalsContact O-N 3.13Å; E668-L670 VanDerWaalsContact C-N 3.33Å; E668-L670 PolarHBondContact O-N 2.81Å; L670-M674 HydrophobicContact CG-CE 4.13Å; L670-M674 WeakPolarHBondContact O-CG 3.38Å; L670-M674 PolarHBondContact O-N 2.97Å; L670-M674 VanDerWaalsContact O-N 3.1Å; L670-I684 HydrophobicContact CD1-CD1 4.4Å; L670-L686 HydrophobicContact CD1-CD2 4.49Å |
| 671 | R | 85.6 | Confident | 77.8 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 46% | 0.464 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.8 | -83.1 | -177.8 | -77.4 | 152.8 | -12.1 | 112.4 | M667 E668 M674 S675 | M667-R671 WeakPolarHBondContact O-CB 3.44Å; M667-R671 VanDerWaalsContact O-CG 3.24Å; M667-R671 WeakPolarHBondContact O-CG 3.37Å; M667-R671 PolarHBondContact O-N 3.27Å; M667-R671 PolarHBondContact O-NE 3.13Å; E668-R671 VanDerWaalsContact CG-CZ 3.48Å; E668-R671 PolarHBondContact O-N 2.81Å; E668-R671 IonicContact OE1-CZ 3.47Å; E668-R671 IonicContact OE1-NH1 2.75Å; E668-R671 IonicContact OE1-NH2 3.93Å; E668-R671 PolarHBondContact OE1-NH2 3.47Å; R671-M674 HydrophobicContact CG-CE 4.48Å; R671-M674 PolarHBondContact O-N 3.13Å; R671-S675 PolarHBondContact O-N 2.84Å; R671-S675 VanDerWaalsContact O-N 3.13Å |
| 672 | K | 85.2 | Confident | 77.4 | Confident | 132 Ų | 132 | 75 Ų | 75 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 177.7 | -175.2 | -177.7 | 178.7 | -171.8 | 0 | 111.2 | E668 A669 M674 S675 | E668-K672 WeakPolarHBondContact O-CB 3.49Å; E668-K672 PolarHBondContact O-N 3.48Å; A669-K672 PolarHBondContact O-N 3.39Å; K672-M674 VanDerWaalsContact C-N 3.27Å; K672-M674 PolarHBondContact O-N 3.48Å; K672-S675 VanDerWaalsContact O-CB 3.24Å; K672-S675 WeakPolarHBondContact O-CB 3.46Å; K672-S675 PolarHBondContact O-N 3.28Å |
| 673 | S | 82.3 | Confident | 77.3 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 6% | 0.056 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.9 | -21.9 | 175 | -77.1 | 0 | 0 | 0 | 0 | 114.5 | V653 N654 A669 | V653-S673 VanDerWaalsContact CG1-CB 3.42Å; N654-S673 WeakPolarHBondContact ND2-CB 3.19Å; N654-S673 PolarHBondContact ND2-OG 2.86Å; A669-S673 VanDerWaalsContact O-CB 3.24Å; A669-S673 WeakPolarHBondContact O-CB 3.46Å; A669-S673 PolarHBondContact O-N 3.3Å; A669-S673 PolarHBondContact O-OG 3.23Å |
| 674 | M | 78.6 | Confident | 77.4 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 30% | 0.3 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -10.8 | 169 | -69.3 | -174.4 | -61.5 | 0 | 0 | 113.8 | L601 L609 L670 R671 K672 I684 | L601-M674 HydrophobicContact CD1-CB 4.46Å; L601-M674 HydrophobicContact CD1-CG 4.25Å; L609-M674 HydrophobicContact CB-CG 4.39Å; L609-M674 HydrophobicContact CB-SD 3.46Å; L609-M674 WeakPolarHBondContact CB-SD 3.48Å; L670-M674 HydrophobicContact CG-CE 4.13Å; L670-M674 WeakPolarHBondContact O-CG 3.38Å; L670-M674 PolarHBondContact O-N 2.97Å; L670-M674 VanDerWaalsContact O-N 3.1Å; R671-M674 HydrophobicContact CG-CE 4.48Å; R671-M674 PolarHBondContact O-N 3.13Å; K672-M674 VanDerWaalsContact C-N 3.27Å; K672-M674 PolarHBondContact O-N 3.48Å; M674-I684 HydrophobicContact CG-CD1 3.7Å |
| 675 | S | 72.1 | Confident | 77.6 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -76.4 | 155.4 | 179.4 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | R671 K672 E677 G678 N679 | R671-S675 PolarHBondContact O-N 2.84Å; R671-S675 VanDerWaalsContact O-N 3.13Å; K672-S675 VanDerWaalsContact O-CB 3.24Å; K672-S675 WeakPolarHBondContact O-CB 3.46Å; K672-S675 PolarHBondContact O-N 3.28Å; S675-E677 PolarHBondContact O-N 3.22Å; S675-E677 VanDerWaalsContact O-N 3.13Å; S675-G678 PolarHBondContact O-N 3.45Å; S675-N679 PolarHBondContact O-N 2.88Å |
| 676 | V | 61 | Low | 77.9 | Confident | 138 Ų | 138 | 69.2 Ų | 69.2 | 84% | 0.836 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27 | 178.6 | -146.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 677 | E | 60.1 | Low | 78.1 | Confident | 151 Ų | 151 | 71.6 Ų | 71.6 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -37.2 | 177.6 | -172.1 | -177.3 | -179.3 | 0 | 0 | 113 | S675 K680 | S675-E677 PolarHBondContact O-N 3.22Å; S675-E677 VanDerWaalsContact O-N 3.13Å; E677-K680 WeakPolarHBondContact O-CE 3.21Å |
| 678 | G | 58.1 | Low | 78.3 | Confident | 36 Ų | 36 | 69 Ų | 69 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -38.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S675 K680 | S675-G678 PolarHBondContact O-N 3.45Å; G678-K680 PolarHBondContact O-N 3.11Å |
| 679 | N | 67.8 | Low | 78.5 | Confident | 24 Ų | 24 | 65 Ų | 65 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | trans | -93.6 | 78.3 | 179.2 | -179.4 | 13.1 | 0 | 0 | 0 | 112.2 | S675 R681 G682 M683 | S675-N679 PolarHBondContact O-N 2.88Å; N679-R681 PolarHBondContact O-N 3.18Å; N679-R681 PolarHBondContact OD1-N 2.92Å; N679-R681 VanDerWaalsContact OD1-N 3.15Å; N679-G682 PolarHBondContact OD1-N 3.1Å; N679-M683 PolarHBondContact ND2-N 3.47Å; N679-M683 PolarHBondContact OD1-N 3.24Å; N679-M683 PolarHBondContact OD1-O 3.02Å; N679-M683 VanDerWaalsContact OD1-O 3.05Å | ||
| 680 | K | 60.3 | Low | 78.5 | Confident | 186 Ų | 186 | 66.1 Ų | 66.1 | 81% | 0.809 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 9.7 | 173.8 | -59.4 | -179.9 | -177.7 | 177.4 | 0 | 114 | E677 G678 | E677-K680 WeakPolarHBondContact O-CE 3.21Å; G678-K680 PolarHBondContact O-N 3.11Å |
| 681 | R | 64.5 | Low | 78.1 | Confident | 207 Ų | 207 | 74.3 Ų | 74.3 | 78% | 0.781 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | -8.3 | -170.4 | -78.8 | -172.8 | 165.9 | -161.4 | -2.3 | 115.5 | N679 M683 | N679-R681 PolarHBondContact O-N 3.18Å; N679-R681 PolarHBondContact OD1-N 2.92Å; N679-R681 VanDerWaalsContact OD1-N 3.15Å; R681-M683 HydrophobicContact CB-CB 4.34Å; R681-M683 PolarHBondContact O-N 3.4Å |
| 682 | G | 74.6 | Confident | 77.4 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 30% | 0.299 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 67.1 | 14.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P600 L601 N679 | P600-G682 WeakPolarHBondContact CA-O 3.43Å; L601-G682 PolarHBondContact N-O 3.39Å; N679-G682 PolarHBondContact OD1-N 3.1Å |
| 683 | M | 83.4 | Confident | 75.9 | Confident | 76 Ų | 76 | 73 Ų | 73 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 139.6 | -172.5 | -65.8 | -72.6 | 176.6 | 0 | 0 | 109.7 | E598 V599 P600 N679 R681 | E598-M683 HydrophobicContact CG-CB 4.26Å; E598-M683 HydrophobicContact CG-SD 4.49Å; V599-M683 WeakPolarHBondContact O-CA 3.15Å; P600-M683 VanDerWaalsContact CA-SD 3.5Å; P600-M683 HydrophobicContact CB-CE 4.06Å; P600-M683 HydrophobicContact CB-SD 3.8Å; N679-M683 PolarHBondContact ND2-N 3.47Å; N679-M683 PolarHBondContact OD1-N 3.24Å; N679-M683 PolarHBondContact OD1-O 3.02Å; N679-M683 VanDerWaalsContact OD1-O 3.05Å; R681-M683 HydrophobicContact CB-CB 4.34Å; R681-M683 PolarHBondContact O-N 3.4Å |
| 684 | I | 87.1 | Confident | 74 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.6 | 169.7 | -167.8 | 167.7 | 0 | 0 | 0 | 110.1 | V599 L601 L609 V653 N654 L670 M674 L686 | V599-I684 HydrophobicContact CB-CG2 4.05Å; V599-I684 PolarHBondContact N-O 3.22Å; V599-I684 PolarHBondContact O-N 3.24Å; L601-I684 HydrophobicContact CD1-CB 3.73Å; L601-I684 HydrophobicContact CD1-CD1 4.27Å; L601-I684 HydrophobicContact CD1-CG2 3.79Å; L601-I684 HydrophobicContact CD2-CG2 3.87Å; L601-I684 HydrophobicContact CG-CB 4.04Å; L601-I684 HydrophobicContact CG-CG2 3.67Å; L609-I684 HydrophobicContact CD1-CG2 3.95Å; V653-I684 HydrophobicContact CG1-CD1 3.71Å; V653-I684 HydrophobicContact CG1-CG1 3.85Å; N654-I684 WeakPolarHBondContact OD1-CA 3.44Å; L670-I684 HydrophobicContact CD1-CD1 4.4Å; M674-I684 HydrophobicContact CG-CD1 3.7Å; I684-L686 HydrophobicContact CD1-CD2 4.29Å; I684-L686 HydrophobicContact CG1-CD2 4.17Å |
| 685 | Q | 89.5 | Confident | 71.9 | Confident | 76 Ų | 76 | 85.7 Ų | 85.7 | 36% | 0.355 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 134.6 | 172.9 | -168.6 | 179.3 | 57.2 | 0 | 0 | 109.4 | T596 F597 V653 N654 | T596-Q685 HydrophobicContact CG2-CG 3.98Å; F597-Q685 CarbonylContact O-C 3.47Å; F597-Q685 VanDerWaalsContact O-CA 3.31Å; F597-Q685 WeakPolarHBondContact O-CA 3.12Å; V653-Q685 CarbonylContact C-O 3.55Å; V653-Q685 WeakPolarHBondContact CA-O 3.47Å; N654-Q685 PolarHBondContact N-O 2.91Å; N654-Q685 PolarHBondContact OD1-N 3.43Å |
| 686 | L | 91.6 | Very high | 69.9 | Low | 1 Ų | 1 | 86.9 Ų | 86.9 | 1% | 0.005 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.3 | 179.2 | -57.7 | 172.1 | 0 | 0 | 0 | 108.6 | T596 F597 V599 L609 V653 L670 I684 V688 | T596-L686 WeakPolarHBondContact CA-O 3.48Å; F597-L686 PolarHBondContact N-O 2.92Å; F597-L686 PolarHBondContact O-N 2.91Å; V599-L686 HydrophobicContact CG2-CD1 4.42Å; L609-L686 HydrophobicContact CD1-CD1 4.18Å; L609-L686 HydrophobicContact CD2-CD1 3.81Å; L609-L686 HydrophobicContact CD2-CD2 4.26Å; V653-L686 HydrophobicContact CB-CD2 4.48Å; V653-L686 HydrophobicContact CG1-CD2 4.1Å; V653-L686 HydrophobicContact CG2-CD2 4Å; L670-L686 HydrophobicContact CD1-CD2 4.49Å; I684-L686 HydrophobicContact CD1-CD2 4.29Å; I684-L686 HydrophobicContact CG1-CD2 4.17Å; L686-V688 HydrophobicContact CB-CG2 4.28Å |
| 687 | I | 91.6 | Very high | 68.5 | Low | 52 Ų | 52 | 89.7 Ų | 89.7 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132 | 165.3 | -53.1 | -176.8 | 0 | 0 | 0 | 107.3 | T596 I651 A652 | T596-I687 HydrophobicContact CG2-CG1 4.46Å; I651-I687 HydrophobicContact CB-CB 4.39Å; I651-I687 HydrophobicContact CB-CG2 4.19Å; I651-I687 WeakPolarHBondContact CB-O 2.96Å; I651-I687 HydrophobicContact CG2-CG2 4.28Å; I651-I687 PolarHBondContact N-O 3.23Å; A652-I687 HydrophobicContact CB-CB 4.03Å; A652-I687 HydrophobicContact CB-CD1 4.07Å; A652-I687 HydrophobicContact CB-CG1 4.14Å; A652-I687 PolarHBondContact N-O 2.9Å; A652-I687 PolarHBondContact O-N 3.27Å |
| 688 | V | 91.9 | Very high | 67.2 | Low | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136.4 | -167 | 173.8 | 0 | 0 | 0 | 0 | 110 | F594 L595 F597 L644 D648 Q649 L650 L686 | F594-V688 CarbonylContact C-O 3.48Å; F594-V688 VanDerWaalsContact CA-O 3.32Å; F594-V688 WeakPolarHBondContact CA-O 3.48Å; L595-V688 PolarHBondContact N-O 3Å; L595-V688 PolarHBondContact O-N 3.34Å; F597-V688 HydrophobicContact CD2-CB 4.44Å; F597-V688 HydrophobicContact CD2-CG2 3.81Å; F597-V688 HydrophobicContact CE2-CB 4Å; F597-V688 HydrophobicContact CE2-CG1 4.28Å; F597-V688 HydrophobicContact CE2-CG2 3.79Å; L644-V688 HydrophobicContact CD1-CG1 4.46Å; L644-V688 HydrophobicContact CD1-CG2 3.85Å; D648-V688 HydrophobicContact CB-CG1 3.56Å; Q649-V688 CarbonylContact O-C 3.58Å; Q649-V688 VanDerWaalsContact O-CA 3.22Å; Q649-V688 WeakPolarHBondContact O-CA 3.31Å; L650-V688 HydrophobicContact CD2-CG2 3.94Å; L686-V688 HydrophobicContact CB-CG2 4.28Å |
| 689 | A | 89.5 | Confident | 65.7 | Low | 3 Ų | 3 | 94.2 Ų | 94.2 | 3% | 0.025 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.9 | 166 | 0 | 0 | 0 | 0 | 0 | 110.2 | R592 E593 F594 Q649 I651 | R592-A689 HydrophobicContact CB-CB 4.38Å; E593-A689 WeakPolarHBondContact O-CA 3.48Å; F594-A689 HydrophobicContact CD1-CB 3.79Å; F594-A689 HydrophobicContact CE1-CB 3.7Å; Q649-A689 HydrophobicContact CB-CB 4.24Å; Q649-A689 WeakPolarHBondContact CB-O 3.37Å; Q649-A689 PolarHBondContact N-O 2.92Å; Q649-A689 PolarHBondContact O-N 3.04Å; I651-A689 HydrophobicContact CD1-CB 3.73Å; I651-A689 HydrophobicContact CG1-CB 3.77Å |
| 690 | R | 87.9 | Confident | 63.9 | Low | 30 Ų | 30 | 99.2 Ų | 99.2 | 11% | 0.113 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.5 | 173.6 | -174.5 | 176.1 | -61.4 | 143 | -1 | 109.5 | R592 E593 L595 R643 D648 | R592-R690 CarbonylContact C-O 3.55Å; R592-R690 WeakPolarHBondContact CA-O 3.28Å; R592-R690 WeakPolarHBondContact CB-O 3.44Å; E593-R690 HydrophobicContact CG-CB 3.83Å; E593-R690 WeakPolarHBondContact CG-O 3.28Å; E593-R690 PolarHBondContact N-O 3Å; E593-R690 PolarHBondContact O-N 3.08Å; E593-R690 VanDerWaalsContact OE1-CD 3.32Å; E593-R690 WeakPolarHBondContact OE1-CD 3.32Å; E593-R690 IonicContact OE1-NH1 2.73Å; L595-R690 HydrophobicContact CD1-CB 4.39Å; R643-R690 PolarHBondContact O-NH2 3.38Å; D648-R690 IonicContact OD1-CZ 2.71Å; D648-R690 IonicContact OD1-NE 3.34Å; D648-R690 PolarHBondContact OD1-NE 3.42Å; D648-R690 IonicContact OD1-NH2 2.95Å; D648-R690 PolarHBondContact OD1-NH2 3.13Å; D648-R690 IonicContact OD2-CZ 3.17Å; D648-R690 IonicContact OD2-NE 3.83Å; D648-R690 IonicContact OD2-NH2 3.83Å; D648-R690 PolarHBondContact OD2-NH2 2.74Å |
| 691 | R | 77.9 | Confident | 62.2 | Low | 177 Ų | 177 | 94.2 Ų | 94.2 | 67% | 0.668 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.1 | 173.3 | -175.2 | -178.7 | -63.2 | 169.4 | 1.4 | 108.9 | I693 | R691-I693 PolarHBondContact O-N 3.01Å |
| 692 | L | 69.6 | Low | 60.3 | Low | 88 Ų | 88 | 93 Ų | 93 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | trans | -69 | 121.3 | 171.3 | -63.4 | 175.4 | 0 | 0 | 0 | 108.9 | E593 K694 | E593-L692 HydrophobicContact CB-CD2 4.27Å; E593-L692 HydrophobicContact CG-CD2 3.94Å; E593-L692 HydrophobicContact CG-CG 4.49Å; L692-K694 PolarHBondContact O-N 3.25Å | ||
| 693 | I | 54.5 | Low | 57.9 | Low | 138 Ų | 138 | 96.2 Ų | 96.2 | 71% | 0.708 | 54% | 0.538 | S | S | * | . | trans | -81.5 | 110.8 | 165.7 | -58 | 178.2 | 0 | 0 | 0 | 105.6 | R691 D695 | R691-I693 PolarHBondContact O-N 3.01Å; I693-D695 VanDerWaalsContact C-N 3.33Å; I693-D695 WeakPolarHBondContact CG2-OD1 3.49Å; I693-D695 PolarHBondContact O-N 3.18Å | ||
| 694 | K | 42.8 | Very low | 55.1 | Low | 201 Ų | 201 | 101.1 Ų | 101.1 | 87% | 0.874 | 56% | 0.56 | S | S | * | * | trans | -85.8 | 82.1 | 172.7 | -173.3 | 176.6 | 179.4 | 177.1 | 0 | 108.2 | L692 G696 | L692-K694 PolarHBondContact O-N 3.25Å; K694-G696 PolarHBondContact O-N 2.8Å | ||
| 695 | D | 33.7 | Very low | 52.2 | Low | 136 Ų | 136 | 109 Ų | 109 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | trans | -59.8 | 128.8 | 168.9 | -66.3 | -45.6 | 0 | 0 | 0 | 108.7 | I693 E697 | I693-D695 VanDerWaalsContact C-N 3.33Å; I693-D695 WeakPolarHBondContact CG2-OD1 3.49Å; I693-D695 PolarHBondContact O-N 3.18Å; D695-E697 PolarHBondContact O-N 2.93Å | ||
| 696 | G | 30.9 | Very low | 49.7 | Very low | 75 Ų | 75 | 110.7 Ų | 110.7 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | trans | -86.1 | 109 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K694 D698 | K694-G696 PolarHBondContact O-N 2.8Å; G696-D698 PolarHBondContact O-N 2.91Å | ||
| 697 | E | 31.8 | Very low | 46.5 | Very low | 198 Ų | 198 | 116.2 Ų | 116.2 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | trans | -69 | 111.2 | 161.5 | -67.3 | -174.7 | 121.1 | 0 | 0 | 109.2 | D695 | D695-E697 PolarHBondContact O-N 2.93Š| ||
| 698 | D | 31.9 | Very low | 43.3 | Very low | 156 Ų | 156 | 120.8 Ų | 120.8 | 83% | 0.834 | 68% | 0.677 | S | S | * | * | trans | -143.9 | 145.4 | 169.2 | -123 | -35.8 | 0 | 0 | 0 | 110.5 | G696 | G696-D698 PolarHBondContact O-N 2.91Š| ||
| 699 | S | 27.8 | Very low | 40.2 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 88% | 0.881 | 72% | 0.715 | S | S | * | * | trans | 65.1 | 115.2 | -173.8 | 73.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 700 | S | 28.4 | Very low | 37.7 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | -125.2 | 137.5 | 160 | 55.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 701 | G | 25.7 | Very low | 34.8 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 169.3 | 107 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 702 | M | 24.6 | Very low | 32.4 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -50 | 144.2 | 171.5 | -67.5 | -89.2 | -69.2 | 0 | 0 | 115.5 | ||||
| 703 | S | 23.8 | Very low | 30.3 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | -173.6 | 149.5 | 99.7 | -145 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 704 | E | 23.7 | Very low | 29.1 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | 26.9 | 140.7 | 149.1 | -66.9 | 169.4 | 157.6 | 0 | 0 | 125.1 | ||||
| 705 | L | 27.3 | Very low | 28.4 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -90.7 | 173.8 | 161 | -75.1 | 169.2 | 0 | 0 | 0 | 109.9 | ||||
| 706 | P | 37.8 | Very low | 28.3 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | cis | -149.7 | -164.7 | 27.4 | 31.5 | -3.4 | 0 | 0 | 0 | 118 | ||||
| 707 | V | 23.7 | Very low | 28.2 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | 102.9 | 105.9 | 152.6 | -169.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 708 | N | 25 | Very low | 27.8 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 44.4 | 111.9 | 142.1 | -52.8 | -7.7 | 0 | 0 | 0 | 123.7 | ||||
| 709 | A | 26.3 | Very low | 27.4 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | 42.3 | 159.5 | 108.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 710 | P | 37.7 | Very low | 27.3 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -135.2 | -149.3 | -22.1 | 37 | -14.9 | 0 | 0 | 0 | 112.8 | ||||
| 711 | L | 26.8 | Very low | 27.1 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 82.2 | 149.4 | 171.8 | -46.4 | 176.3 | 0 | 0 | 0 | 116.7 | ||||
| 712 | D | 25.8 | Very low | 27.3 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | cis | -171.5 | 166.5 | -41.1 | -97 | -12.1 | 0 | 0 | 0 | 107.4 | ||||
| 713 | D | 27.3 | Very low | 27.3 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | 63.1 | 144.8 | 167.9 | -63.8 | 178.9 | 0 | 0 | 0 | 117.8 | ||||
| 714 | D | 28.8 | Very low | 27.4 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | cis | -159.2 | -177.2 | -13.4 | -136.2 | -26.1 | 0 | 0 | 0 | 111.7 | ||||
| 715 | D | 28.2 | Very low | 27.4 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | 67.5 | 98.9 | 151.2 | -79.4 | -24.4 | 0 | 0 | 0 | 122.8 | ||||
| 716 | D | 30.1 | Very low | 27.6 | Very low | 123 Ų | 123 | 136 Ų | 136 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | 94.8 | 138.7 | 102.9 | -140.8 | 10.8 | 0 | 0 | 0 | 124.4 | |||||
| 717 | Q | 28.8 | Very low | 27 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 58.1 | 146.4 | 149.7 | -96.1 | 168.5 | 96.1 | 0 | 0 | 127.2 | ||||
| 718 | L | 23.9 | Very low | 27.1 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | -71.6 | 148.8 | -177.3 | -68.3 | 153.5 | 0 | 0 | 0 | 115.1 | ||||
| 719 | S | 24.8 | Very low | 28 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 81.8 | 134 | 135.2 | 74 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 720 | Q | 25 | Very low | 28 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | 66.7 | 120.8 | 143.7 | -70.9 | -176.1 | 13.6 | 0 | 0 | 122.4 | ||||
| 721 | S | 24.9 | Very low | 27.6 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | 89.5 | 98.8 | 126 | -170.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 722 | L | 29.3 | Very low | 27.6 | Very low | 157 Ų | 157 | 143 Ų | 143 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 75 | 114 | 130.9 | -68.2 | 176.3 | 0 | 0 | 0 | 122.3 | ||||
| 723 | Y | 25.2 | Very low | 28.2 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | 101.8 | 146.5 | 122.8 | -145.9 | -117.8 | 0 | 0 | 0 | 121.6 | |||||
| 724 | E | 24.5 | Very low | 28.1 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | 95.9 | 94.2 | 147.9 | -135.7 | 144.8 | -152.4 | 0 | 0 | 124.2 | ||||
| 725 | T | 25.4 | Very low | 27.9 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | 77.5 | 173.7 | 125.1 | -61.4 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 726 | I | 29.7 | Very low | 27.8 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 92.5 | 122.3 | 172.7 | -56.2 | 177.3 | 0 | 0 | 0 | 114.2 | ||||
| 727 | D | 26.4 | Very low | 27.5 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -158 | 180 | -10.7 | -129.1 | -33.6 | 0 | 0 | 0 | 114.6 | ||||
| 728 | F | 26.2 | Very low | 27.5 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 83% | 0.833 | 76% | 0.755 | S | S | * | * | trans | -80 | -169.8 | 173.1 | -73.4 | -96.7 | 0 | 0 | 0 | 113.5 | ||||
| 729 | P | 43.7 | Very low | 27.8 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | cis | -129.9 | -177.6 | -8.5 | 42.4 | -25.7 | 0 | 0 | 0 | 114.6 | ||||
| 730 | D | 26.6 | Very low | 27.9 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | 170.7 | 148.5 | 100.2 | -135.3 | 16.1 | 0 | 0 | 0 | 117.5 | |||||
| 731 | N | 29.3 | Very low | 28.4 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 38.5 | 140.8 | 157.6 | -78.5 | -62.5 | 0 | 0 | 0 | 125.5 | ||||
| 732 | M | 26.7 | Very low | 28.9 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | -133.2 | 151.2 | 170.7 | -114 | -78.3 | 176.8 | 0 | 0 | 108.2 | ||||
| 733 | P | 37.6 | Very low | 28.8 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | -156 | 173.7 | 78.4 | 42.1 | -22.4 | 0 | 0 | 0 | 118.5 | |||||
| 734 | A | 25.4 | Very low | 29 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 65% | 0.645 | 76% | 0.757 | S | S | * | * | trans | 81.8 | 107.9 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 735 | S | 25.1 | Very low | 29.3 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | 82.4 | 137.1 | 125.6 | -62.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 736 | R | 25 | Very low | 29.6 | Very low | 226 Ų | 226 | 140.3 Ų | 140.3 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | 75.3 | 104.9 | 154.5 | -74.9 | -179.3 | 173.7 | -167 | -4.5 | 117.6 | ||||
| 737 | T | 24.7 | Very low | 29.4 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | 87.1 | 118.3 | 69.6 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 738 | N | 27.3 | Very low | 29.6 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | 52.6 | 127.1 | 152.6 | -69.7 | 2.5 | 0 | 0 | 0 | 121.6 | ||||
| 739 | I | 31.5 | Very low | 29.6 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | 34.4 | 99.5 | 129.9 | -49.2 | 176 | 0 | 0 | 0 | 115.5 | |||||
| 740 | L | 26.9 | Very low | 30 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -103.2 | 114.2 | 162 | -178.7 | 63.7 | 0 | 0 | 0 | 110.2 | R742 | L740-R742 HydrophobicContact CD1-CB 4.49Š| ||
| 741 | A | 34.4 | Very low | 30.3 | Very low | 88 Ų | 88 | 138 Ų | 138 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -116.4 | 131.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 742 | R | 35.4 | Very low | 30.2 | Very low | 188 Ų | 188 | 137 Ų | 137 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | -158.4 | 121.2 | 172.3 | -159.7 | 174.8 | -171.5 | -171.7 | 1.6 | 113.6 | L740 | L740-R742 HydrophobicContact CD1-CB 4.49Š| ||
| 743 | N | 28.1 | Very low | 30.2 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | -170.7 | 143.8 | 125.8 | -91.8 | -18.8 | 0 | 0 | 0 | 109.7 | |||||
| 744 | G | 28.5 | Very low | 30.1 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | 126.2 | 137.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 745 | V | 31.6 | Very low | 31.1 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | trans | -147.4 | 142.8 | -163.5 | 140.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 746 | Y | 31 | Very low | 31.3 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | -11.7 | 148.3 | 170.9 | -39 | -64.6 | 0 | 0 | 0 | 119.5 | ||||
| 747 | Q | 27.1 | Very low | 31.7 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | -164.3 | 146.9 | 60 | -72.6 | -179.1 | 4.9 | 0 | 0 | 115.1 | |||||
| 748 | L | 30 | Very low | 31.9 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | 26.4 | 151.3 | 134.8 | -48.5 | 173.8 | 0 | 0 | 0 | 121.6 | ||||
| 749 | S | 25.2 | Very low | 31.9 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | 175.2 | -163.3 | -10.8 | -84.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 750 | P | 53.5 | Low | 32.2 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | -133.5 | 176.3 | -71.2 | 39.4 | -22.7 | 0 | 0 | 0 | 117.2 | |||||
| 751 | T | 31.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 136 Ų | 136 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | 91.5 | 130.4 | 149.1 | -20.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 752 | V | 29 | Very low | 32.2 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | 162.6 | 124.7 | 118.6 | 161.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 753 | N | 26.7 | Very low | 31.9 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | 54 | 150.9 | 154.3 | -73.9 | -9.3 | 0 | 0 | 0 | 126.8 | ||||
| 754 | M | 34.8 | Very low | 32.1 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | trans | -113.9 | 170.1 | 162.6 | -67.1 | -82 | 91.9 | 0 | 0 | 109.6 | ||||
| 755 | P | 45.4 | Very low | 32.1 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | -155.5 | 159.6 | 94.9 | 39.9 | -21.5 | 0 | 0 | 0 | 118.3 | |||||
| 756 | Q | 30.1 | Very low | 32.1 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | trans | 66.6 | 149.3 | 141.2 | -73.2 | 165.7 | -0.2 | 0 | 0 | 121.1 | ||||
| 757 | D | 33.6 | Very low | 33.4 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | cis | -161.7 | 179.7 | -22.3 | -129.5 | -26.9 | 0 | 0 | 0 | 112.7 | ||||
| 758 | N | 29.6 | Very low | 34.2 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | trans | -54.6 | 156.5 | -172.9 | -42.4 | -82.3 | 0 | 0 | 0 | 119.2 | ||||
| 759 | T | 26.4 | Very low | 34.2 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | 166.8 | 158.4 | 115.6 | -65.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 760 | V | 38.8 | Very low | 34.6 | Very low | 105 Ų | 105 | 138 Ų | 138 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | -64.1 | 145.4 | -174 | 177.2 | 0 | 0 | 0 | 0 | 117.2 | I762 | V760-I762 HydrophobicContact CG1-CD1 4.17Å; V760-I762 HydrophobicContact CG1-CG1 4.05Å | ||
| 761 | M | 28.3 | Very low | 33.9 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | trans | -146.4 | 146.8 | 144.9 | -66.3 | -61.1 | -69.8 | 0 | 0 | 107.6 | ||||
| 762 | I | 31.9 | Very low | 33.8 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 59% | 0.585 | 74% | 0.742 | S | S | * | * | cis | 87.2 | 106.7 | 18.1 | -58.3 | 176.3 | 0 | 0 | 0 | 115.6 | V760 | V760-I762 HydrophobicContact CG1-CD1 4.17Å; V760-I762 HydrophobicContact CG1-CG1 4.05Å | ||
| 763 | E | 29.7 | Very low | 33.9 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | 58.8 | 120.6 | 145.1 | -68.5 | 175.5 | 154.9 | 0 | 0 | 124 | ||||
| 764 | D | 32.2 | Very low | 34.1 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | 85.1 | 159.8 | 126 | -133.3 | -4 | 0 | 0 | 0 | 125.2 | |||||
| 765 | D | 29 | Very low | 33.8 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 54% | 0.535 | 74% | 0.742 | S | S | . | * | trans | 87.8 | 91.2 | 149.1 | -120.8 | 9.5 | 0 | 0 | 0 | 124 | ||||
| 766 | R | 30.9 | Very low | 33.2 | Very low | 214 Ų | 214 | 138.5 Ų | 138.5 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | 75.8 | 157.1 | 131.5 | -93.7 | -175.7 | -94.5 | -123.9 | -24.8 | 124.5 | ||||
| 767 | P | 57.8 | Low | 33.4 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | -109.6 | -168.6 | 179 | 44.6 | -34.7 | 0 | 0 | 0 | 112.9 | ||||
| 768 | P | 44.9 | Very low | 33.5 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | trans | -145.7 | 129.7 | 137.6 | 31.4 | -12.8 | 0 | 0 | 0 | 117.5 | ||||
| 769 | L | 30.2 | Very low | 33.5 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | 62.5 | 153 | 137.9 | -49.2 | 176.8 | 0 | 0 | 0 | 119.6 | ||||
| 770 | L | 31.8 | Very low | 33.7 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | cis | -174.7 | 177.4 | -12.1 | -101.5 | 174.5 | 0 | 0 | 0 | 106.6 | ||||
| 771 | P | 39.6 | Very low | 33.4 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | cis | -119.6 | -167 | -26 | 40.1 | -24.1 | 0 | 0 | 0 | 112 | ||||
| 772 | A | 29.7 | Very low | 33.4 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -130.4 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 773 | H | 30.5 | Very low | 33.5 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 82% | 0.819 | 76% | 0.764 | S | S | * | * | trans | 137.2 | 125.1 | 158.6 | -79.7 | -56 | 0 | 0 | 0 | 110.8 | ||||
| 774 | L | 30.1 | Very low | 33.7 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | cis | -146.8 | 169.2 | -2.2 | -81.5 | 167.4 | 0 | 0 | 0 | 106.2 | ||||
| 775 | S | 29.9 | Very low | 34 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | cis | -166.6 | 153.7 | 10.7 | 40.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 776 | D | 31.8 | Very low | 34.6 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | -139.9 | 143.6 | 172.3 | -92.5 | -45 | 0 | 0 | 0 | 113.8 | ||||
| 777 | L | 34.4 | Very low | 34.9 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 33.2 | 145.2 | 133.1 | -48.2 | 173.2 | 0 | 0 | 0 | 120.8 | ||||
| 778 | S | 36 | Very low | 33.5 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | cis | -172.9 | 164.6 | -9.2 | -100.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 779 | S | 30.1 | Very low | 32.9 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 76.1 | 111.5 | 157.1 | -58.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 780 | S | 29.8 | Very low | 32.9 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 70 | 103.5 | 130.8 | -166.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 781 | S | 33.9 | Very low | 32.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | 71.1 | 108.4 | 132.1 | 179.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 782 | S | 27.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | -160.3 | 153.8 | 129.8 | 72 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 783 | H | 34.7 | Very low | 32.8 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -78.8 | 165.8 | 150.8 | -127 | -12.2 | 0 | 0 | 0 | 107.1 | ||||
| 784 | D | 33.8 | Very low | 32.6 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | cis | -136.5 | -178.4 | 15.6 | -77.3 | -74.7 | 0 | 0 | 0 | 111.2 | ||||
| 785 | D | 38.1 | Very low | 32.2 | Very low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -79.7 | -179.3 | 170.4 | -135 | -2.1 | 0 | 0 | 0 | 110.6 | ||||
| 786 | M | 40.4 | Very low | 32.1 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | cis | -159.5 | 145.7 | 21.5 | -145.4 | -62.2 | 155.7 | 0 | 0 | 110.1 | ||||
| 787 | G | 37.1 | Very low | 31.8 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 171.7 | 134 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 788 | F | 29.3 | Very low | 31.5 | Very low | 197 Ų | 197 | 131.1 Ų | 131.1 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -96.6 | 128.2 | -173.6 | -162.7 | -97.9 | 0 | 0 | 0 | 113.2 | ||||
| 789 | V | 32.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | trans | 40.5 | 119 | 153.4 | -174.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 790 | G | 30.3 | Very low | 30.7 | Very low | 67 Ų | 67 | 135.5 Ų | 135.5 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | 144.8 | 107.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 791 | E | 25.9 | Very low | 31 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | 39.1 | 116.4 | 151.1 | -59 | -176.7 | 136.1 | 0 | 0 | 122.3 | ||||
| 792 | N | 27.1 | Very low | 30.5 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | 41.2 | 150 | 120.6 | -128.6 | 43.3 | 0 | 0 | 0 | 122 | |||||
| 793 | P | 44.9 | Very low | 30.4 | Very low | 71 Ų | 71 | 138 Ų | 138 | 46% | 0.461 | 75% | 0.749 | S | S | . | * | cis | -135.1 | -178.6 | -30.5 | 37 | -19.2 | 0 | 0 | 0 | 114.9 | ||||
| 794 | V | 25.5 | Very low | 29.9 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | 67.7 | 140.9 | 146.7 | 154.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 795 | A | 23.7 | Very low | 29.5 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 54% | 0.537 | 75% | 0.745 | S | S | . | * | cis | -169.8 | 153.1 | -24.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 796 | W | 26.2 | Very low | 28.8 | Very low | 238 Ų | 238 | 136.5 Ų | 136.5 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | 64.3 | 147.5 | 143.6 | -69.6 | 19.3 | 0 | 0 | 0 | 117.4 | ||||
| 797 | I | 27.1 | Very low | 28 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 64% | 0.641 | 75% | 0.75 | S | S | * | * | cis | -161.7 | 165.7 | 11.8 | -132.7 | 177.9 | 0 | 0 | 0 | 112.5 | ||||
| 798 | H | 26.8 | Very low | 27.4 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | trans | 72.4 | 132.1 | 158.3 | -92.8 | -119.8 | 0 | 0 | 0 | 124.6 | ||||
| 799 | E | 24.6 | Very low | 27.1 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | 51.7 | 141 | 136.8 | -73.7 | 178.7 | 135.2 | 0 | 0 | 124.1 | ||||
| 800 | V | 25.3 | Very low | 27.5 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -136.8 | 132.6 | 163.9 | -178.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 801 | P | 34.9 | Very low | 27.3 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | trans | -125.5 | 127.8 | 148.4 | 34.8 | -24.8 | 0 | 0 | 0 | 113.1 | ||||
| 802 | S | 24.9 | Very low | 27.6 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | 56.5 | 120 | 147.7 | 61.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 803 | K | 25.4 | Very low | 27.5 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | 74.8 | 120 | 134.7 | -67.8 | -178 | 176.6 | -176.1 | 0 | 121.4 | ||||
| 804 | N | 24.5 | Very low | 27.8 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | trans | 51.6 | 127.5 | 131.5 | -67.5 | 55.1 | 0 | 0 | 0 | 122.2 | ||||
| 805 | E | 23.8 | Very low | 27.9 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 69.8 | 112.6 | 142.3 | -67.3 | 158.6 | -115.4 | 0 | 0 | 117.5 | ||||
| 806 | C | 24.7 | Very low | 28.1 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | 64.7 | 75.5 | 75.5 | -73.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 807 | S | 22.9 | Very low | 28.2 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | -171.3 | 138.5 | 127.7 | -80.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 808 | L | 25.6 | Very low | 28.2 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 94% | 0.942 | 77% | 0.772 | S | S | * | * | trans | -130.6 | 113.9 | 163.6 | -76.5 | 177.9 | 0 | 0 | 0 | 109.3 | ||||
| 809 | S | 23.1 | Very low | 28.3 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -93.9 | 158 | 162.2 | -51.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 810 | P | 41.1 | Very low | 28.6 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | -136.1 | 163.6 | 93.1 | 35.8 | -21.8 | 0 | 0 | 0 | 112.2 | |||||
| 811 | D | 26.4 | Very low | 29 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | -172.2 | 168.3 | 65 | -159.6 | 0.3 | 0 | 0 | 0 | 112.7 | |||||
| 812 | A | 30.9 | Very low | 28.8 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | trans | 46.2 | 131.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 813 | E | 24.5 | Very low | 29.2 | Very low | 187 Ų | 187 | 142.1 Ų | 142.1 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -86.1 | -171.6 | 166.7 | -63 | -163.3 | 143.4 | 0 | 0 | 113 | ||||
| 814 | P | 52.3 | Low | 29.2 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -126.3 | 177.1 | -6.6 | 23.1 | 3 | 0 | 0 | 0 | 114 | ||||
| 815 | D | 26.4 | Very low | 29.7 | Very low | 140 Ų | 140 | 141 Ų | 141 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | -179.2 | 164.1 | 68.6 | -161.9 | 10.7 | 0 | 0 | 0 | 114.5 | |||||
| 816 | V | 29.7 | Very low | 29.9 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | 30.2 | 123.3 | 166.4 | -77.4 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 817 | S | 28.5 | Very low | 30.4 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 116.9 | 111.6 | 116.4 | 67.4 | 0 | 0 | 0 | 0 | 124 | |||||
| 818 | F | 26.7 | Very low | 30.7 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | 62.6 | 112.8 | 132.7 | -65.6 | -53.7 | 0 | 0 | 0 | 125.9 | ||||
| 819 | Q | 27.6 | Very low | 31 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | 83.2 | 116.5 | 123.2 | -81.5 | -172 | 79.5 | 0 | 0 | 124.5 | |||||
| 820 | R | 31.8 | Very low | 32 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | 83.4 | 104.8 | 116.3 | -172.3 | 176.2 | -72.6 | -85.7 | 7.3 | 120.8 | |||||
| 821 | E | 33.4 | Very low | 32.2 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | 53.6 | 130.9 | 122.5 | -166.6 | -175.5 | -163.1 | 0 | 0 | 120.8 | |||||
| 822 | G | 31.1 | Very low | 32.8 | Very low | 76 Ų | 76 | 147.6 Ų | 147.6 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | 174.6 | 101.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 823 | F | 32.4 | Very low | 33.2 | Very low | 207 Ų | 207 | 150.1 Ų | 150.1 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | trans | -58.6 | 139.3 | 172.6 | -95.3 | -100.7 | 0 | 0 | 0 | 116.9 | ||||
| 824 | A | 26.3 | Very low | 33.9 | Very low | 81 Ų | 81 | 149.2 Ų | 149.2 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | 85.3 | 159.7 | 126 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 825 | R | 33.9 | Very low | 33 | Very low | 211 Ų | 211 | 152.2 Ų | 152.2 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | 87.4 | 116.9 | 153.8 | -71.3 | 179.4 | 179.2 | -101.9 | 3.8 | 121.7 | ||||
| 826 | Q | 29.5 | Very low | 33.8 | Very low | 146 Ų | 146 | 156.1 Ų | 156.1 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | 61.8 | 109 | 125 | -61.1 | 178.4 | -87.6 | 0 | 0 | 121.8 | |||||
| 827 | S | 33.5 | Very low | 33.9 | Very low | 97 Ų | 97 | 159.7 Ų | 159.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | 70.1 | 135.3 | 113.2 | -149.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 828 | M | 30.9 | Very low | 34.1 | Very low | 171 Ų | 171 | 160 Ų | 160 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | 68.6 | 150 | 173.1 | -39 | -56.7 | -77.9 | 0 | 0 | 113.6 | ||||
| 829 | S | 32 | Very low | 35.4 | Very low | 113 Ų | 113 | 157 Ų | 157 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | cis | -157.4 | 159 | 18.3 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 830 | E | 42.6 | Very low | 35.5 | Very low | 174 Ų | 174 | 154.6 Ų | 154.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -73.6 | 153.6 | 167.4 | -178.1 | -164.2 | 159.2 | 0 | 0 | 112.9 | ||||
| 831 | K | 45.1 | Very low | 35.6 | Very low | 185 Ų | 185 | 153.9 Ų | 153.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 155.2 | 133.8 | 142.6 | -87 | 155.9 | -175.2 | 172.5 | 0 | 115.3 | ||||
| 832 | R | 40.9 | Very low | 35.6 | Very low | 226 Ų | 226 | 152.5 Ų | 152.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | 168.9 | 128.6 | 115.6 | -91.9 | 179.8 | -108.7 | -146.1 | -0.7 | 111.4 | |||||
| 833 | I | 38.8 | Very low | 35.6 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | 82.2 | 138.9 | 73.6 | -107.5 | 176.8 | 0 | 0 | 0 | 112.2 | |||||
| 834 | K | 39.6 | Very low | 36 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | cis | -143.5 | -173.8 | 20.2 | -118.6 | 165.9 | -170.3 | -177.3 | 0 | 109.9 | ||||
| 835 | Q | 33.3 | Very low | 36.2 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -152.8 | 178.1 | 30.4 | -158.9 | 151.9 | -48.8 | 0 | 0 | 113.4 | ||||
| 836 | Y | 41.5 | Very low | 36.2 | Very low | 222 Ų | 222 | 153 Ų | 153 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | -140.4 | 159.5 | -169.1 | -92.3 | -86.5 | 0 | 0 | 0 | 112.7 | ||||
| 837 | E | 33.7 | Very low | 36.3 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -173.9 | 161.6 | 144.7 | -100.2 | -172.6 | 167.5 | 0 | 0 | 108.8 | ||||
| 838 | S | 32.7 | Very low | 36.3 | Very low | 107 Ų | 107 | 159.8 Ų | 159.8 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | cis | -162.3 | 154.9 | -31.8 | -151.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 839 | P | 53.7 | Low | 36.3 | Very low | 124 Ų | 124 | 161.2 Ų | 161.2 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -119.4 | 159 | -164.9 | 40.9 | -31.2 | 0 | 0 | 0 | 117.8 | ||||
| 840 | A | 29.3 | Very low | 36.2 | Very low | 94 Ų | 94 | 160.6 Ų | 160.6 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -161.6 | 141.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 841 | H | 32.7 | Very low | 35.7 | Very low | 170 Ų | 170 | 161.9 Ų | 161.9 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | 60.1 | 127.4 | 155.7 | -84.8 | 29.1 | 0 | 0 | 0 | 121.2 | ||||
| 842 | L | 34.1 | Very low | 34.8 | Very low | 129 Ų | 129 | 158.1 Ų | 158.1 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | 93.8 | 146.7 | 48.7 | -77.1 | -157.8 | 0 | 0 | 0 | 113.2 | ||||
| 843 | D | 31.3 | Very low | 34.5 | Very low | 121 Ų | 121 | 155.3 Ų | 155.3 | 65% | 0.647 | 78% | 0.78 | S | S | * | * | cis | -167.2 | 153.6 | -33.1 | -135.6 | 9.8 | 0 | 0 | 0 | 113.7 | ||||
| 844 | I | 40.1 | Very low | 33.9 | Very low | 135 Ų | 135 | 154.7 Ų | 154.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | 18.1 | 123.7 | 155.1 | -54.8 | 160.1 | 0 | 0 | 0 | 121.7 | ||||
| 845 | I | 31.9 | Very low | 33.4 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -138.7 | 104.2 | 146.7 | -60.9 | -172.7 | 0 | 0 | 0 | 114.6 | ||||
| 846 | K | 32.7 | Very low | 33.2 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | 41 | 128 | 131.2 | -55.5 | 173.3 | -174.3 | 169.4 | 0 | 124.2 | ||||
| 847 | N | 32 | Very low | 32.5 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | 77.1 | 95.3 | 128.6 | -66.3 | -0.9 | 0 | 0 | 0 | 124.7 | |||||
| 848 | R | 33.6 | Very low | 32.3 | Very low | 243 Ų | 243 | 147.6 Ų | 147.6 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | 42 | 139.5 | 125.3 | -61.1 | 178.1 | 80 | 164.7 | 4.3 | 122.7 | |||||
| 849 | K | 31.5 | Very low | 32.2 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | trans | 95.3 | 113.9 | 157.5 | -145.1 | -178.1 | -179.9 | -177.2 | 0 | 113 | ||||
| 850 | S | 28.7 | Very low | 31 | Very low | 100 Ų | 100 | 153.1 Ų | 153.1 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | cis | -159 | 144.5 | 44.3 | -51.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 851 | K | 31.8 | Very low | 31 | Very low | 200 Ų | 200 | 156.5 Ų | 156.5 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | 52.8 | 147.5 | 131.3 | -147.1 | 174.8 | -176.3 | -174.1 | 0 | 122.2 | ||||
| 852 | S | 26.5 | Very low | 30.7 | Very low | 106 Ų | 106 | 155.5 Ų | 155.5 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 72 | 107 | -176.3 | 2.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 853 | M | 34 | Very low | 30.6 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | 77.6 | 119.4 | 70.4 | -71 | -72.6 | -62.8 | 0 | 0 | 112.1 | |||||
| 854 | D | 26.5 | Very low | 30.7 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | cis | -153 | 174.9 | -13.3 | -150.4 | -8.4 | 0 | 0 | 0 | 111.5 | ||||
| 855 | L | 30.1 | Very low | 30.3 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -75.3 | 163.2 | -166.4 | -61.3 | 167.1 | 0 | 0 | 0 | 114.9 | ||||
| 856 | G | 28.6 | Very low | 30.2 | Very low | 68 Ų | 68 | 151.4 Ų | 151.4 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | 170.3 | 168.4 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 857 | F | 27.4 | Very low | 30 | Very low | 215 Ų | 215 | 146.9 Ų | 146.9 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | -128.8 | 180 | -176.1 | -116.5 | -95.5 | 0 | 0 | 0 | 111.8 | ||||
| 858 | E | 28.9 | Very low | 30.1 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 92.5 | 104.9 | 167.2 | -58.8 | -159 | 156 | 0 | 0 | 119.9 | ||||
| 859 | E | 30.9 | Very low | 30 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | 44.6 | 125.6 | 102.1 | -152.3 | -158.5 | -111.3 | 0 | 0 | 119.1 | |||||
| 860 | R | 28.9 | Very low | 30.2 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | -174.5 | 169.6 | 113 | -99.8 | 171.6 | -169.8 | 169.6 | 12.1 | 118.5 | |||||
| 861 | Q | 28.6 | Very low | 30.4 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | trans | -74.4 | 156 | -167 | -85.7 | -178.6 | -19.4 | 0 | 0 | 116.7 | ||||
| 862 | I | 26.6 | Very low | 30.5 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 63.1 | 107.4 | 144.4 | -61.9 | 160.5 | 0 | 0 | 0 | 118.3 | ||||
| 863 | G | 31.7 | Very low | 30.8 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | 95.7 | 98.9 | 112.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 864 | S | 33.5 | Very low | 31 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -158.1 | 109.8 | 152.3 | -24.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 865 | S | 31.2 | Very low | 31.4 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | 72.2 | 114.1 | 74.1 | 77.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 866 | L | 29.8 | Very low | 31.4 | Very low | 172 Ų | 172 | 139 Ų | 139 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | 63.1 | 68.6 | 145.1 | -66.6 | 164.2 | 0 | 0 | 0 | 120.1 | ||||
| 867 | G | 29.2 | Very low | 31.7 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | 86 | -167.3 | 105.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 868 | L | 34 | Very low | 31.9 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 75.9 | 109.3 | 176.2 | -56.3 | 178.5 | 0 | 0 | 0 | 120 | ||||
| 869 | K | 31 | Very low | 32.3 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | 75.1 | 112.8 | 130.2 | -64.7 | 172.3 | 176.6 | 170.2 | 0 | 121.2 | ||||
| 870 | K | 35.3 | Very low | 32.2 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 74% | 0.735 | 78% | 0.783 | S | S | * | * | 29.4 | 107 | 120.1 | -62 | -169.9 | 175.6 | -167.9 | 0 | 118.4 | Y1030 | K870-Y1030 PolarHBondContact NZ-OH 3.01Š| |||
| 871 | S | 33 | Very low | 32.1 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -142.4 | 112.7 | 149.7 | -68.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 872 | S | 34.8 | Very low | 32.1 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | 54.6 | 104.1 | 92.3 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 873 | S | 32.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | 93.8 | 126.2 | 64.3 | 176 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 874 | M | 37.9 | Very low | 32.1 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | 7.8 | 124.2 | 164.5 | -54.2 | -167.8 | -54.8 | 0 | 0 | 118.6 | ||||
| 875 | E | 34.9 | Very low | 31.9 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -134.8 | 150.7 | 152.1 | -149.6 | 170.5 | 163.7 | 0 | 0 | 109.9 | ||||
| 876 | S | 31.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 61.4 | 65.5 | 167.5 | -58.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 877 | L | 34.5 | Very low | 31.4 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -92.6 | 129.4 | 139.9 | -134.8 | -177.8 | 0 | 0 | 0 | 108.4 | ||||
| 878 | Q | 31.3 | Very low | 31.2 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 106.2 | 138.2 | 162.9 | -57.7 | -175 | 3.7 | 0 | 0 | 119.5 | ||||
| 879 | K | 37.3 | Very low | 30.9 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 67.5 | 137.6 | 165.6 | -67.4 | 171.3 | -177.2 | 173.4 | 0 | 115.4 | ||||
| 880 | D | 27.9 | Very low | 30.9 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | cis | -123.9 | -172.5 | 19.4 | -84.3 | -41.4 | 0 | 0 | 0 | 112.5 | ||||
| 881 | A | 27.1 | Very low | 30.5 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | cis | 164.6 | 141.5 | -41.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 882 | A | 28.8 | Very low | 30.3 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 62.3 | 127.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 883 | K | 29.5 | Very low | 30.1 | Very low | 203 Ų | 203 | 137.4 Ų | 137.4 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | cis | 74 | 99 | 17.5 | -163.4 | -170.9 | -178.2 | 179.9 | 0 | 115.5 | ||||
| 884 | V | 29.3 | Very low | 30 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -175.5 | 130.4 | 142.8 | 135.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 885 | M | 28.2 | Very low | 29.5 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 50.8 | 128.1 | 151.1 | -60.5 | 176.9 | 74.8 | 0 | 0 | 119.8 | ||||
| 886 | A | 28.1 | Very low | 29.2 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | 59.1 | 140.6 | 83.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 887 | G | 23.8 | Very low | 29 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | cis | 131.1 | 111.6 | 7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 888 | D | 24.7 | Very low | 28.8 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | trans | 175.2 | 137.2 | 159.7 | -93 | -4.2 | 0 | 0 | 0 | 106.6 | ||||
| 889 | E | 26.6 | Very low | 29.2 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | 82.8 | 121.5 | 50.2 | -74.9 | -124.9 | 134.9 | 0 | 0 | 113 | |||||
| 890 | L | 32.3 | Very low | 29.1 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | cis | -131.4 | -137.5 | -7.1 | -58 | 98.1 | 0 | 0 | 0 | 109.6 | ||||
| 891 | N | 26.7 | Very low | 29.5 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | cis | -161.2 | -175.9 | 3.5 | -138.3 | -29.3 | 0 | 0 | 0 | 114.6 | ||||
| 892 | V | 28.3 | Very low | 29.6 | Very low | 115 Ų | 115 | 138 Ų | 138 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | trans | -49.3 | 156 | 176.5 | -84.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 893 | Q | 29.8 | Very low | 30.3 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 62% | 0.621 | 74% | 0.742 | S | S | * | * | cis | -151.6 | 135.9 | 44.8 | -75.7 | -175.9 | 23.6 | 0 | 0 | 117.2 | ||||
| 894 | R | 30.8 | Very low | 30.5 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | trans | 61.9 | 149.5 | 138.2 | -112.9 | -178.3 | -86.6 | 105.1 | 2 | 118.2 | ||||
| 895 | I | 28.1 | Very low | 30.9 | Very low | 149 Ų | 149 | 138 Ų | 138 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | cis | -136.5 | 165.8 | 28.2 | -66.2 | 179.6 | 0 | 0 | 0 | 113.2 | ||||
| 896 | H | 28.7 | Very low | 31.3 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 65% | 0.648 | 73% | 0.729 | S | S | * | * | trans | -46.4 | 170.6 | -178.9 | -61.3 | -18.7 | 0 | 0 | 0 | 119.4 | ||||
| 897 | S | 26.6 | Very low | 32.1 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | cis | -152.3 | 133.2 | 3.6 | 23.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 898 | R | 31.8 | Very low | 33.1 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | 77.6 | 98.3 | 54.9 | -159.8 | -162.2 | -61.6 | -100.2 | 6.6 | 114.5 | |||||
| 899 | I | 38.4 | Very low | 33.6 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 88% | 0.882 | 72% | 0.716 | S | S | * | * | trans | -84.7 | 145.7 | 172.5 | -62.3 | 169.3 | 0 | 0 | 0 | 111 | ||||
| 900 | I | 35 | Very low | 34.7 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | trans | -156.2 | 143.8 | -176.9 | -59.6 | -177.3 | 0 | 0 | 0 | 106.4 | ||||
| 901 | R | 37.8 | Very low | 35.2 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 74% | 0.74 | 73% | 0.73 | S | S | * | * | cis | -120.8 | 177.1 | 0.9 | -98.9 | 136.9 | -178.4 | 176.2 | 0.5 | 107.9 | D207 | D207-R901 PolarHBondContact O-NH1 3.05Å; D207-R901 PolarHBondContact O-NH2 3.44Å; D207-R901 VanDerWaalsContact O-NH2 3.1Å | ||
| 902 | G | 28.9 | Very low | 35.9 | Very low | 62 Ų | 62 | 140.9 Ų | 140.9 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | cis | 123.3 | 127.7 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 903 | R | 43.5 | Very low | 36.5 | Very low | 250 Ų | 250 | 142.1 Ų | 142.1 | 94% | 0.943 | 72% | 0.724 | S | S | * | * | trans | 87.6 | 130.3 | -171.7 | -60.3 | 178.9 | 176.2 | -174 | -2.9 | 113.8 | ||||
| 904 | G | 33.3 | Very low | 36.8 | Very low | 65 Ų | 65 | 141.8 Ų | 141.8 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | cis | 89.6 | 138.8 | 1.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 905 | C | 37.8 | Very low | 37.1 | Very low | 112 Ų | 112 | 142 Ų | 142 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | cis | -137.1 | 173.8 | 9.7 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 906 | N | 36.2 | Very low | 37.4 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | -148 | 92.6 | 81.4 | -84.2 | -26 | 0 | 0 | 0 | 113.2 | S908 | N906-S908 PolarHBondContact O-N 3.5Š| |||
| 907 | E | 44.8 | Very low | 37.6 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -82.1 | 6 | 168.9 | -156.1 | 173.2 | 169.4 | 0 | 0 | 112.3 | ||||
| 908 | S | 44.4 | Very low | 37.8 | Very low | 66 Ų | 66 | 145.7 Ų | 145.7 | 46% | 0.462 | 75% | 0.748 | S | S | . | * | trans | -83.2 | -24.9 | -164.1 | 38.3 | 0 | 0 | 0 | 0 | 115.5 | N906 | N906-S908 PolarHBondContact O-N 3.5Š| ||
| 909 | F | 36.8 | Very low | 37.7 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -78.7 | -32.7 | -175.7 | -106.5 | -86.7 | 0 | 0 | 0 | 114 | A911 | F909-A911 VanDerWaalsContact C-N 3.33Š|
| 910 | R | 47.7 | Very low | 37.3 | Very low | 246 Ų | 246 | 143.7 Ų | 143.7 | 93% | 0.928 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -16.4 | -179.6 | -56.2 | -171.1 | 82.5 | 178.1 | 6.5 | 113.2 | ||
| 911 | A | 43.8 | Very low | 36.9 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -4.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F909 | F909-A911 VanDerWaalsContact C-N 3.33Š|
| 912 | A | 41 | Very low | 36.6 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 55% | 0.545 | 76% | 0.758 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.2 | -15.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 913 | I | 41.4 | Very low | 36.6 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -103.3 | 39.9 | -175.7 | -45.1 | -62.7 | 0 | 0 | 0 | 111.1 | ||
| 914 | D | 36.2 | Very low | 36.8 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -143.3 | 136.1 | 160.2 | -169 | 10 | 0 | 0 | 0 | 109.2 | ||
| 915 | K | 37 | Very low | 36.6 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 67.8 | 59.4 | -177.5 | -53.6 | 170.1 | -170.7 | 165.7 | 0 | 117.7 | ||
| 916 | S | 33.8 | Very low | 36.1 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | -146 | 141.8 | 129.5 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 917 | Y | 34.3 | Very low | 35.8 | Very low | 230 Ų | 230 | 144.6 Ų | 144.6 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | trans | -104.2 | 176 | 176.9 | -105.6 | -114.6 | 0 | 0 | 0 | 109.8 | ||||
| 918 | V | 30.6 | Very low | 34.9 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 98.8 | 85.9 | 161.2 | -167.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 919 | K | 29.7 | Very low | 34.1 | Very low | 188 Ų | 188 | 144 Ų | 144 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | 62.1 | 139.2 | 117.4 | -156.3 | 178.3 | -179.5 | 173.1 | 0 | 121.6 | |||||
| 920 | T | 29.2 | Very low | 33.8 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | 77.8 | 140.6 | 166.8 | -12.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 921 | G | 27.8 | Very low | 32.9 | Very low | 65 Ų | 65 | 137.8 Ų | 137.8 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | cis | 158.1 | 150.8 | -12.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 922 | L | 30.1 | Very low | 32.2 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | 78.8 | 129.4 | 169.8 | -61.8 | 166.4 | 0 | 0 | 0 | 121.3 | ||||
| 923 | I | 29 | Very low | 31.7 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -37.7 | 176.3 | 158.2 | 35.3 | 166.2 | 0 | 0 | 0 | 119.3 | ||||
| 924 | P | 48.3 | Very low | 31.2 | Very low | 98 Ų | 98 | 142 Ų | 142 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -140.7 | -163 | -21.4 | 32.9 | -9.5 | 0 | 0 | 0 | 115 | ||||
| 925 | R | 28 | Very low | 31.2 | Very low | 205 Ų | 205 | 144 Ų | 144 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | trans | 77.7 | 154.3 | 159.7 | -53.8 | -100.8 | 176.8 | -171 | -3.8 | 115.7 | ||||
| 926 | E | 28.3 | Very low | 31 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | cis | -160 | 164.8 | -13.1 | -125.2 | 162.5 | -176 | 0 | 0 | 113 | ||||
| 927 | E | 29.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 48.7 | 130.1 | 148.6 | -85.3 | -171.2 | -155.7 | 0 | 0 | 125.4 | ||||
| 928 | N | 26.8 | Very low | 30.9 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | trans | 87.2 | 141 | 133.9 | -62.9 | -18.9 | 0 | 0 | 0 | 124.7 | ||||
| 929 | S | 27.5 | Very low | 30.7 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | 98.5 | 120.6 | 142.5 | 76.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 930 | V | 29.8 | Very low | 30.8 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | 46.3 | 151.9 | 137 | -48.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 931 | E | 28.1 | Very low | 30.7 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | cis | -162.4 | 167.2 | -0.6 | -129.9 | 172.2 | 142.3 | 0 | 0 | 110 | ||||
| 932 | T | 29 | Very low | 30.9 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | trans | 63.3 | 139.2 | 149.2 | 49.8 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 933 | L | 31.2 | Very low | 30.8 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | 78.3 | 133.7 | 144.8 | -67.4 | 160.2 | 0 | 0 | 0 | 121.5 | ||||
| 934 | D | 30.7 | Very low | 30.8 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 59.3 | 159.8 | 134.5 | -55.8 | -5.3 | 0 | 0 | 0 | 120.5 | ||||
| 935 | E | 37.4 | Very low | 30.1 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | cis | -158.9 | -175.3 | -29.9 | -175.5 | 163 | -138 | 0 | 0 | 106.1 | ||||
| 936 | D | 31.1 | Very low | 30.1 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | -29.4 | 127.3 | -178.2 | -84.4 | -51.5 | 0 | 0 | 0 | 118.5 | ||||
| 937 | T | 32.7 | Very low | 30.3 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | 94.6 | 171 | 79 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 938 | E | 33.3 | Very low | 30.2 | Very low | 162 Ų | 162 | 137 Ų | 137 | 76% | 0.757 | 73% | 0.734 | S | S | * | * | trans | 83.3 | 79.7 | 171.6 | -49.8 | -57.1 | 153 | 0 | 0 | 121.1 | ||||
| 939 | D | 26.3 | Very low | 30.3 | Very low | 151 Ų | 151 | 134.8 Ų | 134.8 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | 50.9 | 153.6 | 117.5 | -100.7 | 24.9 | 0 | 0 | 0 | 127.2 | |||||
| 940 | S | 31.8 | Very low | 30.4 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 57% | 0.573 | 73% | 0.731 | S | S | * | * | trans | 72.1 | 150.2 | 163.5 | -81.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 941 | Y | 27 | Very low | 30.5 | Very low | 218 Ų | 218 | 135.6 Ų | 135.6 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | cis | -125.3 | 141.8 | 26.2 | -66.1 | -90.7 | 0 | 0 | 0 | 113.5 | ||||
| 942 | R | 33 | Very low | 30.5 | Very low | 214 Ų | 214 | 131.9 Ų | 131.9 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | 73.5 | 95.7 | 65.7 | -117.3 | -164.8 | -164.8 | -138.7 | 14.4 | 115.6 | |||||
| 943 | S | 26.9 | Very low | 30.4 | Very low | 129 Ų | 129 | 134 Ų | 134 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | trans | -166.5 | 153.2 | 134.2 | 62.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 944 | G | 30 | Very low | 30.5 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | cis | 155.1 | 139.1 | -14.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 945 | L | 33.5 | Very low | 30.4 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | 68.8 | 159.7 | 161.4 | -46.4 | -179.2 | 0 | 0 | 0 | 115.2 | ||||
| 946 | E | 28.1 | Very low | 30.1 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | cis | -170.7 | 173.3 | -18.3 | -112.4 | -158 | -72.1 | 0 | 0 | 108.9 | ||||
| 947 | S | 32.7 | Very low | 29.9 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 49% | 0.49 | 75% | 0.754 | S | S | . | * | cis | -166.1 | 160.9 | -19.7 | -132.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 948 | M | 26.3 | Very low | 29.6 | Very low | 162 Ų | 162 | 130.3 Ų | 130.3 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | 55 | -173.2 | 151.4 | -62.6 | -68.1 | 106.5 | 0 | 0 | 117.6 | ||||
| 949 | S | 29.2 | Very low | 29.2 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 58% | 0.58 | 76% | 0.763 | S | S | * | * | -152.3 | 166.7 | -61.6 | -90.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 950 | T | 30 | Very low | 29.3 | Very low | 124 Ų | 124 | 127 Ų | 127 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | 33.3 | 118.8 | 150.9 | 56 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 951 | S | 31.2 | Very low | 29.2 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | 57.5 | 134 | 135.1 | 64.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 952 | G | 30.1 | Very low | 29.4 | Very low | 76 Ų | 76 | 125.8 Ų | 125.8 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | 117.4 | 98.4 | 125.5 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 953 | D | 26.7 | Very low | 29.3 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | 61.6 | -179.6 | 150.2 | -127.1 | -36.9 | 0 | 0 | 0 | 121.2 | ||||
| 954 | L | 32.5 | Very low | 29.4 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | -128.8 | 138.9 | -153.4 | -61.4 | 167.6 | 0 | 0 | 0 | 115.5 | ||||
| 955 | S | 28.6 | Very low | 29.6 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | 51.6 | 145.3 | 138.3 | 69.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 956 | L | 31.6 | Very low | 29.5 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | cis | -171.3 | 172 | 2.4 | -119.3 | 173.2 | 0 | 0 | 0 | 112.2 | ||||
| 957 | S | 27 | Very low | 29.5 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | 81.1 | 148.4 | 154.5 | 79.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 958 | G | 25.3 | Very low | 29.2 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | cis | 167.8 | -177.5 | -8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 959 | G | 25 | Very low | 29.3 | Very low | 77 Ų | 77 | 120.6 Ų | 120.6 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | 97.9 | 154.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 960 | L | 28.6 | Very low | 29.2 | Very low | 167 Ų | 167 | 125.2 Ų | 125.2 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | cis | -164.5 | 179.2 | -1.9 | -163.5 | 58.8 | 0 | 0 | 0 | 110.5 | ||||
| 961 | V | 30 | Very low | 28.9 | Very low | 127 Ų | 127 | 123 Ų | 123 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 81.5 | 128.2 | 173.2 | -174.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 962 | D | 30.9 | Very low | 28.7 | Very low | 147 Ų | 147 | 120.8 Ų | 120.8 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | cis | 101.8 | 121.6 | 9.3 | -160.8 | 4.3 | 0 | 0 | 0 | 116.7 | ||||
| 963 | D | 30.1 | Very low | 29.2 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | trans | -169.7 | 131.3 | 132.4 | -160.6 | -140.5 | 0 | 0 | 0 | 114 | ||||
| 964 | K | 29.5 | Very low | 29.4 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 60% | 0.596 | 76% | 0.757 | S | S | * | * | trans | 66 | 119.2 | 157.1 | -77.7 | 174 | -166.1 | 69.8 | 0 | 121.5 | ||||
| 965 | Q | 34.5 | Very low | 29.3 | Very low | 158 Ų | 158 | 123 Ų | 123 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 75.6 | 138.3 | 81 | -73.3 | -174.8 | -22.2 | 0 | 0 | 114.2 | |||||
| 966 | K | 32.2 | Very low | 29.2 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 67% | 0.665 | 75% | 0.749 | S | S | * | * | cis | -158.9 | 175.4 | 8 | -123.5 | 176.4 | 168.7 | -73.3 | 0 | 108.3 | ||||
| 967 | D | 27 | Very low | 29.1 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | cis | -134.4 | -134.8 | 2.3 | -138.5 | -19.3 | 0 | 0 | 0 | 109.6 | ||||
| 968 | G | 27 | Very low | 28.9 | Very low | 65 Ų | 65 | 123.2 Ų | 123.2 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | cis | 114.3 | 131.2 | -4.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 969 | A | 27.4 | Very low | 29.1 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | cis | -166.5 | 172.9 | -9.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 970 | L | 27.8 | Very low | 29.3 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 94% | 0.942 | 73% | 0.728 | S | S | * | * | trans | 72.8 | 142.3 | 170.2 | -47.6 | 174 | 0 | 0 | 0 | 117 | ||||
| 971 | G | 24.6 | Very low | 29.3 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | cis | -175.8 | 156.6 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 972 | G | 25.4 | Very low | 29.3 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | trans | -94.1 | -147 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 973 | P | 41.6 | Very low | 29.4 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | cis | -147.1 | -168.8 | -2.8 | 45.3 | -26.9 | 0 | 0 | 0 | 115.9 | ||||
| 974 | K | 31.3 | Very low | 29.6 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | trans | 71 | 163.7 | 152 | -76 | 177.3 | 160.3 | -143.8 | 0 | 117.9 | ||||
| 975 | E | 29.2 | Very low | 29.9 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 64% | 0.64 | 72% | 0.72 | S | S | * | * | cis | -156.3 | -176.8 | -0.5 | -134.6 | 171.1 | -133.2 | 0 | 0 | 113.9 | ||||
| 976 | T | 28.4 | Very low | 29.8 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | trans | 76.9 | 151.4 | 166.4 | 73.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 977 | K | 27.8 | Very low | 29.9 | Very low | 185 Ų | 185 | 127.8 Ų | 127.8 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | cis | -169.9 | 164.3 | -12 | -104.4 | 165.5 | -169.3 | 167.9 | 0 | 107.9 | ||||
| 978 | S | 24 | Very low | 30.1 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | cis | 178.5 | 144.6 | -29.7 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 979 | V | 28.8 | Very low | 30.7 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | trans | 83.8 | 143.6 | 142.6 | 165 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 980 | D | 28.5 | Very low | 31.8 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | trans | 68.1 | 155 | 163.3 | -78.4 | 4 | 0 | 0 | 0 | 120.9 | ||||
| 981 | K | 30.3 | Very low | 32.3 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | cis | -162.7 | 129.5 | -24.6 | -112.4 | 176.7 | -173.8 | 77.7 | 0 | 107.2 | ||||
| 982 | E | 29.6 | Very low | 32.9 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | 58.3 | 133.5 | 92.9 | -157.3 | -174.8 | -158.4 | 0 | 0 | 118.2 | |||||
| 983 | K | 33.2 | Very low | 33.3 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | trans | 105 | 146.3 | 171 | -68.7 | -174.4 | 166.6 | -166.3 | 0 | 116.3 | ||||
| 984 | D | 34.3 | Very low | 33 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | cis | -139.2 | 148.3 | -10 | -96.7 | -39.5 | 0 | 0 | 0 | 107.1 | ||||
| 985 | K | 35 | Very low | 33.2 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 71% | 0.709 | 71% | 0.71 | S | S | * | * | 68.8 | 140 | 62.5 | -87.3 | 175.6 | -176.7 | 158.6 | 0 | 114 | |||||
| 986 | D | 33.3 | Very low | 33.7 | Very low | 103 Ų | 103 | 144 Ų | 144 | 55% | 0.551 | 72% | 0.721 | S | S | * | * | cis | -166 | 170.9 | 10 | -143.3 | -24 | 0 | 0 | 0 | 114.3 | ||||
| 987 | K | 33.4 | Very low | 33.8 | Very low | 152 Ų | 152 | 142 Ų | 142 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | trans | 70.4 | 147.3 | 154.5 | -66.3 | 162.4 | -171.6 | 87.5 | 0 | 118.5 | ||||
| 988 | N | 31 | Very low | 34.1 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 57% | 0.572 | 72% | 0.723 | S | S | * | * | cis | -161.6 | 122.3 | 2.2 | -117.3 | -19.7 | 0 | 0 | 0 | 114.6 | ||||
| 989 | K | 38.8 | Very low | 34.2 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | 63.7 | 178.9 | 130.9 | -65.4 | 178 | -174.8 | 172.4 | 0 | 120 | ||||
| 990 | P | 50.9 | Low | 34.3 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | -142.6 | 166.2 | -62.8 | 41.6 | -26.1 | 0 | 0 | 0 | 116 | |||||
| 991 | K | 38.5 | Very low | 34.6 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | 145.3 | 148 | 128.8 | -84 | 152.2 | -179 | 173.3 | 0 | 117 | |||||
| 992 | K | 38.3 | Very low | 34.7 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | trans | 64.7 | 149.7 | 161.4 | -69.6 | 177.5 | 179.1 | -176.7 | 0 | 117.7 | ||||
| 993 | G | 32.1 | Very low | 35 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | cis | 146.4 | 97.1 | -14.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 994 | V | 36 | Very low | 34.9 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | trans | 33.7 | 123.5 | 143.5 | -173.3 | 0 | 0 | 0 | 0 | 119.1 | R996 | V994-R996 HydrophobicContact CG1-CB 3.95Š| ||
| 995 | L | 36.2 | Very low | 34.8 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 94% | 0.937 | 73% | 0.731 | S | S | * | * | -129.6 | 143.5 | 129.8 | -118.5 | 170.1 | 0 | 0 | 0 | 109.6 | |||||
| 996 | R | 39.4 | Very low | 34.7 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | trans | -152.6 | 135.9 | -164.6 | 176.9 | -167 | -171.2 | -132.3 | 6.5 | 109.4 | V994 | V994-R996 HydrophobicContact CG1-CB 3.95Š| ||
| 997 | G | 30.8 | Very low | 34.7 | Very low | 64 Ų | 64 | 142.7 Ų | 142.7 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | 144.8 | 171.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 998 | L | 34 | Very low | 34.8 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | cis | -167.5 | 139.5 | -22.1 | -124.1 | 165.8 | 0 | 0 | 0 | 105.3 | ||||
| 999 | G | 26.5 | Very low | 35.3 | Very low | 82 Ų | 82 | 146.6 Ų | 146.6 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -165.9 | 48.3 | -170 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1000 | E | 30.1 | Very low | 35.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | trans | -91.2 | 154.7 | 179.3 | -140.5 | -172.9 | 142 | 0 | 0 | 111.4 | ||||
| 1001 | M | 34.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 62% | 0.616 | 76% | 0.76 | S | S | * | * | trans | 76.9 | 131.2 | 159.2 | -60.4 | 147.7 | 57.5 | 0 | 0 | 119.9 | ||||
| 1002 | F | 32.2 | Very low | 34.6 | Very low | 145 Ų | 145 | 143 Ų | 143 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | 81.6 | 139.7 | 159 | -50.3 | -49.4 | 0 | 0 | 0 | 118.2 | ||||
| 1003 | R | 37.1 | Very low | 34.9 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | cis | -157.6 | 141.2 | 2.2 | -131.9 | 174.2 | -76.5 | -102.5 | -1.3 | 113.2 | ||||
| 1004 | F | 30.7 | Very low | 35.4 | Very low | 201 Ų | 201 | 144 Ų | 144 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | 62 | 155.3 | 164.7 | -55 | -59.8 | 0 | 0 | 0 | 119 | ||||
| 1005 | G | 31.5 | Very low | 35.4 | Very low | 60 Ų | 60 | 145.3 Ų | 145.3 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | cis | 154 | 145.8 | -13.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1006 | K | 34 | Very low | 35.6 | Very low | 221 Ų | 221 | 148.1 Ų | 148.1 | 96% | 0.961 | 75% | 0.751 | S | S | * | * | trans | 74.1 | 143.9 | -174 | -55 | 178.7 | 178.2 | 177.6 | 0 | 114.2 | ||||
| 1007 | G | 33 | Very low | 35.4 | Very low | 76 Ų | 76 | 146.8 Ų | 146.8 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | cis | 138.9 | 142.8 | 1.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1008 | K | 35.3 | Very low | 35.4 | Very low | 196 Ų | 196 | 149.7 Ų | 149.7 | 85% | 0.852 | 76% | 0.761 | S | S | * | * | cis | -133.1 | 153 | 26.5 | -91.1 | -177.1 | 174.1 | -175.2 | 0 | 111 | ||||
| 1009 | K | 40.7 | Very low | 35.8 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | 55.2 | 131.9 | 83.7 | -89.8 | -168.4 | 150.2 | -76.1 | 0 | 112.9 | E1011 | K1009-E1011 IonicContact NZ-OE1 2.9Å; K1009-E1011 PolarHBondContact NZ-OE1 3.34Å | |||
| 1010 | D | 36.5 | Very low | 36.5 | Very low | 106 Ų | 106 | 155.5 Ų | 155.5 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | cis | -147.2 | 160.3 | 22.7 | -117.8 | -33.9 | 0 | 0 | 0 | 119.5 | ||||
| 1011 | E | 38.3 | Very low | 37 | Very low | 151 Ų | 151 | 160 Ų | 160 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 9.6 | 150.3 | 161.1 | -72.5 | 144.6 | -158.4 | 0 | 0 | 121.8 | K1009 | K1009-E1011 IonicContact NZ-OE1 2.9Å; K1009-E1011 PolarHBondContact NZ-OE1 3.34Å | ||
| 1012 | D | 38.7 | Very low | 37.4 | Very low | 132 Ų | 132 | 159 Ų | 159 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -147.3 | -169.3 | 17.9 | -151.3 | -19.5 | 0 | 0 | 0 | 113.7 | ||||
| 1013 | K | 44.7 | Very low | 38 | Very low | 175 Ų | 175 | 161.2 Ų | 161.2 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -58.8 | 164.3 | -176.9 | -63.4 | 155.7 | -172 | 157.4 | 0 | 114.8 | ||||
| 1014 | V | 43.8 | Very low | 38.3 | Very low | 122 Ų | 122 | 156 Ų | 156 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | cis | -153.8 | 159.6 | 44.9 | -80.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 1015 | D | 35.6 | Very low | 39.1 | Very low | 155 Ų | 155 | 153.6 Ų | 153.6 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | trans | 64.4 | 159.2 | 153.8 | -70.7 | -44.6 | 0 | 0 | 0 | 123 | ||||
| 1016 | R | 40.9 | Very low | 39.8 | Very low | 239 Ų | 239 | 157.2 Ų | 157.2 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -152.6 | 155.9 | -160 | -66.3 | 173.9 | 160.2 | 150.4 | -7.4 | 113.3 | ||||
| 1017 | K | 34.7 | Very low | 40.7 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | 112.1 | 76 | 128.2 | -156.6 | 178.1 | -176.5 | -178.5 | 0 | 118.5 | |||||
| 1018 | S | 31.2 | Very low | 41.6 | Very low | 125 Ų | 125 | 157.2 Ų | 157.2 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -146.2 | 84.1 | 163.8 | 38.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1019 | S | 41.4 | Very low | 42.4 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -162.6 | 96.7 | 166.3 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1020 | R | 42.8 | Very low | 43.1 | Very low | 252 Ų | 252 | 149.5 Ų | 149.5 | 95% | 0.951 | 73% | 0.731 | S | S | * | * | trans | -167.4 | 60 | 164.7 | -76.3 | -150.3 | 178.1 | -179 | -1.9 | 112.6 | ||||
| 1021 | R | 38.7 | Very low | 44.5 | Very low | 249 Ų | 249 | 149 Ų | 149 | 94% | 0.94 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -158.9 | 57.2 | 167.6 | -151.9 | 171.1 | -173.8 | 157.9 | 1.5 | 115.5 | ||
| 1022 | S | 42.9 | Very low | 45.9 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -165.1 | 56.6 | 176.1 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1023 | K | 44.9 | Very low | 47.5 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | trans | -159.7 | 47 | 178.4 | -152.2 | 155.1 | -170.3 | 159.7 | 0 | 114.1 | ||||
| 1024 | A | 44.4 | Very low | 49 | Very low | 63 Ų | 63 | 140.5 Ų | 140.5 | 52% | 0.521 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -122.4 | -52.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1026 R1027 | A1024-D1026 PolarHBondContact O-N 3.06Å; A1024-R1027 PolarHBondContact O-N 2.75Å |
| 1025 | E | 46.6 | Very low | 50.9 | Low | 150 Ų | 150 | 138.8 Ų | 138.8 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -61.4 | -42.4 | -173.6 | -69.5 | 98 | 159.9 | 0 | 0 | 114.3 | R1027 Q1028 | E1025-R1027 PolarHBondContact O-N 3.47Å; E1025-Q1028 PolarHBondContact O-N 3.31Å; E1025-Q1028 VanDerWaalsContact O-N 3.12Å |
| 1026 | D | 47.2 | Very low | 53 | Low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -58.1 | -11.2 | -177 | -61.8 | -30.3 | 0 | 0 | 0 | 115.6 | A1024 | A1024-D1026 PolarHBondContact O-N 3.06Š|
| 1027 | R | 52.9 | Low | 54.9 | Low | 170 Ų | 170 | 132.4 Ų | 132.4 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -90.3 | -27.3 | 179.1 | -75.7 | -163.8 | 61.9 | 158 | -1.8 | 114.2 | A1024 E1025 E1031 | A1024-R1027 PolarHBondContact O-N 2.75Å; E1025-R1027 PolarHBondContact O-N 3.47Å; R1027-E1031 IonicContact NE-OE1 3.89Å; R1027-E1031 IonicContact NH2-OE1 3.21Å; R1027-E1031 PolarHBondContact NH2-OE1 2.99Å; R1027-E1031 WeakPolarHBondContact O-CG 3.27Å |
| 1028 | Q | 51 | Low | 57.4 | Low | 127 Ų | 127 | 129.3 Ų | 129.3 | 59% | 0.593 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80.1 | -38.1 | -173.9 | -74.5 | 175.5 | -114 | 0 | 0 | 111.9 | E1025 Y1030 E1031 D1032 | E1025-Q1028 PolarHBondContact O-N 3.31Å; E1025-Q1028 VanDerWaalsContact O-N 3.12Å; Q1028-Y1030 VanDerWaalsContact C-N 3.32Å; Q1028-Y1030 PolarHBondContact O-N 3.41Å; Q1028-E1031 PolarHBondContact O-N 3.44Å; Q1028-D1032 PolarHBondContact O-N 2.98Å |
| 1029 | G | 52.7 | Low | 60.1 | Low | 43 Ų | 43 | 129.1 Ų | 129.1 | 44% | 0.443 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -56.5 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | E1031 D1032 E1033 | G1029-E1031 VanDerWaalsContact C-N 3.35Å; G1029-E1031 PolarHBondContact O-N 2.88Å; G1029-D1032 PolarHBondContact O-N 3.45Å; G1029-E1033 WeakPolarHBondContact O-CB 3.42Å; G1029-E1033 WeakPolarHBondContact O-CG 3.48Å; G1029-E1033 PolarHBondContact O-N 3.23Å |
| 1030 | Y | 54.7 | Low | 62.2 | Low | 137 Ų | 137 | 127.5 Ų | 127.5 | 54% | 0.537 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.8 | -27 | 176.3 | -108.4 | -96.2 | 0 | 0 | 0 | 113.7 | K870 Q1028 T1034 | K870-Y1030 PolarHBondContact NZ-OH 3.01Å; Q1028-Y1030 VanDerWaalsContact C-N 3.32Å; Q1028-Y1030 PolarHBondContact O-N 3.41Å; Y1030-T1034 WeakPolarHBondContact O-CG2 3.3Å; Y1030-T1034 PolarHBondContact O-N 3.13Å; Y1030-T1034 PolarHBondContact O-OG1 3.41Å |
| 1031 | E | 65.9 | Low | 64.1 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 45% | 0.449 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -79.8 | -38 | 176.3 | -70.7 | 174.5 | -166.8 | 0 | 0 | 109.8 | R1027 Q1028 G1029 T1034 I1035 | R1027-E1031 IonicContact NE-OE1 3.89Å; R1027-E1031 IonicContact NH2-OE1 3.21Å; R1027-E1031 PolarHBondContact NH2-OE1 2.99Å; R1027-E1031 WeakPolarHBondContact O-CG 3.27Å; Q1028-E1031 PolarHBondContact O-N 3.44Å; G1029-E1031 VanDerWaalsContact C-N 3.35Å; G1029-E1031 PolarHBondContact O-N 2.88Å; E1031-T1034 PolarHBondContact O-OG1 2.81Å; E1031-T1034 VanDerWaalsContact O-OG1 3.11Å; E1031-I1035 WeakPolarHBondContact O-CD1 3.28Å; E1031-I1035 VanDerWaalsContact O-CG1 3.26Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.19Å; E1031-I1035 PolarHBondContact O-N 3.28Å; E1031-I1035 VanDerWaalsContact O-N 3.09Å |
| 1032 | D | 67.4 | Low | 66.5 | Low | 90 Ų | 90 | 115.2 Ų | 115.2 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.6 | -42.7 | 173.5 | -72.6 | -36 | 0 | 0 | 0 | 113.2 | Q1028 G1029 T1034 I1035 Q1036 | Q1028-D1032 PolarHBondContact O-N 2.98Å; G1029-D1032 PolarHBondContact O-N 3.45Å; D1032-T1034 VanDerWaalsContact C-N 3.28Å; D1032-T1034 PolarHBondContact O-N 2.58Å; D1032-I1035 PolarHBondContact O-N 3.42Å; D1032-I1035 VanDerWaalsContact O-N 3.16Å; D1032-Q1036 WeakPolarHBondContact O-CG 3.47Å; D1032-Q1036 PolarHBondContact O-N 3.24Å |
| 1033 | E | 72.9 | Confident | 68.8 | Low | 113 Ų | 113 | 116.9 Ų | 116.9 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.9 | -40.9 | 173.4 | -82.6 | -174.2 | 162.4 | 0 | 0 | 111.8 | G1029 Q1036 M1037 | G1029-E1033 WeakPolarHBondContact O-CB 3.42Å; G1029-E1033 WeakPolarHBondContact O-CG 3.48Å; G1029-E1033 PolarHBondContact O-N 3.23Å; E1033-Q1036 PolarHBondContact O-N 2.91Å; E1033-M1037 VanDerWaalsContact O-CB 3.27Å; E1033-M1037 WeakPolarHBondContact O-CB 3.42Å; E1033-M1037 PolarHBondContact O-N 2.85Å |
| 1034 | T | 76.3 | Confident | 71 | Confident | 76 Ų | 76 | 112 Ų | 112 | 47% | 0.466 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -75.7 | -25.8 | 179.4 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | Y1030 E1031 D1032 K1038 | Y1030-T1034 WeakPolarHBondContact O-CG2 3.3Å; Y1030-T1034 PolarHBondContact O-N 3.13Å; Y1030-T1034 PolarHBondContact O-OG1 3.41Å; E1031-T1034 PolarHBondContact O-OG1 2.81Å; E1031-T1034 VanDerWaalsContact O-OG1 3.11Å; D1032-T1034 VanDerWaalsContact C-N 3.28Å; D1032-T1034 PolarHBondContact O-N 2.58Å; T1034-K1038 WeakPolarHBondContact O-CB 3.37Å; T1034-K1038 PolarHBondContact O-N 2.83Å |
| 1035 | I | 83 | Confident | 72.9 | Confident | 85 Ų | 85 | 114.4 Ų | 114.4 | 44% | 0.436 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.8 | -46.9 | 168.1 | -70.4 | 164 | 0 | 0 | 0 | 110.7 | E1031 D1032 K1038 Q1039 | E1031-I1035 WeakPolarHBondContact O-CD1 3.28Å; E1031-I1035 VanDerWaalsContact O-CG1 3.26Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.19Å; E1031-I1035 PolarHBondContact O-N 3.28Å; E1031-I1035 VanDerWaalsContact O-N 3.09Å; D1032-I1035 PolarHBondContact O-N 3.42Å; D1032-I1035 VanDerWaalsContact O-N 3.16Å; I1035-K1038 PolarHBondContact O-N 2.68Å; I1035-Q1039 HydrophobicContact CG2-CG 4.46Å; I1035-Q1039 WeakPolarHBondContact O-CG 3.36Å; I1035-Q1039 PolarHBondContact O-N 2.91Å |
| 1036 | Q | 80.3 | Confident | 74.9 | Confident | 131 Ų | 131 | 109.6 Ų | 109.6 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -46.6 | 177.6 | -71.7 | -175.1 | 8.4 | 0 | 0 | 112.1 | D1032 E1033 K1038 Q1039 E1040 | D1032-Q1036 WeakPolarHBondContact O-CG 3.47Å; D1032-Q1036 PolarHBondContact O-N 3.24Å; E1033-Q1036 PolarHBondContact O-N 2.91Å; Q1036-K1038 VanDerWaalsContact C-N 3.25Å; Q1036-K1038 PolarHBondContact O-N 3.1Å; Q1036-Q1039 PolarHBondContact O-N 3.47Å; Q1036-Q1039 VanDerWaalsContact O-N 3.12Å; Q1036-E1040 PolarHBondContact O-N 2.61Å |
| 1037 | M | 81.2 | Confident | 76.8 | Confident | 129 Ų | 129 | 108.7 Ų | 108.7 | 64% | 0.635 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.7 | -38.5 | 176.9 | -170.3 | -167.5 | -50.9 | 0 | 0 | 111.9 | E1033 Q1041 | E1033-M1037 VanDerWaalsContact O-CB 3.27Å; E1033-M1037 WeakPolarHBondContact O-CB 3.42Å; E1033-M1037 PolarHBondContact O-N 2.85Å; M1037-Q1041 WeakPolarHBondContact O-CB 3.21Å; M1037-Q1041 PolarHBondContact O-N 3.18Å; M1037-Q1041 VanDerWaalsContact O-N 3.08Å |
| 1038 | K | 86.8 | Confident | 78.4 | Confident | 137 Ų | 137 | 103.9 Ų | 103.9 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.3 | -44 | 174.3 | -175.4 | -172.1 | 171.5 | -164 | 0 | 111.8 | T1034 I1035 Q1036 Q1041 E1042 | T1034-K1038 WeakPolarHBondContact O-CB 3.37Å; T1034-K1038 PolarHBondContact O-N 2.83Å; I1035-K1038 PolarHBondContact O-N 2.68Å; Q1036-K1038 VanDerWaalsContact C-N 3.25Å; Q1036-K1038 PolarHBondContact O-N 3.1Å; K1038-Q1041 PolarHBondContact O-N 2.98Å; K1038-E1042 VanDerWaalsContact O-CB 3.31Å; K1038-E1042 WeakPolarHBondContact O-CB 3.36Å; K1038-E1042 PolarHBondContact O-N 3.48Å |
| 1039 | Q | 88.1 | Confident | 80.2 | Confident | 120 Ų | 120 | 106 Ų | 106 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | 178.1 | -74.9 | 175.2 | 1.3 | 0 | 0 | 112 | I1035 Q1036 E1042 R1043 | I1035-Q1039 HydrophobicContact CG2-CG 4.46Å; I1035-Q1039 WeakPolarHBondContact O-CG 3.36Å; I1035-Q1039 PolarHBondContact O-N 2.91Å; Q1036-Q1039 PolarHBondContact O-N 3.47Å; Q1036-Q1039 VanDerWaalsContact O-N 3.12Å; Q1039-E1042 PolarHBondContact O-N 3.31Å; Q1039-R1043 WeakPolarHBondContact O-CB 3.46Å; Q1039-R1043 PolarHBondContact O-N 3.3Å |
| 1040 | E | 86.3 | Confident | 82 | Confident | 80 Ų | 80 | 109.1 Ų | 109.1 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 176.1 | 179 | 55.7 | -160.6 | 0 | 0 | 111.7 | Q1036 E1042 R1043 I1044 | Q1036-E1040 PolarHBondContact O-N 2.61Å; E1040-E1042 VanDerWaalsContact C-N 3.32Å; E1040-E1042 PolarHBondContact O-N 3.02Å; E1040-R1043 WeakPolarHBondContact O-CB 3.28Å; E1040-R1043 PolarHBondContact O-N 2.77Å; E1040-R1043 IonicContact OE1-CZ 3.5Å; E1040-R1043 IonicContact OE1-NE 3.49Å; E1040-R1043 PolarHBondContact OE1-NE 3.27Å; E1040-R1043 IonicContact OE1-NH2 2.68Å; E1040-R1043 PolarHBondContact OE1-NH2 2.85Å; E1040-R1043 IonicContact OE2-CZ 2.78Å; E1040-R1043 IonicContact OE2-NE 3.25Å; E1040-R1043 PolarHBondContact OE2-NE 3.35Å; E1040-R1043 IonicContact OE2-NH2 2.9Å; E1040-R1043 PolarHBondContact OE2-NH2 3.03Å; E1040-I1044 HydrophobicContact CG-CD1 4.11Å; E1040-I1044 VanDerWaalsContact O-CG1 3.3Å; E1040-I1044 WeakPolarHBondContact O-CG1 2.89Å; E1040-I1044 PolarHBondContact O-N 3.01Å |
| 1041 | Q | 82.3 | Confident | 83.6 | Confident | 123 Ų | 123 | 106.6 Ų | 106.6 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -38.6 | 173.6 | -173.5 | 174.7 | 66.3 | 0 | 0 | 112 | M1037 K1038 I1044 Q1045 | M1037-Q1041 WeakPolarHBondContact O-CB 3.21Å; M1037-Q1041 PolarHBondContact O-N 3.18Å; M1037-Q1041 VanDerWaalsContact O-N 3.08Å; K1038-Q1041 PolarHBondContact O-N 2.98Å; Q1041-I1044 PolarHBondContact O-N 3.08Å; Q1041-Q1045 WeakPolarHBondContact O-CG 3.11Å; Q1041-Q1045 PolarHBondContact O-N 3.48Å |
| 1042 | E | 89.1 | Confident | 84.7 | Confident | 119 Ų | 119 | 109.5 Ų | 109.5 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.7 | -40.7 | 174.2 | -175 | 162.5 | -170 | 0 | 0 | 111.6 | K1038 Q1039 E1040 I1044 Q1045 A1046 | K1038-E1042 VanDerWaalsContact O-CB 3.31Å; K1038-E1042 WeakPolarHBondContact O-CB 3.36Å; K1038-E1042 PolarHBondContact O-N 3.48Å; Q1039-E1042 PolarHBondContact O-N 3.31Å; E1040-E1042 VanDerWaalsContact C-N 3.32Å; E1040-E1042 PolarHBondContact O-N 3.02Å; E1042-I1044 PolarHBondContact O-N 3.48Å; E1042-Q1045 PolarHBondContact O-N 2.83Å; E1042-A1046 VanDerWaalsContact O-CB 3.29Å; E1042-A1046 WeakPolarHBondContact O-CB 3.28Å; E1042-A1046 PolarHBondContact O-N 3.02Å |
| 1043 | R | 91.3 | Very high | 85.7 | Confident | 139 Ų | 139 | 110 Ų | 110 | 53% | 0.525 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 173.9 | -166.6 | -170.8 | 71.6 | 91 | 2.4 | 112.1 | Q1039 E1040 A1046 K1047 | Q1039-R1043 WeakPolarHBondContact O-CB 3.46Å; Q1039-R1043 PolarHBondContact O-N 3.3Å; E1040-R1043 WeakPolarHBondContact O-CB 3.28Å; E1040-R1043 PolarHBondContact O-N 2.77Å; E1040-R1043 IonicContact OE1-CZ 3.5Å; E1040-R1043 IonicContact OE1-NE 3.49Å; E1040-R1043 PolarHBondContact OE1-NE 3.27Å; E1040-R1043 IonicContact OE1-NH2 2.68Å; E1040-R1043 PolarHBondContact OE1-NH2 2.85Å; E1040-R1043 IonicContact OE2-CZ 2.78Å; E1040-R1043 IonicContact OE2-NE 3.25Å; E1040-R1043 PolarHBondContact OE2-NE 3.35Å; E1040-R1043 IonicContact OE2-NH2 2.9Å; E1040-R1043 PolarHBondContact OE2-NH2 3.03Å; R1043-A1046 PolarHBondContact O-N 3.02Å; R1043-K1047 WeakPolarHBondContact O-CB 3.4Å; R1043-K1047 PolarHBondContact O-N 2.88Å |
| 1044 | I | 90.3 | Very high | 86.5 | Confident | 88 Ų | 88 | 113 Ų | 113 | 45% | 0.451 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.3 | -68.9 | 164.6 | 0 | 0 | 0 | 110.6 | E1040 Q1041 E1042 T1048 | E1040-I1044 HydrophobicContact CG-CD1 4.11Å; E1040-I1044 VanDerWaalsContact O-CG1 3.3Å; E1040-I1044 WeakPolarHBondContact O-CG1 2.89Å; E1040-I1044 PolarHBondContact O-N 3.01Å; Q1041-I1044 PolarHBondContact O-N 3.08Å; E1042-I1044 PolarHBondContact O-N 3.48Å; I1044-T1048 WeakPolarHBondContact O-CB 3.24Å; I1044-T1048 PolarHBondContact O-N 3.4Å; I1044-T1048 PolarHBondContact O-OG1 2.69Å |
| 1045 | Q | 84.9 | Confident | 86.8 | Confident | 113 Ų | 113 | 114.1 Ų | 114.1 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67 | -37.6 | 175.6 | -72.8 | -176.9 | 38 | 0 | 0 | 112.5 | Q1041 E1042 T1048 R1049 | Q1041-Q1045 WeakPolarHBondContact O-CG 3.11Å; Q1041-Q1045 PolarHBondContact O-N 3.48Å; E1042-Q1045 PolarHBondContact O-N 2.83Å; Q1045-T1048 PolarHBondContact O-N 3.39Å; Q1045-R1049 WeakPolarHBondContact O-CB 3.39Å; Q1045-R1049 PolarHBondContact O-N 2.92Å |
| 1046 | A | 88.6 | Confident | 86.9 | Confident | 50 Ų | 50 | 112.7 Ų | 112.7 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1042 R1043 T1048 R1049 E1050 | E1042-A1046 VanDerWaalsContact O-CB 3.29Å; E1042-A1046 WeakPolarHBondContact O-CB 3.28Å; E1042-A1046 PolarHBondContact O-N 3.02Å; R1043-A1046 PolarHBondContact O-N 3.02Å; A1046-T1048 VanDerWaalsContact C-N 3.27Å; A1046-T1048 PolarHBondContact O-N 3.35Å; A1046-R1049 CarbonylContact O-C 3.55Å; A1046-R1049 WeakPolarHBondContact O-CA 3.47Å; A1046-R1049 WeakPolarHBondContact O-CB 3.5Å; A1046-R1049 PolarHBondContact O-N 3.16Å; A1046-E1050 PolarHBondContact O-N 3.39Å |
| 1047 | K | 87.4 | Confident | 87.2 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 174.8 | -170.9 | 172.2 | -176.5 | 176.7 | 0 | 112.6 | R1043 R1049 E1050 I1051 | R1043-K1047 WeakPolarHBondContact O-CB 3.4Å; R1043-K1047 PolarHBondContact O-N 2.88Å; K1047-R1049 VanDerWaalsContact C-N 3.34Å; K1047-E1050 PolarHBondContact O-N 2.89Å; K1047-I1051 HydrophobicContact CG-CD1 4.19Å; K1047-I1051 WeakPolarHBondContact O-CD1 3.4Å; K1047-I1051 VanDerWaalsContact O-CG1 3.26Å; K1047-I1051 WeakPolarHBondContact O-CG1 3.37Å; K1047-I1051 PolarHBondContact O-N 2.78Å |
| 1048 | T | 85.6 | Confident | 87.2 | Confident | 69 Ų | 69 | 111.2 Ų | 111.2 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -31.8 | 174.5 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | I1044 Q1045 A1046 R1052 | I1044-T1048 WeakPolarHBondContact O-CB 3.24Å; I1044-T1048 PolarHBondContact O-N 3.4Å; I1044-T1048 PolarHBondContact O-OG1 2.69Å; Q1045-T1048 PolarHBondContact O-N 3.39Å; A1046-T1048 VanDerWaalsContact C-N 3.27Å; A1046-T1048 PolarHBondContact O-N 3.35Å; T1048-R1052 PolarHBondContact O-N 2.71Å |
| 1049 | R | 88.9 | Confident | 86.8 | Confident | 171 Ų | 171 | 113.5 Ų | 113.5 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.7 | -45.4 | 172.5 | -169 | -173.2 | -56.9 | -170.5 | 3.8 | 111.2 | Q1045 A1046 K1047 I1051 R1052 E1053 | Q1045-R1049 WeakPolarHBondContact O-CB 3.39Å; Q1045-R1049 PolarHBondContact O-N 2.92Å; A1046-R1049 CarbonylContact O-C 3.55Å; A1046-R1049 WeakPolarHBondContact O-CA 3.47Å; A1046-R1049 WeakPolarHBondContact O-CB 3.5Å; A1046-R1049 PolarHBondContact O-N 3.16Å; K1047-R1049 VanDerWaalsContact C-N 3.34Å; R1049-I1051 PolarHBondContact O-N 2.99Å; R1049-R1052 PolarHBondContact O-N 3.48Å; R1049-R1052 VanDerWaalsContact O-N 3.16Å; R1049-E1053 WeakPolarHBondContact O-CB 3.21Å; R1049-E1053 PolarHBondContact O-N 3.49Å |
| 1050 | E | 91.2 | Very high | 86.4 | Confident | 109 Ų | 109 | 112.9 Ų | 112.9 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.1 | -47.9 | 175.4 | -172.3 | -158.4 | 150.9 | 0 | 0 | 111.4 | A1046 K1047 R1052 E1053 R1054 | A1046-E1050 PolarHBondContact O-N 3.39Å; K1047-E1050 PolarHBondContact O-N 2.89Å; E1050-R1052 VanDerWaalsContact C-N 3.33Å; E1050-R1052 PolarHBondContact O-N 2.95Å; E1050-E1053 PolarHBondContact O-N 3.34Å; E1050-R1054 VanDerWaalsContact O-CB 3.28Å; E1050-R1054 WeakPolarHBondContact O-CB 3.45Å; E1050-R1054 PolarHBondContact O-N 3.32Å |
| 1051 | I | 88.8 | Confident | 85.6 | Confident | 83 Ų | 83 | 117.3 Ų | 117.3 | 43% | 0.426 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 176.4 | -69.6 | 165.4 | 0 | 0 | 0 | 111.4 | K1047 R1049 R1054 Q1055 | K1047-I1051 HydrophobicContact CG-CD1 4.19Å; K1047-I1051 WeakPolarHBondContact O-CD1 3.4Å; K1047-I1051 VanDerWaalsContact O-CG1 3.26Å; K1047-I1051 WeakPolarHBondContact O-CG1 3.37Å; K1047-I1051 PolarHBondContact O-N 2.78Å; R1049-I1051 PolarHBondContact O-N 2.99Å; I1051-R1054 PolarHBondContact O-N 3.27Å; I1051-Q1055 WeakPolarHBondContact O-CG 3.4Å; I1051-Q1055 PolarHBondContact O-N 2.71Å |
| 1052 | R | 87.1 | Confident | 85.3 | Confident | 158 Ų | 158 | 114 Ų | 114 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.2 | -40.1 | 177.2 | -171.8 | -177.3 | -64.7 | 104 | -0.1 | 112.3 | T1048 R1049 E1050 Q1055 A1056 | T1048-R1052 PolarHBondContact O-N 2.71Å; R1049-R1052 PolarHBondContact O-N 3.48Å; R1049-R1052 VanDerWaalsContact O-N 3.16Å; E1050-R1052 VanDerWaalsContact C-N 3.33Å; E1050-R1052 PolarHBondContact O-N 2.95Å; R1052-Q1055 PolarHBondContact O-N 3.47Å; R1052-A1056 WeakPolarHBondContact O-CB 3.5Å; R1052-A1056 PolarHBondContact O-N 3.15Å |
| 1053 | E | 88.6 | Confident | 84.5 | Confident | 99 Ų | 99 | 114.9 Ų | 114.9 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 175.9 | -167.5 | -171.1 | 136 | 0 | 0 | 111.2 | R1049 E1050 A1056 K1057 | R1049-E1053 WeakPolarHBondContact O-CB 3.21Å; R1049-E1053 PolarHBondContact O-N 3.49Å; E1050-E1053 PolarHBondContact O-N 3.34Å; E1053-A1056 WeakPolarHBondContact O-CB 3.26Å; E1053-A1056 PolarHBondContact O-N 2.77Å; E1053-K1057 HydrophobicContact CG-CD 4.44Å; E1053-K1057 WeakPolarHBondContact O-CB 3.44Å; E1053-K1057 PolarHBondContact O-N 2.91Å; E1053-K1057 IonicContact OE1-NZ 3.19Å; E1053-K1057 PolarHBondContact OE1-NZ 3.08Å |
| 1054 | R | 89.8 | Confident | 83.6 | Confident | 176 Ų | 176 | 112.6 Ų | 112.6 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 174.3 | -166.7 | 176.4 | -166.1 | 139.6 | 1.9 | 111.3 | E1050 I1051 A1056 K1057 E1058 | E1050-R1054 VanDerWaalsContact O-CB 3.28Å; E1050-R1054 WeakPolarHBondContact O-CB 3.45Å; E1050-R1054 PolarHBondContact O-N 3.32Å; I1051-R1054 PolarHBondContact O-N 3.27Å; R1054-A1056 VanDerWaalsContact C-N 3.32Å; R1054-A1056 PolarHBondContact O-N 3.34Å; R1054-K1057 PolarHBondContact O-N 2.87Å; R1054-E1058 WeakPolarHBondContact O-CB 3.48Å; R1054-E1058 PolarHBondContact O-N 3.34Å |
| 1055 | Q | 84.2 | Confident | 82.3 | Confident | 101 Ų | 101 | 115 Ų | 115 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -30.3 | 173.8 | -74.6 | -177.4 | -17.9 | 0 | 0 | 113.3 | I1051 R1052 R1059 | I1051-Q1055 WeakPolarHBondContact O-CG 3.4Å; I1051-Q1055 PolarHBondContact O-N 2.71Å; R1052-Q1055 PolarHBondContact O-N 3.47Å; Q1055-R1059 WeakPolarHBondContact O-CG 3.29Å; Q1055-R1059 PolarHBondContact O-N 2.9Å; Q1055-R1059 VanDerWaalsContact O-N 3.13Å |
| 1056 | A | 84.3 | Confident | 81.3 | Confident | 54 Ų | 54 | 113.2 Ų | 113.2 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.4 | -48.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1052 E1053 R1054 E1058 R1059 E1060 | R1052-A1056 WeakPolarHBondContact O-CB 3.5Å; R1052-A1056 PolarHBondContact O-N 3.15Å; E1053-A1056 WeakPolarHBondContact O-CB 3.26Å; E1053-A1056 PolarHBondContact O-N 2.77Å; R1054-A1056 VanDerWaalsContact C-N 3.32Å; R1054-A1056 PolarHBondContact O-N 3.34Å; A1056-E1058 VanDerWaalsContact C-N 3.35Å; A1056-E1058 PolarHBondContact O-N 3.26Å; A1056-R1059 PolarHBondContact O-N 2.83Å; A1056-E1060 WeakPolarHBondContact O-CB 3.36Å; A1056-E1060 PolarHBondContact O-N 2.68Å |
| 1057 | K | 86.1 | Confident | 80 | Confident | 99 Ų | 99 | 114.4 Ų | 114.4 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 174.5 | -79.5 | 171 | 172.1 | 164.8 | 0 | 112.6 | E1053 R1054 R1059 E1060 Y1061 | E1053-K1057 HydrophobicContact CG-CD 4.44Å; E1053-K1057 WeakPolarHBondContact O-CB 3.44Å; E1053-K1057 PolarHBondContact O-N 2.91Å; E1053-K1057 IonicContact OE1-NZ 3.19Å; E1053-K1057 PolarHBondContact OE1-NZ 3.08Å; R1054-K1057 PolarHBondContact O-N 2.87Å; K1057-R1059 VanDerWaalsContact C-N 3.32Å; K1057-R1059 PolarHBondContact O-N 3.36Å; K1057-E1060 WeakPolarHBondContact O-CB 3.45Å; K1057-E1060 PolarHBondContact O-N 3.49Å; K1057-Y1061 WeakPolarHBondContact O-CB 3.37Å; K1057-Y1061 VanDerWaalsContact O-CD2 3.27Å; K1057-Y1061 WeakPolarHBondContact O-CD2 3.3Å; K1057-Y1061 PolarHBondContact O-N 3.2Å |
| 1058 | E | 81.1 | Confident | 78.8 | Confident | 131 Ų | 131 | 112.2 Ų | 112.2 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 175.6 | -174.1 | 169.8 | -152.2 | 0 | 0 | 111.7 | R1054 A1056 A1062 | R1054-E1058 WeakPolarHBondContact O-CB 3.48Å; R1054-E1058 PolarHBondContact O-N 3.34Å; A1056-E1058 VanDerWaalsContact C-N 3.35Å; A1056-E1058 PolarHBondContact O-N 3.26Å; E1058-A1062 WeakPolarHBondContact O-CB 3.36Å; E1058-A1062 PolarHBondContact O-N 3.44Å; E1058-A1062 VanDerWaalsContact O-N 3.1Å |
| 1059 | R | 79.9 | Confident | 77.5 | Confident | 185 Ų | 185 | 112.4 Ų | 112.4 | 70% | 0.698 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.3 | -40.4 | 169.2 | -73.4 | 179.2 | -174.9 | 151.9 | 3.8 | 113 | Q1055 A1056 K1057 Y1061 A1062 E1063 | Q1055-R1059 WeakPolarHBondContact O-CG 3.29Å; Q1055-R1059 PolarHBondContact O-N 2.9Å; Q1055-R1059 VanDerWaalsContact O-N 3.13Å; A1056-R1059 PolarHBondContact O-N 2.83Å; K1057-R1059 VanDerWaalsContact C-N 3.32Å; K1057-R1059 PolarHBondContact O-N 3.36Å; R1059-Y1061 VanDerWaalsContact C-N 3.34Å; R1059-Y1061 PolarHBondContact O-N 2.85Å; R1059-A1062 CarbonylContact O-C 3.57Å; R1059-A1062 PolarHBondContact O-N 3.28Å; R1059-A1062 VanDerWaalsContact O-N 3.17Å; R1059-E1063 VanDerWaalsContact O-CB 3.31Å; R1059-E1063 WeakPolarHBondContact O-CB 3.35Å; R1059-E1063 PolarHBondContact O-N 3.31Å |
| 1060 | E | 79.4 | Confident | 75.5 | Confident | 106 Ų | 106 | 112.6 Ų | 112.6 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.1 | -172.8 | 179.7 | -168.1 | 0 | 0 | 110.9 | A1056 K1057 E1063 I1064 | A1056-E1060 WeakPolarHBondContact O-CB 3.36Å; A1056-E1060 PolarHBondContact O-N 2.68Å; K1057-E1060 WeakPolarHBondContact O-CB 3.45Å; K1057-E1060 PolarHBondContact O-N 3.49Å; E1060-E1063 PolarHBondContact O-N 2.89Å; E1060-I1064 HydrophobicContact CG-CD1 4.08Å; E1060-I1064 WeakPolarHBondContact O-CB 3.47Å; E1060-I1064 WeakPolarHBondContact O-CD1 3.49Å; E1060-I1064 WeakPolarHBondContact O-CG1 3.48Å; E1060-I1064 PolarHBondContact O-N 2.87Å |
| 1061 | Y | 68.9 | Low | 73.4 | Confident | 174 Ų | 174 | 111.9 Ų | 111.9 | 68% | 0.682 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 171.8 | -91.1 | -76.6 | 0 | 0 | 0 | 112.4 | K1057 R1059 Q1065 | K1057-Y1061 WeakPolarHBondContact O-CB 3.37Å; K1057-Y1061 VanDerWaalsContact O-CD2 3.27Å; K1057-Y1061 WeakPolarHBondContact O-CD2 3.3Å; K1057-Y1061 PolarHBondContact O-N 3.2Å; R1059-Y1061 VanDerWaalsContact C-N 3.34Å; R1059-Y1061 PolarHBondContact O-N 2.85Å; Y1061-Q1065 VanDerWaalsContact O-CB 3.27Å; Y1061-Q1065 WeakPolarHBondContact O-CB 3.36Å; Y1061-Q1065 PolarHBondContact O-N 2.89Å |
| 1062 | A | 74.9 | Confident | 71.1 | Confident | 54 Ų | 54 | 116.4 Ų | 116.4 | 45% | 0.446 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.5 | -37.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1058 R1059 Q1065 D1066 | E1058-A1062 WeakPolarHBondContact O-CB 3.36Å; E1058-A1062 PolarHBondContact O-N 3.44Å; E1058-A1062 VanDerWaalsContact O-N 3.1Å; R1059-A1062 CarbonylContact O-C 3.57Å; R1059-A1062 PolarHBondContact O-N 3.28Å; R1059-A1062 VanDerWaalsContact O-N 3.17Å; A1062-Q1065 PolarHBondContact O-N 2.91Å; A1062-D1066 WeakPolarHBondContact O-CB 3.37Å; A1062-D1066 PolarHBondContact O-N 3.12Å |
| 1063 | E | 73.8 | Confident | 68.8 | Low | 137 Ų | 137 | 113.5 Ų | 113.5 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.8 | -41.5 | 176.4 | -174.3 | 170.3 | -175 | 0 | 0 | 111.1 | R1059 E1060 Q1065 D1066 V1067 | R1059-E1063 VanDerWaalsContact O-CB 3.31Å; R1059-E1063 WeakPolarHBondContact O-CB 3.35Å; R1059-E1063 PolarHBondContact O-N 3.31Å; E1060-E1063 PolarHBondContact O-N 2.89Å; E1063-Q1065 VanDerWaalsContact C-N 3.32Å; E1063-Q1065 PolarHBondContact O-N 3.16Å; E1063-D1066 PolarHBondContact O-N 3.34Å; E1063-V1067 WeakPolarHBondContact O-CB 3.31Å; E1063-V1067 VanDerWaalsContact O-CG2 3.24Å; E1063-V1067 WeakPolarHBondContact O-CG2 3.4Å; E1063-V1067 PolarHBondContact O-N 3.49Å |
| 1064 | I | 71.8 | Confident | 66.3 | Low | 91 Ų | 91 | 113.7 Ų | 113.7 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60 | -43.1 | 169.5 | -71.1 | 163.6 | 0 | 0 | 0 | 110.4 | E1060 V1067 V1068 | E1060-I1064 HydrophobicContact CG-CD1 4.08Å; E1060-I1064 WeakPolarHBondContact O-CB 3.47Å; E1060-I1064 WeakPolarHBondContact O-CD1 3.49Å; E1060-I1064 WeakPolarHBondContact O-CG1 3.48Å; E1060-I1064 PolarHBondContact O-N 2.87Å; I1064-V1067 PolarHBondContact O-N 3.45Å; I1064-V1068 HydrophobicContact CG2-CG2 4.4Å; I1064-V1068 WeakPolarHBondContact O-CB 3.27Å; I1064-V1068 VanDerWaalsContact O-CG2 3.24Å; I1064-V1068 WeakPolarHBondContact O-CG2 3.38Å; I1064-V1068 PolarHBondContact O-N 3.01Å |
| 1065 | Q | 63.2 | Low | 63.4 | Low | 137 Ų | 137 | 113.1 Ų | 113.1 | 64% | 0.64 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66 | -40.3 | 179.5 | -167.6 | 167.9 | 15.1 | 0 | 0 | 111.8 | Y1061 A1062 E1063 V1068 S1069 | Y1061-Q1065 VanDerWaalsContact O-CB 3.27Å; Y1061-Q1065 WeakPolarHBondContact O-CB 3.36Å; Y1061-Q1065 PolarHBondContact O-N 2.89Å; A1062-Q1065 PolarHBondContact O-N 2.91Å; E1063-Q1065 VanDerWaalsContact C-N 3.32Å; E1063-Q1065 PolarHBondContact O-N 3.16Å; Q1065-V1068 PolarHBondContact O-N 3.28Å; Q1065-S1069 WeakPolarHBondContact O-CB 3.4Å; Q1065-S1069 PolarHBondContact O-N 2.92Å; Q1065-S1069 PolarHBondContact O-OG 3.12Å; Q1065-S1069 VanDerWaalsContact O-OG 3.06Å |
| 1066 | D | 62.9 | Low | 60.8 | Low | 76 Ų | 76 | 117.4 Ų | 117.4 | 41% | 0.406 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.5 | -36 | 175.9 | -165.1 | 65.7 | 0 | 0 | 0 | 112.4 | A1062 E1063 S1069 R1070 | A1062-D1066 WeakPolarHBondContact O-CB 3.37Å; A1062-D1066 PolarHBondContact O-N 3.12Å; E1063-D1066 PolarHBondContact O-N 3.34Å; D1066-S1069 PolarHBondContact O-N 3.42Å; D1066-R1070 VanDerWaalsContact O-CG 3.23Å; D1066-R1070 WeakPolarHBondContact O-CG 3.43Å; D1066-R1070 PolarHBondContact O-N 2.87Å; D1066-R1070 IonicContact OD2-CZ 2.61Å; D1066-R1070 IonicContact OD2-NE 3.34Å; D1066-R1070 PolarHBondContact OD2-NE 3.41Å; D1066-R1070 IonicContact OD2-NH2 3.48Å; D1066-R1070 PolarHBondContact OD2-NH2 3.09Å |
| 1067 | V | 62.6 | Low | 58.6 | Low | 75 Ų | 75 | 123 Ų | 123 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.5 | -44.4 | 171.2 | 167.2 | 0 | 0 | 0 | 0 | 111 | E1063 I1064 S1069 R1070 T1071 | E1063-V1067 WeakPolarHBondContact O-CB 3.31Å; E1063-V1067 VanDerWaalsContact O-CG2 3.24Å; E1063-V1067 WeakPolarHBondContact O-CG2 3.4Å; E1063-V1067 PolarHBondContact O-N 3.49Å; I1064-V1067 PolarHBondContact O-N 3.45Å; V1067-S1069 VanDerWaalsContact C-N 3.34Å; V1067-R1070 PolarHBondContact O-N 3.44Å; V1067-R1070 VanDerWaalsContact O-N 3.12Å; V1067-T1071 HydrophobicContact CG1-CG2 4.39Å; V1067-T1071 WeakPolarHBondContact O-CG2 3.26Å; V1067-T1071 PolarHBondContact O-N 3.21Å; V1067-T1071 PolarHBondContact O-OG1 2.9Å |
| 1068 | V | 62.8 | Low | 56.3 | Low | 71 Ų | 71 | 124.3 Ų | 124.3 | 43% | 0.43 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.9 | -40.6 | 174.5 | 167.9 | 0 | 0 | 0 | 0 | 111 | I1064 Q1065 R1070 T1071 F1072 | I1064-V1068 HydrophobicContact CG2-CG2 4.4Å; I1064-V1068 WeakPolarHBondContact O-CB 3.27Å; I1064-V1068 VanDerWaalsContact O-CG2 3.24Å; I1064-V1068 WeakPolarHBondContact O-CG2 3.38Å; I1064-V1068 PolarHBondContact O-N 3.01Å; Q1065-V1068 PolarHBondContact O-N 3.28Å; V1068-R1070 VanDerWaalsContact C-N 3.26Å; V1068-R1070 PolarHBondContact O-N 3.47Å; V1068-T1071 PolarHBondContact O-N 2.86Å; V1068-T1071 PolarHBondContact O-OG1 2.82Å; V1068-F1072 HydrophobicContact CG1-CD2 3.91Å; V1068-F1072 HydrophobicContact CG1-CE2 4.2Å; V1068-F1072 WeakPolarHBondContact O-CD2 3.32Å; V1068-F1072 PolarHBondContact O-N 3.11Å; V1068-F1072 VanDerWaalsContact O-N 3.16Å |
| 1069 | S | 56.8 | Low | 54 | Low | 74 Ų | 74 | 124.8 Ų | 124.8 | 52% | 0.517 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -62.5 | -31.4 | 172.9 | -67.5 | 0 | 0 | 0 | 0 | 113 | Q1065 D1066 V1067 S1073 | Q1065-S1069 WeakPolarHBondContact O-CB 3.4Å; Q1065-S1069 PolarHBondContact O-N 2.92Å; Q1065-S1069 PolarHBondContact O-OG 3.12Å; Q1065-S1069 VanDerWaalsContact O-OG 3.06Å; D1066-S1069 PolarHBondContact O-N 3.42Å; V1067-S1069 VanDerWaalsContact C-N 3.34Å; S1069-S1073 WeakPolarHBondContact O-CB 3.41Å |
| 1070 | R | 47.1 | Very low | 51.5 | Low | 174 Ų | 174 | 125.9 Ų | 125.9 | 66% | 0.657 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -79.6 | -36.4 | 175.2 | -68.3 | 166.6 | -165.3 | -122.8 | 7.5 | 113.2 | D1066 V1067 V1068 | D1066-R1070 VanDerWaalsContact O-CG 3.23Å; D1066-R1070 WeakPolarHBondContact O-CG 3.43Å; D1066-R1070 PolarHBondContact O-N 2.87Å; D1066-R1070 IonicContact OD2-CZ 2.61Å; D1066-R1070 IonicContact OD2-NE 3.34Å; D1066-R1070 PolarHBondContact OD2-NE 3.41Å; D1066-R1070 IonicContact OD2-NH2 3.48Å; D1066-R1070 PolarHBondContact OD2-NH2 3.09Å; V1067-R1070 PolarHBondContact O-N 3.44Å; V1067-R1070 VanDerWaalsContact O-N 3.12Å; V1068-R1070 VanDerWaalsContact C-N 3.26Å; V1068-R1070 PolarHBondContact O-N 3.47Å |
| 1071 | T | 47.8 | Very low | 49.2 | Very low | 95 Ų | 95 | 124.2 Ų | 124.2 | 58% | 0.583 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.1 | -21.2 | -179 | 55 | 0 | 0 | 0 | 0 | 114 | V1067 V1068 | V1067-T1071 HydrophobicContact CG1-CG2 4.39Å; V1067-T1071 WeakPolarHBondContact O-CG2 3.26Å; V1067-T1071 PolarHBondContact O-N 3.21Å; V1067-T1071 PolarHBondContact O-OG1 2.9Å; V1068-T1071 PolarHBondContact O-N 2.86Å; V1068-T1071 PolarHBondContact O-OG1 2.82Å |
| 1072 | F | 41.2 | Very low | 47.2 | Very low | 177 Ų | 177 | 119.4 Ų | 119.4 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 12.1 | 173.5 | -73.6 | -76.7 | 0 | 0 | 0 | 114.4 | V1068 | V1068-F1072 HydrophobicContact CG1-CD2 3.91Å; V1068-F1072 HydrophobicContact CG1-CE2 4.2Å; V1068-F1072 WeakPolarHBondContact O-CD2 3.32Å; V1068-F1072 PolarHBondContact O-N 3.11Å; V1068-F1072 VanDerWaalsContact O-N 3.16Å |
| 1073 | S | 37.8 | Very low | 45 | Very low | 97 Ų | 97 | 125.3 Ų | 125.3 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -123.1 | 41.4 | -177.9 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | S1069 | S1069-S1073 WeakPolarHBondContact O-CB 3.41Š|
| 1074 | S | 35.5 | Very low | 42.8 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | trans | -153.6 | 56.7 | -175.6 | -176 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1075 | D | 30.3 | Very low | 40.8 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | trans | -161.2 | 174 | 136.6 | -138 | -31.9 | 0 | 0 | 0 | 112 | ||||
| 1076 | E | 29.4 | Very low | 39.2 | Very low | 191 Ų | 191 | 125.4 Ų | 125.4 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | trans | 76.5 | 69.2 | 178.9 | -59.1 | -152.5 | 112.5 | 0 | 0 | 117.8 | ||||
| 1077 | E | 37.6 | Very low | 37.5 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 81% | 0.808 | 73% | 0.727 | S | S | * | * | trans | -111.9 | 147.9 | 159.5 | -88.2 | -131.4 | 112.6 | 0 | 0 | 110.6 | ||||
| 1078 | H | 38.5 | Very low | 35.8 | Very low | 125 Ų | 125 | 128 Ų | 128 | 58% | 0.579 | 75% | 0.746 | S | S | * | * | cis | -161.2 | 148.7 | -7.1 | -168.1 | 111 | 0 | 0 | 0 | 109.1 | ||||
| 1079 | T | 31.2 | Very low | 34.2 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -154.2 | 121.4 | 154.7 | -1.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1080 | Y | 28.4 | Very low | 32.9 | Very low | 208 Ų | 208 | 133.1 Ų | 133.1 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | S | Bend | cis | -137.3 | 143.6 | 27.4 | -179.4 | -93.7 | 0 | 0 | 0 | 111.8 | ||
| 1081 | A | 31.2 | Very low | 32 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 60% | 0.595 | 77% | 0.771 | S | S | * | * | trans | -66.1 | 149.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1082 | G | 26 | Very low | 31.1 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | 96.8 | 162.5 | 89.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1083 | I | 29.1 | Very low | 30.5 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | cis | -149.4 | 152.3 | 3.4 | -60.2 | 166.8 | 0 | 0 | 0 | 103.7 | ||||
| 1084 | G | 27.9 | Very low | 30 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | 175.1 | -162.7 | 4.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1085 | S | 30 | Very low | 29.7 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -121 | 178.6 | -178.7 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1086 | L | 29.1 | Very low | 29.6 | Very low | 176 Ų | 176 | 129.7 Ų | 129.7 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | 86.6 | 130.3 | 179 | -50.3 | 175.1 | 0 | 0 | 0 | 117 | ||||
| 1087 | G | 27.8 | Very low | 30.4 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | 153.4 | 125.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1088 | S | 27.2 | Very low | 30 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -139.4 | 152.5 | -175.6 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1089 | S | 28.1 | Very low | 29.5 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | 91.2 | 130 | 158.2 | -153.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1090 | Q | 29.7 | Very low | 29.4 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 73.1 | 107.7 | 147.4 | -78.3 | 176.8 | -49.1 | 0 | 0 | 123.7 | ||||
| 1091 | D | 28 | Very low | 29.4 | Very low | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | 69.4 | 129.8 | 118.8 | -62.2 | -19 | 0 | 0 | 0 | 124.3 | |||||
| 1092 | S | 29.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | 76.9 | 147.2 | 151.7 | 77.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1093 | G | 27.6 | Very low | 29.4 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 143.7 | 29.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1094 | S | 27.7 | Very low | 29.3 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 10.3 | 129.2 | 150.4 | 179.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1095 | I | 29.8 | Very low | 30.1 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 86.1 | 142.2 | 149.1 | -74 | 168.1 | 0 | 0 | 0 | 120.7 | ||||
| 1096 | D | 27.3 | Very low | 30 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -80.4 | -169.4 | 179.7 | -49 | -86.2 | 0 | 0 | 0 | 114.9 | ||||
| 1097 | P | 47.1 | Very low | 30 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | -132.1 | -161.5 | -67.2 | 38.5 | -20.3 | 0 | 0 | 0 | 113 | |||||
| 1098 | Y | 29.2 | Very low | 31 | Very low | 228 Ų | 228 | 135.1 Ų | 135.1 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | 80 | 140.3 | 173.8 | -60.2 | -77.9 | 0 | 0 | 0 | 118.7 | ||||
| 1099 | G | 27.6 | Very low | 31 | Very low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 156.5 | 130.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1100 | H | 29 | Very low | 30.9 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -120.4 | 153.8 | -175 | -88.2 | -107.7 | 0 | 0 | 0 | 113.8 | ||||
| 1101 | H | 28.4 | Very low | 31.8 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 61% | 0.611 | 76% | 0.761 | S | S | * | * | trans | 88.5 | 129.3 | 133.9 | -90.4 | -46.4 | 0 | 0 | 0 | 124.9 | ||||
| 1102 | Y | 28.7 | Very low | 31.7 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | 106.7 | 119.4 | 129.4 | -71.8 | -41.8 | 0 | 0 | 0 | 123.5 | |||||
| 1103 | H | 28.6 | Very low | 31.6 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 80.3 | 128.4 | 134 | -98.9 | -77.6 | 0 | 0 | 0 | 125.3 | ||||
| 1104 | L | 28.3 | Very low | 32.1 | Very low | 149 Ų | 149 | 142 Ų | 142 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | -82.8 | 154.4 | 156.9 | -150.3 | 84.6 | 0 | 0 | 0 | 109.9 | ||||
| 1105 | P | 43.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | -158.2 | 162.1 | 93.8 | 40.4 | -20.9 | 0 | 0 | 0 | 119.5 | |||||
| 1106 | Q | 27.1 | Very low | 32.2 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | 67.8 | 144.4 | 146.3 | -72.7 | 172.5 | 22 | 0 | 0 | 123 | ||||
| 1107 | S | 29.2 | Very low | 32.8 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -169 | 132.7 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1108 | P | 49.1 | Very low | 31.9 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -138.2 | 175.5 | 170.4 | 39.5 | -23.4 | 0 | 0 | 0 | 116.2 | ||||
| 1109 | Q | 27.5 | Very low | 31.8 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | 81.2 | 140.8 | 167 | -56 | -170.4 | 27.7 | 0 | 0 | 118.1 | ||||
| 1110 | S | 27 | Very low | 31.8 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -151 | -132.3 | -10.8 | 46.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1111 | P | 46.8 | Very low | 32 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | -138.7 | 165.7 | -126 | 42.1 | -21.1 | 0 | 0 | 0 | 119.6 | |||||
| 1112 | R | 27.8 | Very low | 32.5 | Very low | 249 Ų | 249 | 142.8 Ų | 142.8 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | trans | 146.9 | 156.8 | 137.7 | -81 | -177.3 | 177.4 | -160.1 | -1.5 | 114.7 | ||||
| 1113 | S | 26.2 | Very low | 33.4 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -146.3 | 168.4 | -178.2 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1114 | P | 37.6 | Very low | 33.5 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | -139.5 | 162.5 | 101.3 | 37.2 | -23.6 | 0 | 0 | 0 | 112.7 | |||||
| 1115 | V | 29.2 | Very low | 33.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | 100.5 | 89.5 | 18.9 | -177.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1116 | N | 31.5 | Very low | 33.4 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 66 | 154.9 | 143.2 | -120.4 | -11.3 | 0 | 0 | 0 | 120 | ||||
| 1117 | P | 38.6 | Very low | 34.2 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | -137.1 | 177.9 | 62.1 | 41.2 | -25.3 | 0 | 0 | 0 | 116.9 | |||||
| 1118 | Q | 28.3 | Very low | 34.2 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -88.5 | 165.1 | 176.3 | -79.2 | -165.9 | -16.1 | 0 | 0 | 115.1 | ||||
| 1119 | R | 26.9 | Very low | 33.4 | Very low | 217 Ų | 217 | 139.9 Ų | 139.9 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | 106.9 | 138.8 | 136.7 | -122 | -170.9 | -178.8 | -169.6 | -1.6 | 119 | ||||
| 1120 | N | 29.3 | Very low | 33.4 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 83.7 | 94.2 | 159.2 | -55.3 | -16.2 | 0 | 0 | 0 | 120.6 | ||||
| 1121 | G | 32 | Very low | 33.5 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 57.4 | 116.8 | 136.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1122 | P | 39.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | -143.6 | -178.1 | 124.7 | 35 | -17.2 | 0 | 0 | 0 | 114 | |||||
| 1123 | P | 46.1 | Very low | 32.4 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | trans | -120.7 | -179.4 | -167.8 | 43.7 | -33.7 | 0 | 0 | 0 | 117.1 | ||||
| 1124 | L | 31.7 | Very low | 32.3 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | 85.2 | 154.1 | 150.5 | -87.5 | 162.4 | 0 | 0 | 0 | 121.9 | ||||
| 1125 | E | 34 | Very low | 32 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 61.4 | 113 | 174.1 | -66.2 | 177.5 | 146.3 | 0 | 0 | 117 | ||||
| 1126 | A | 35.6 | Very low | 32 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 65% | 0.653 | 76% | 0.759 | S | S | * | * | 87.4 | 124.3 | 58.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1127 | L | 43.8 | Very low | 31.9 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | cis | -132.1 | 149.3 | -3.3 | -51.7 | 85.2 | 0 | 0 | 0 | 107.5 | ||||
| 1128 | Y | 28.8 | Very low | 32.3 | Very low | 201 Ų | 201 | 141.3 Ų | 141.3 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | cis | 57.6 | 135.2 | 48.2 | -77.5 | -82.7 | 0 | 0 | 0 | 114 | ||||
| 1129 | A | 33.4 | Very low | 33.3 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -140.8 | 166.5 | 4.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1130 | Q | 27.7 | Very low | 33.5 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | cis | 62.7 | 150.4 | 42.5 | -117.2 | -177.8 | -1.7 | 0 | 0 | 111.7 | ||||
| 1131 | V | 28.2 | Very low | 33.7 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | cis | -140.4 | 143.9 | 13.5 | 175.8 | 0 | 0 | 0 | 0 | 106.7 | K1133 | V1131-K1133 WeakPolarHBondContact CG1-O 3.48Š| ||
| 1132 | N | 23.5 | Very low | 34.9 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | cis | 82.7 | 58.3 | 24.9 | -158.2 | 4.1 | 0 | 0 | 0 | 117.6 | ||||
| 1133 | K | 28.6 | Very low | 35 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | trans | 67.3 | 174.2 | 172.8 | -46.1 | 171 | -174.2 | 177.5 | 0 | 112.8 | V1131 | V1131-K1133 WeakPolarHBondContact CG1-O 3.48Š| ||
| 1134 | H | 24.8 | Very low | 34.8 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | cis | -147.4 | 151.8 | 9.9 | -71.4 | 92.2 | 0 | 0 | 0 | 111.8 | ||||
| 1135 | R | 30.3 | Very low | 34.9 | Very low | 223 Ų | 223 | 138.9 Ų | 138.9 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | trans | 34.9 | 147.2 | 133.1 | -139.5 | -173.1 | -170.3 | 173.6 | 2.2 | 122.9 | ||||
| 1136 | N | 29 | Very low | 35 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | 86.8 | 146.7 | 169.7 | -44 | -29.5 | 0 | 0 | 0 | 114.5 | ||||
| 1137 | G | 29.8 | Very low | 34.9 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | cis | -168.4 | 178.3 | -0.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1138 | P | 46.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -84.4 | 179.2 | -169.7 | 38.5 | -40.3 | 0 | 0 | 0 | 114.2 | ||||
| 1139 | P | 48.9 | Very low | 34.8 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | cis | -151.9 | 179.2 | 26.1 | 46.3 | -25.5 | 0 | 0 | 0 | 121.4 | ||||
| 1140 | A | 31.8 | Very low | 34.8 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 66.3 | 113.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1141 | A | 33.6 | Very low | 35.3 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | 39.9 | 167.3 | 107.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1142 | P | 57.1 | Low | 35.9 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | cis | -112 | -148 | -4.3 | 35.5 | -15.3 | 0 | 0 | 0 | 110.3 | ||||
| 1143 | D | 41.4 | Very low | 36.9 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | cis | -159.6 | 161 | 6.7 | -141.2 | 27.2 | 0 | 0 | 0 | 105.7 | ||||
| 1144 | R | 40.9 | Very low | 37.7 | Very low | 266 Ų | 266 | 140.2 Ų | 140.2 | 100% | 1.004 | 79% | 0.787 | S | S | * | * | cis | -159.3 | 0 | 6.6 | -158.2 | 173.7 | -161.3 | -178.1 | 2.7 | 111.9 |
Retrieved 1,144 of 1,144 residues in 529.1 ms
(Link to these results)