| 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 | 37.5 | Very low | 56.6 | Low | 205 Ų | 205 | 120.8 Ų | 120.8 | 100% | 1.01 | 61% | 0.607 | S | S | * | * | 0 | 84.5 | 0 | -76.1 | 157.7 | 154.8 | 0 | 0 | 109 | R3 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.06Å | |||
| 2 | S | 43.1 | Very low | 59.5 | Low | 128 Ų | 128 | 110.8 Ų | 110.8 | 90% | 0.895 | 56% | 0.557 | S | S | * | * | trans | -92.7 | 69.7 | 177.8 | -53.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | R | 43.2 | Very low | 61.9 | Low | 215 Ų | 215 | 104.8 Ų | 104.8 | 81% | 0.811 | 53% | 0.525 | S | S | * | . | trans | -89.2 | 17.8 | 171.6 | -69.9 | -162.7 | -73.2 | -167.6 | -3.1 | 112.3 | M1 | M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.06Å | ||
| 4 | Y | 37.7 | Very low | 64 | Low | 191 Ų | 191 | 97.4 Ų | 97.4 | 75% | 0.749 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -111 | 114.4 | -168 | -63.6 | -68.6 | 0 | 0 | 0 | 111.1 | ||
| 5 | L | 47.8 | Very low | 65.8 | Low | 158 Ų | 158 | 98.4 Ų | 98.4 | 83% | 0.827 | 48% | 0.484 | S | S | * | . | trans | 62.7 | 82.9 | 164 | -56 | 118.8 | 0 | 0 | 0 | 115.8 | ||||
| 6 | R | 50.5 | Low | 67.3 | Low | 134 Ų | 134 | 96.8 Ų | 96.8 | 51% | 0.506 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 128.9 | 148.3 | -168.3 | 177.3 | -161.3 | 168.9 | 3.7 | 106.4 | Q87 G88 D89 | R6-Q87 PolarHBondContact NH1-O 3.35Å; R6-Q87 PolarHBondContact NH2-O 2.99Å; R6-G88 VanDerWaalsContact NH2-C 3.3Å; R6-D89 IonicContact CZ-OD1 3.83Å; R6-D89 IonicContact NE-OD1 3.89Å; R6-D89 IonicContact NH2-OD1 2.9Å; R6-D89 PolarHBondContact NH2-OD1 2.8Å |
| 7 | P | 58.4 | Low | 68.5 | Low | 100 Ų | 100 | 91.3 Ų | 91.3 | 65% | 0.649 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -48.8 | 138 | 174 | -25.4 | 32.7 | 0 | 0 | 0 | 108.9 | N9 | P7-N9 PolarHBondContact O-N 2.81Å; P7-N9 VanDerWaalsContact O-N 3.12Å |
| 8 | P | 61.9 | Low | 69.5 | Low | 87 Ų | 87 | 86.4 Ų | 86.4 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 127.9 | 175.1 | 25.7 | -35.9 | 0 | 0 | 0 | 107.8 | T10 V61 | P8-T10 PolarHBondContact O-N 2.85Å; P8-V61 HydrophobicContact CB-CB 4.24Å; P8-V61 HydrophobicContact CB-CG1 3.81Å; P8-V61 HydrophobicContact CB-CG2 3.45Å; P8-V61 VanDerWaalsContact CB-CG2 3.45Å; P8-V61 HydrophobicContact CG-CG2 3.41Å; P8-V61 VanDerWaalsContact CG-CG2 3.41Å |
| 9 | N | 68.6 | Low | 70.2 | Confident | 53 Ų | 53 | 85.5 Ų | 85.5 | 28% | 0.283 | 42% | 0.424 | S | S | . | . | trans | -75.1 | 96.2 | -165.8 | 44.3 | -19.9 | 0 | 0 | 0 | 109.7 | P7 S11 F85 | P7-N9 PolarHBondContact O-N 2.81Å; P7-N9 VanDerWaalsContact O-N 3.12Å; N9-S11 PolarHBondContact O-N 2.9Å; N9-S11 VanDerWaalsContact O-N 3.15Å; N9-F85 HydrophobicContact CB-CD1 4.43Å; N9-F85 VanDerWaalsContact CG-CD1 3.44Å; N9-F85 WeakPolarHBondContact ND2-CB 3.34Å; N9-F85 WeakPolarHBondContact ND2-CD1 3.41Å; N9-F85 VanDerWaalsContact ND2-CG 3.34Å; N9-F85 WeakPolarHBondContact ND2-CG 3.45Å | ||
| 10 | T | 85.1 | Confident | 70.9 | Confident | 27 Ų | 27 | 88.1 Ų | 88.1 | 17% | 0.166 | 44% | 0.439 | C | S | . | . | trans | -70.7 | -1.1 | 170.5 | 67 | 0 | 0 | 0 | 0 | 113.1 | P8 F58 V61 | P8-T10 PolarHBondContact O-N 2.85Å; T10-F58 WeakPolarHBondContact CB-O 3.38Å; T10-F58 PolarHBondContact O-N 3.19Å; T10-F58 PolarHBondContact OG1-O 3.45Å; T10-F58 VanDerWaalsContact OG1-O 3.1Å; T10-V61 HydrophobicContact CG2-CB 4.43Å; T10-V61 HydrophobicContact CG2-CG2 3.59Å | ||
| 11 | S | 88.9 | Confident | 71.4 | Confident | 31 Ų | 31 | 84.2 Ų | 84.2 | 22% | 0.217 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.5 | -179.3 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | N9 V56 A86 | N9-S11 PolarHBondContact O-N 2.9Å; N9-S11 VanDerWaalsContact O-N 3.15Å; S11-V56 CarbonylContact C-O 3.58Å; S11-V56 WeakPolarHBondContact CA-O 3.25Å; S11-A86 WeakPolarHBondContact O-CB 3.36Å; S11-A86 PolarHBondContact O-N 3.2Å |
| 12 | L | 90.7 | Very high | 73.7 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 139.5 | 172.2 | -60.3 | -174.9 | 0 | 0 | 0 | 110.5 | F30 Y55 V56 F58 A64 A67 L68 I83 F85 | L12-F30 HydrophobicContact CD1-CD1 4.42Å; L12-F30 HydrophobicContact CD1-CE1 4.13Å; L12-Y55 VanDerWaalsContact O-CA 3.28Å; L12-Y55 WeakPolarHBondContact O-CA 3.42Å; L12-V56 PolarHBondContact N-O 2.9Å; L12-V56 PolarHBondContact O-N 3.17Å; L12-F58 HydrophobicContact CD1-CD2 4.14Å; L12-F58 HydrophobicContact CD1-CE2 3.58Å; L12-F58 HydrophobicContact CG-CD2 4.28Å; L12-F58 HydrophobicContact CG-CE2 4.16Å; L12-A64 HydrophobicContact CD1-CB 4.39Å; L12-A64 WeakPolarHBondContact CD1-O 3.28Å; L12-A64 HydrophobicContact CD2-CB 4.06Å; L12-A64 HydrophobicContact CG-CB 4.12Å; L12-A67 HydrophobicContact CD1-CB 3.93Å; L12-L68 HydrophobicContact CD2-CB 4.36Å; L12-I83 HydrophobicContact CB-CG2 3.98Å; L12-I83 HydrophobicContact CD1-CG2 3.89Å; L12-I83 HydrophobicContact CD2-CG2 4.32Å; L12-I83 HydrophobicContact CG-CG2 4.29Å; L12-F85 HydrophobicContact CD2-CD1 3.96Å; L12-F85 HydrophobicContact CD2-CE1 3.99Å |
| 13 | F | 91.3 | Very high | 75.9 | Confident | 34 Ų | 34 | 78.8 Ų | 78.8 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 115.7 | 170.6 | 174.2 | -114.8 | 0 | 0 | 0 | 108.9 | R15 F53 Y55 Q84 A86 | F13-R15 HydrophobicContact CE1-CB 4.09Å; F13-R15 HydrophobicContact CZ-CB 4.45Å; F13-F53 HydrophobicContact CE2-CB 3.68Å; F13-F53 AromaticContact CE2-CD2 3.66Å; F13-F53 HydrophobicContact CE2-CD2 3.66Å; F13-F53 HydrophobicContact CE2-CE2 4.47Å; F13-F53 AromaticContact CE2-CG 3.85Å; F13-F53 HydrophobicContact CE2-CG 3.85Å; F13-F53 HydrophobicContact CZ-CB 3.97Å; F13-F53 HydrophobicContact CZ-CD2 4.49Å; F13-F53 HydrophobicContact CZ-CG 4.29Å; F13-Y55 HydrophobicContact CB-CD1 4.29Å; F13-Y55 HydrophobicContact CB-CE1 4.09Å; F13-Y55 HydrophobicContact CD2-CD1 4.01Å; F13-Y55 AromaticContact CD2-CE1 3.41Å; F13-Y55 HydrophobicContact CD2-CE1 3.41Å; F13-Y55 VanDerWaalsContact CD2-CE1 3.41Å; F13-Y55 HydrophobicContact CD2-CE2 4.2Å; F13-Y55 AromaticContact CD2-CZ 3.51Å; F13-Y55 HydrophobicContact CE2-CE1 4.24Å; F13-Y55 HydrophobicContact CE2-CE2 4.39Å; F13-Y55 AromaticContact CE2-CZ 3.87Å; F13-Y55 HydrophobicContact CG-CE1 4.14Å; F13-Q84 WeakPolarHBondContact CA-O 3.47Å; F13-Q84 HydrophobicContact CD1-CB 4.46Å; F13-Q84 PolarHBondContact N-O 3.49Å; F13-Q84 PolarHBondContact O-N 3.04Å; F13-A86 HydrophobicContact CB-CB 4.4Å |
| 14 | V | 91.2 | Very high | 78.1 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122.4 | 179.6 | -168.8 | 0 | 0 | 0 | 0 | 108.4 | V17 F30 F53 A54 V56 I81 E82 I83 | V14-V17 HydrophobicContact CB-CG2 4.07Å; V14-V17 HydrophobicContact CG1-CG2 3.59Å; V14-F30 HydrophobicContact CG1-CZ 4.36Å; V14-F30 HydrophobicContact CG2-CE1 4.17Å; V14-F30 HydrophobicContact CG2-CE2 4.08Å; V14-F30 HydrophobicContact CG2-CZ 3.48Å; V14-F30 VanDerWaalsContact CG2-CZ 3.48Å; V14-F53 CarbonylContact O-C 3.48Å; V14-F53 WeakPolarHBondContact O-CA 3.32Å; V14-F53 VanDerWaalsContact O-CB 3.23Å; V14-F53 WeakPolarHBondContact O-CB 3.32Å; V14-A54 HydrophobicContact CB-CB 4.37Å; V14-A54 PolarHBondContact N-O 3.07Å; V14-A54 PolarHBondContact O-N 3.38Å; V14-V56 HydrophobicContact CG2-CG2 4.24Å; V14-I81 HydrophobicContact CG1-CB 4.03Å; V14-I81 HydrophobicContact CG1-CD1 4.16Å; V14-I81 HydrophobicContact CG1-CG2 4.24Å; V14-E82 CarbonylContact C-O 3.55Å; V14-E82 WeakPolarHBondContact CA-O 3.14Å; V14-I83 HydrophobicContact CG1-CG1 4.34Å; V14-I83 HydrophobicContact CG2-CG1 4.47Å |
| 15 | R | 91 | Very high | 80.6 | Confident | 113 Ų | 113 | 66.4 Ų | 66.4 | 43% | 0.426 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 158.2 | 177.5 | -171.1 | -172.2 | -63.3 | -168.8 | 3.2 | 110 | F13 V17 E82 | F13-R15 HydrophobicContact CE1-CB 4.09Å; F13-R15 HydrophobicContact CZ-CB 4.45Å; R15-V17 VanDerWaalsContact C-N 3.31Å; R15-V17 PolarHBondContact O-N 3.42Å; R15-E82 HydrophobicContact CB-CB 4.24Å; R15-E82 PolarHBondContact N-O 3.5Å; R15-E82 PolarHBondContact O-N 3.22Å |
| 16 | N | 89.8 | Confident | 82.6 | Confident | 73 Ų | 73 | 59 Ų | 59 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 62.6 | 35.9 | 179.5 | -161.1 | 39.5 | 0 | 0 | 0 | 113.5 | G52 Q80 | N16-G52 PolarHBondContact N-O 2.86Å; N16-Q80 WeakPolarHBondContact CB-O 3.48Å; N16-Q80 PolarHBondContact ND2-O 3.18Å |
| 17 | V | 88.3 | Confident | 84.5 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | trans | -69.9 | 139.5 | 174.9 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | V14 R15 T21 G52 A54 R79 | V14-V17 HydrophobicContact CB-CG2 4.07Å; V14-V17 HydrophobicContact CG1-CG2 3.59Å; R15-V17 VanDerWaalsContact C-N 3.31Å; R15-V17 PolarHBondContact O-N 3.42Å; V17-T21 HydrophobicContact CG1-CG2 3.84Å; V17-G52 PolarHBondContact N-O 2.89Å; V17-A54 HydrophobicContact CG2-CB 4.27Å; V17-R79 PolarHBondContact O-NH1 3.31Å | ||
| 18 | A | 85.4 | Confident | 86.1 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | trans | -67.6 | 151.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | D20 T21 C77 R79 | A18-D20 PolarHBondContact O-N 3.12Å; A18-T21 WeakPolarHBondContact CB-OG1 3.47Å; A18-T21 WeakPolarHBondContact O-CB 3.34Å; A18-T21 PolarHBondContact O-N 2.92Å; A18-T21 VanDerWaalsContact O-N 3.12Å; A18-C77 HydrophobicContact CB-CB 3.56Å; A18-R79 HydrophobicContact CB-CB 4.42Å; A18-R79 HydrophobicContact CB-CG 4.15Å | ||
| 19 | D | 83.5 | Confident | 87.4 | Confident | 70 Ų | 70 | 59.5 Ų | 59.5 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.7 | -177.2 | -48.8 | -32.8 | 0 | 0 | 0 | 111.8 | P50 R79 | D19-P50 HydrophobicContact CB-CG 4.06Å; D19-P50 WeakPolarHBondContact O-CG 3.16Å; D19-R79 VanDerWaalsContact CG-NH1 3.27Å; D19-R79 IonicContact OD1-CZ 2.68Å; D19-R79 IonicContact OD1-NH1 3.72Å; D19-R79 PolarHBondContact OD1-NH1 3.23Å; D19-R79 IonicContact OD1-NH2 3.73Å; D19-R79 IonicContact OD2-CZ 3.81Å; D19-R79 IonicContact OD2-NH1 2.85Å; D19-R79 PolarHBondContact OD2-NH1 3.12Å; D19-R79 IonicContact OD2-NH2 3.59Å; D19-R79 PolarHBondContact OD2-NH2 3.38Å |
| 20 | D | 83.5 | Confident | 88.4 | Confident | 136 Ų | 136 | 57 Ų | 57 | 73% | 0.727 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -12.3 | 177.1 | -61.5 | -37.5 | 0 | 0 | 0 | 113.2 | A18 R22 | A18-D20 PolarHBondContact O-N 3.12Å; D20-R22 PolarHBondContact O-N 3.46Å |
| 21 | T | 82.5 | Confident | 88.7 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | trans | -75.8 | 120.7 | -176.1 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | V17 A18 D25 L26 I76 C77 | V17-T21 HydrophobicContact CG1-CG2 3.84Å; A18-T21 WeakPolarHBondContact CB-OG1 3.47Å; A18-T21 WeakPolarHBondContact O-CB 3.34Å; A18-T21 PolarHBondContact O-N 2.92Å; A18-T21 VanDerWaalsContact O-N 3.12Å; T21-D25 HydrophobicContact CG2-CB 4.05Å; T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.8Å; T21-I76 HydrophobicContact CG2-CG2 4.39Å; T21-C77 PolarHBondContact OG1-SG 3.06Å | ||
| 22 | R | 84.7 | Confident | 88.7 | Confident | 176 Ų | 176 | 65 Ų | 65 | 66% | 0.664 | 30% | 0.297 | S | S | * | . | trans | -92.7 | 166.6 | 176.7 | -57.6 | -175.6 | 171 | 179.1 | -1.8 | 112.3 | D20 E24 D25 L26 | D20-R22 PolarHBondContact O-N 3.46Å; R22-E24 WeakPolarHBondContact CB-OE2 3.43Å; R22-E24 PolarHBondContact O-N 3.45Å; R22-D25 PolarHBondContact N-OD2 3.37Å; R22-D25 PolarHBondContact O-N 2.89Å; R22-D25 VanDerWaalsContact O-N 3.14Å; R22-L26 PolarHBondContact O-N 3.47Å | ||
| 23 | S | 89.4 | Confident | 88.7 | Confident | 44 Ų | 44 | 68 Ų | 68 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.1 | -36.4 | 172.6 | 30.9 | 0 | 0 | 0 | 0 | 112.4 | R27 | S23-R27 WeakPolarHBondContact O-CB 3.21Å; S23-R27 PolarHBondContact O-N 2.77Å |
| 24 | E | 90.4 | Very high | 88.7 | Confident | 109 Ų | 109 | 67 Ų | 67 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.9 | -34.3 | -178.3 | -59.8 | 68.4 | -134.2 | 0 | 0 | 112 | R22 R27 R28 | R22-E24 WeakPolarHBondContact CB-OE2 3.43Å; R22-E24 PolarHBondContact O-N 3.45Å; E24-R27 PolarHBondContact O-N 3.12Å; E24-R28 WeakPolarHBondContact O-CB 3.07Å; E24-R28 PolarHBondContact O-N 3.27Å |
| 25 | D | 89.2 | Confident | 88.7 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.5 | -44.3 | 178.3 | -62.5 | -48.8 | 0 | 0 | 0 | 111.3 | T21 R22 R27 R28 E29 | T21-D25 HydrophobicContact CG2-CB 4.05Å; R22-D25 PolarHBondContact N-OD2 3.37Å; R22-D25 PolarHBondContact O-N 2.89Å; R22-D25 VanDerWaalsContact O-N 3.14Å; D25-R27 VanDerWaalsContact C-N 3.31Å; D25-R27 PolarHBondContact O-N 2.97Å; D25-R28 PolarHBondContact O-N 2.84Å; D25-R28 IonicContact OD1-CZ 2.75Å; D25-R28 VanDerWaalsContact OD1-CZ 3.28Å; D25-R28 IonicContact OD1-NH1 2.68Å; D25-R28 PolarHBondContact OD1-NH1 2.89Å; D25-R28 IonicContact OD1-NH2 2.86Å; D25-R28 PolarHBondContact OD1-NH2 2.87Å; D25-E29 PolarHBondContact O-N 3.15Å |
| 26 | L | 89.7 | Confident | 88.8 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 172.1 | -64 | 176.2 | 0 | 0 | 0 | 110.2 | T21 R22 R28 E29 F30 V39 V41 A54 | T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.8Å; R22-L26 PolarHBondContact O-N 3.47Å; L26-R28 PolarHBondContact O-N 3.14Å; L26-E29 PolarHBondContact O-N 2.75Å; L26-F30 HydrophobicContact CB-CD2 4.23Å; L26-F30 HydrophobicContact CD2-CD2 4.37Å; L26-F30 HydrophobicContact CD2-CE2 3.92Å; L26-F30 VanDerWaalsContact O-CB 3.32Å; L26-F30 WeakPolarHBondContact O-CB 3.21Å; L26-F30 VanDerWaalsContact O-CD2 3.23Å; L26-F30 WeakPolarHBondContact O-CD2 3.35Å; L26-F30 PolarHBondContact O-N 3Å; L26-V39 HydrophobicContact CB-CG1 4.22Å; L26-V39 HydrophobicContact CD1-CG1 4.34Å; L26-V41 HydrophobicContact CD1-CG2 3.93Å; L26-A54 HydrophobicContact CD1-CB 3.35Å |
| 27 | R | 91.7 | Very high | 88.9 | Confident | 162 Ų | 162 | 66.9 Ų | 66.9 | 61% | 0.611 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59 | -37.5 | 178.1 | -166.4 | 176.9 | -178.3 | -146 | -0.7 | 112.6 | S23 E24 D25 G31 I36 V39 | S23-R27 WeakPolarHBondContact O-CB 3.21Å; S23-R27 PolarHBondContact O-N 2.77Å; E24-R27 PolarHBondContact O-N 3.12Å; D25-R27 VanDerWaalsContact C-N 3.31Å; D25-R27 PolarHBondContact O-N 2.97Å; R27-G31 VanDerWaalsContact O-CA 3.28Å; R27-G31 WeakPolarHBondContact O-CA 3.44Å; R27-G31 PolarHBondContact O-N 2.91Å; R27-I36 HydrophobicContact CB-CD1 4.42Å; R27-I36 HydrophobicContact CG-CD1 3.92Å; R27-I36 WeakPolarHBondContact O-CD1 3.39Å; R27-V39 HydrophobicContact CB-CG2 4.23Å; R27-V39 HydrophobicContact CG-CG2 4.46Å |
| 28 | R | 90.5 | Very high | 88.9 | Confident | 135 Ų | 135 | 69.4 Ų | 69.4 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.8 | -39.7 | 178.1 | -175.9 | 177.2 | 63.6 | -104.9 | 0.1 | 113.1 | E24 D25 L26 | E24-R28 WeakPolarHBondContact O-CB 3.07Å; E24-R28 PolarHBondContact O-N 3.27Å; D25-R28 PolarHBondContact O-N 2.84Å; D25-R28 IonicContact OD1-CZ 2.75Å; D25-R28 VanDerWaalsContact OD1-CZ 3.28Å; D25-R28 IonicContact OD1-NH1 2.68Å; D25-R28 PolarHBondContact OD1-NH1 2.89Å; D25-R28 IonicContact OD1-NH2 2.86Å; D25-R28 PolarHBondContact OD1-NH2 2.87Å; L26-R28 PolarHBondContact O-N 3.14Å |
| 29 | E | 89.4 | Confident | 89.2 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.5 | -47.5 | 178.7 | -71.1 | -60.7 | 129.6 | 0 | 0 | 111.7 | D25 L26 K74 I76 | D25-E29 PolarHBondContact O-N 3.15Å; L26-E29 PolarHBondContact O-N 2.75Å; E29-K74 IonicContact OE2-NZ 2.77Å; E29-K74 PolarHBondContact OE2-NZ 2.68Å; E29-I76 HydrophobicContact CG-CD1 4.36Å |
| 30 | F | 90.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -74.2 | -28.4 | 180 | -75.8 | -91.7 | 0 | 0 | 0 | 112.4 | L12 V14 L26 R32 Y33 I36 V56 F58 A67 L71 I81 I83 | L12-F30 HydrophobicContact CD1-CD1 4.42Å; L12-F30 HydrophobicContact CD1-CE1 4.13Å; V14-F30 HydrophobicContact CG1-CZ 4.36Å; V14-F30 HydrophobicContact CG2-CE1 4.17Å; V14-F30 HydrophobicContact CG2-CE2 4.08Å; V14-F30 HydrophobicContact CG2-CZ 3.48Å; V14-F30 VanDerWaalsContact CG2-CZ 3.48Å; L26-F30 HydrophobicContact CB-CD2 4.23Å; L26-F30 HydrophobicContact CD2-CD2 4.37Å; L26-F30 HydrophobicContact CD2-CE2 3.92Å; L26-F30 VanDerWaalsContact O-CB 3.32Å; L26-F30 WeakPolarHBondContact O-CB 3.21Å; L26-F30 VanDerWaalsContact O-CD2 3.23Å; L26-F30 WeakPolarHBondContact O-CD2 3.35Å; L26-F30 PolarHBondContact O-N 3Å; F30-R32 PolarHBondContact O-N 2.92Å; F30-R32 VanDerWaalsContact O-N 3.1Å; F30-Y33 PolarHBondContact O-N 3.1Å; F30-Y33 VanDerWaalsContact O-N 3.14Å; F30-I36 HydrophobicContact CB-CD1 3.73Å; F30-V56 HydrophobicContact CB-CG1 4.12Å; F30-V56 HydrophobicContact CD1-CG1 4.27Å; F30-V56 HydrophobicContact CD1-CG2 4.41Å; F30-V56 HydrophobicContact CD2-CG2 4.15Å; F30-V56 HydrophobicContact CE2-CG2 4.33Å; F30-V56 HydrophobicContact CG-CG1 4.19Å; F30-V56 HydrophobicContact CG-CG2 4.21Å; F30-F58 HydrophobicContact CB-CZ 3.9Å; F30-F58 HydrophobicContact CD1-CE2 4.03Å; F30-F58 AromaticContact CD1-CZ 3.88Å; F30-F58 HydrophobicContact CD1-CZ 3.88Å; F30-F58 HydrophobicContact CG-CZ 4.39Å; F30-A67 HydrophobicContact CD1-CB 4.22Å; F30-L71 HydrophobicContact CD1-CD1 3.54Å; F30-L71 HydrophobicContact CD2-CD1 4.17Å; F30-L71 HydrophobicContact CE1-CD1 3.59Å; F30-L71 HydrophobicContact CE2-CD1 4.21Å; F30-L71 HydrophobicContact CG-CD1 3.85Å; F30-L71 HydrophobicContact CZ-CD1 3.93Å; F30-I81 HydrophobicContact CZ-CD1 4.27Å; F30-I83 HydrophobicContact CE1-CD1 3.7Å; F30-I83 HydrophobicContact CZ-CD1 3.65Å; F30-I83 HydrophobicContact CZ-CG1 4.23Å |
| 31 | G | 90.5 | Very high | 89.8 | Confident | 40 Ų | 40 | 64 Ų | 64 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -7.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R27 Y33 | R27-G31 VanDerWaalsContact O-CA 3.28Å; R27-G31 WeakPolarHBondContact O-CA 3.44Å; R27-G31 PolarHBondContact O-N 2.91Å; G31-Y33 VanDerWaalsContact C-N 3.3Å |
| 32 | R | 90 | Very high | 89.9 | Confident | 186 Ų | 186 | 63.7 Ų | 63.7 | 70% | 0.702 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -23.2 | 172.6 | -66 | 177.7 | 179.8 | -114 | 3.3 | 112.9 | F30 | F30-R32 PolarHBondContact O-N 2.92Å; F30-R32 VanDerWaalsContact O-N 3.1Å |
| 33 | Y | 90.5 | Very high | 89.9 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 25% | 0.247 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -31.5 | -176.4 | -60.9 | -83.8 | 0 | 0 | 0 | 111.9 | F30 G31 D66 A67 N70 L71 | F30-Y33 PolarHBondContact O-N 3.1Å; F30-Y33 VanDerWaalsContact O-N 3.14Å; G31-Y33 VanDerWaalsContact C-N 3.3Å; Y33-D66 HydrophobicContact CD1-CB 4.42Å; Y33-A67 HydrophobicContact CD2-CB 4.03Å; Y33-A67 HydrophobicContact CG-CB 3.86Å; Y33-N70 HydrophobicContact CD1-CB 4.4Å; Y33-N70 HydrophobicContact CE1-CB 3.37Å; Y33-N70 WeakPolarHBondContact OH-CB 3.47Å; Y33-L71 HydrophobicContact CD2-CD1 3.82Å; Y33-L71 HydrophobicContact CD2-CG 4.18Å; Y33-L71 HydrophobicContact CE2-CD1 3.41Å; Y33-L71 VanDerWaalsContact CE2-CD1 3.41Å; Y33-L71 HydrophobicContact CE2-CD2 3.63Å; Y33-L71 HydrophobicContact CE2-CG 3.34Å; Y33-L71 WeakPolarHBondContact OH-CD2 3.21Å |
| 34 | G | 90.7 | Very high | 89.5 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -179.8 | 174.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I36 | G34-I36 PolarHBondContact O-N 3.27Š|
| 35 | P | 92.3 | Very high | 88.6 | Confident | 67 Ų | 67 | 62.3 Ų | 62.3 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | trans | -61.4 | 127.6 | 173.9 | 24.9 | -34.3 | 0 | 0 | 0 | 112.1 | E59 D63 | P35-E59 HydrophobicContact CB-CB 4.36Å; P35-E59 HydrophobicContact CG-CB 3.94Å; P35-E59 WeakPolarHBondContact CG-OE2 3.4Å; P35-E59 PolarHBondContact O-N 2.83Å; P35-E59 VanDerWaalsContact O-N 3.12Å; P35-D63 WeakPolarHBondContact CD-OD2 3.48Å | ||
| 36 | I | 92.1 | Very high | 88.1 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.2 | 178.5 | -59 | 168.1 | 0 | 0 | 0 | 109.2 | R27 F30 G34 V39 V56 Q57 F58 | R27-I36 HydrophobicContact CB-CD1 4.42Å; R27-I36 HydrophobicContact CG-CD1 3.92Å; R27-I36 WeakPolarHBondContact O-CD1 3.39Å; F30-I36 HydrophobicContact CB-CD1 3.73Å; G34-I36 PolarHBondContact O-N 3.27Å; I36-V39 HydrophobicContact CG2-CG2 3.62Å; I36-V56 HydrophobicContact CD1-CG1 4.31Å; I36-V56 HydrophobicContact CG1-CG1 4.29Å; I36-V56 HydrophobicContact CG2-CG1 3.95Å; I36-Q57 CarbonylContact C-O 3.57Å; I36-Q57 WeakPolarHBondContact CG2-O 3.32Å; I36-F58 HydrophobicContact CG1-CD1 4.28Å; I36-F58 HydrophobicContact CG1-CE1 3.96Å; I36-F58 HydrophobicContact CG1-CZ 4.45Å |
| 37 | V | 91.2 | Very high | 87.7 | Confident | 89 Ų | 89 | 73 Ų | 73 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -49.7 | 176 | 177.5 | 0 | 0 | 0 | 0 | 111 | Q57 E59 | V37-Q57 HydrophobicContact CB-CB 4.34Å; V37-Q57 HydrophobicContact CB-CG 4.09Å; V37-Q57 PolarHBondContact N-O 2.95Å; V37-E59 HydrophobicContact CG2-CB 4.02Å |
| 38 | D | 89.5 | Confident | 87 | Confident | 55 Ų | 55 | 75.2 Ų | 75.2 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 148.1 | -176.1 | -169 | 25.3 | 0 | 0 | 0 | 111.6 | Q57 R90 | D38-Q57 HydrophobicContact CB-CB 4.28Å; D38-Q57 PolarHBondContact N-O 2.78Å; D38-Q57 PolarHBondContact O-N 2.73Å; D38-R90 IonicContact OD2-CZ 2.8Å; D38-R90 IonicContact OD2-NH1 3.28Å; D38-R90 PolarHBondContact OD2-NH1 3.12Å |
| 39 | V | 91.4 | Very high | 86.5 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 116.4 | 172.7 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | L26 R27 I36 V41 Y55 | L26-V39 HydrophobicContact CB-CG1 4.22Å; L26-V39 HydrophobicContact CD1-CG1 4.34Å; R27-V39 HydrophobicContact CB-CG2 4.23Å; R27-V39 HydrophobicContact CG-CG2 4.46Å; I36-V39 HydrophobicContact CG2-CG2 3.62Å; V39-V41 HydrophobicContact CG1-CG2 4.38Å; V39-Y55 WeakPolarHBondContact CA-O 3.47Å |
| 40 | Y | 89 | Confident | 86.2 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 16% | 0.161 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 118.1 | -178.1 | -179 | -128.7 | 0 | 0 | 0 | 110.9 | P42 A54 Y55 R90 | Y40-P42 HydrophobicContact CD1-CG 3.85Å; Y40-P42 HydrophobicContact CE1-CB 4.41Å; Y40-P42 HydrophobicContact CE1-CG 3.47Å; Y40-P42 VanDerWaalsContact CE1-CG 3.47Å; Y40-P42 WeakPolarHBondContact O-CD 3.39Å; Y40-A54 CarbonylContact O-C 3.57Å; Y40-A54 WeakPolarHBondContact O-CA 3.35Å; Y40-Y55 HydrophobicContact CD1-CD2 4.03Å; Y40-Y55 PolarHBondContact N-O 2.82Å; Y40-Y55 PolarHBondContact O-N 2.76Å; Y40-R90 HydrophobicContact CD1-CG 4.4Å |
| 41 | V | 89.5 | Confident | 85.7 | Confident | 28 Ų | 28 | 80.4 Ų | 80.4 | 17% | 0.17 | 38% | 0.379 | C | S | . | . | trans | -114.5 | 99.7 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | L26 V39 L43 P50 A54 | L26-V41 HydrophobicContact CD1-CG2 3.93Å; V39-V41 HydrophobicContact CG1-CG2 4.38Å; V41-L43 PolarHBondContact O-N 2.84Å; V41-P50 HydrophobicContact CG1-CB 4.25Å; V41-A54 HydrophobicContact CG2-CB 3.95Å | ||
| 42 | P | 84.9 | Confident | 85.5 | Confident | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.013 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 119.8 | 178.1 | -25.8 | 38.7 | 0 | 0 | 0 | 111.6 | Y40 R51 F53 Y55 M96 | Y40-P42 HydrophobicContact CD1-CG 3.85Å; Y40-P42 HydrophobicContact CE1-CB 4.41Å; Y40-P42 HydrophobicContact CE1-CG 3.47Å; Y40-P42 VanDerWaalsContact CE1-CG 3.47Å; Y40-P42 WeakPolarHBondContact O-CD 3.39Å; P42-R51 WeakPolarHBondContact O-CG 3.42Å; P42-R51 PolarHBondContact O-N 2.9Å; P42-F53 HydrophobicContact CB-CE2 3.92Å; P42-F53 HydrophobicContact CB-CZ 4.14Å; P42-F53 HydrophobicContact CG-CD2 4.16Å; P42-F53 HydrophobicContact CG-CE2 3.58Å; P42-F53 HydrophobicContact CG-CZ 4.29Å; P42-Y55 HydrophobicContact CG-CD2 4.34Å; P42-Y55 HydrophobicContact CG-CE2 4.28Å; P42-M96 HydrophobicContact CB-CE 3.89Å; P42-M96 HydrophobicContact CB-SD 4.29Å; P42-M96 HydrophobicContact CG-CE 4.39Å; P42-M96 HydrophobicContact CG-SD 4.49Å |
| 43 | L | 85.1 | Confident | 85.5 | Confident | 104 Ų | 104 | 71.9 Ų | 71.9 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -86.8 | 144.8 | 169.8 | -56.4 | 175.6 | 0 | 0 | 0 | 109.4 | V41 P50 | V41-L43 PolarHBondContact O-N 2.84Å; L43-P50 HydrophobicContact CD2-CB 4.02Å |
| 44 | D | 81.2 | Confident | 85.5 | Confident | 29 Ų | 29 | 68.9 Ų | 68.9 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 135.4 | 167.7 | 174.4 | 30.3 | 0 | 0 | 0 | 109.7 | Y46 T47 R48 R49 R51 | D44-Y46 VanDerWaalsContact C-N 3.31Å; D44-Y46 PolarHBondContact O-N 2.86Å; D44-Y46 PolarHBondContact OD1-N 2.88Å; D44-T47 WeakPolarHBondContact CB-OG1 3.16Å; D44-T47 WeakPolarHBondContact OD2-CB 3.25Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.34Å; D44-T47 PolarHBondContact OD2-N 3.43Å; D44-T47 PolarHBondContact OD2-OG1 3.1Å; D44-R48 WeakPolarHBondContact O-CA 3.43Å; D44-R48 PolarHBondContact O-N 3.23Å; D44-R49 PolarHBondContact N-O 2.76Å; D44-R51 HydrophobicContact CB-CG 4.08Å |
| 45 | F | 72.6 | Confident | 85.5 | Confident | 166 Ų | 166 | 72.2 Ų | 72.2 | 73% | 0.728 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -35 | -176.5 | -178.3 | -95.3 | 0 | 0 | 0 | 112 | ||
| 46 | Y | 77.2 | Confident | 85.5 | Confident | 181 Ų | 181 | 69 Ų | 69 | 71% | 0.71 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -51.7 | -174.3 | -61.5 | -79.6 | 0 | 0 | 0 | 112.1 | D44 | D44-Y46 VanDerWaalsContact C-N 3.31Å; D44-Y46 PolarHBondContact O-N 2.86Å; D44-Y46 PolarHBondContact OD1-N 2.88Å |
| 47 | T | 81.5 | Confident | 85.4 | Confident | 83 Ų | 83 | 71.2 Ų | 71.2 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -12.4 | -175.7 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | D44 R49 | D44-T47 WeakPolarHBondContact CB-OG1 3.16Å; D44-T47 WeakPolarHBondContact OD2-CB 3.25Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.34Å; D44-T47 PolarHBondContact OD2-N 3.43Å; D44-T47 PolarHBondContact OD2-OG1 3.1Å; T47-R49 PolarHBondContact O-N 3.42Å; T47-R49 PolarHBondContact OG1-N 3.01Å |
| 48 | R | 77.7 | Confident | 85.5 | Confident | 207 Ų | 207 | 67 Ų | 67 | 78% | 0.781 | 30% | 0.301 | S | S | * | . | trans | 53.3 | 15.9 | -168.8 | -59.8 | -146.8 | -176.9 | -142.4 | 5.8 | 114.5 | D44 | D44-R48 WeakPolarHBondContact O-CA 3.43Å; D44-R48 PolarHBondContact O-N 3.23Å | ||
| 49 | R | 80.2 | Confident | 85.5 | Confident | 167 Ų | 167 | 70.7 Ų | 70.7 | 63% | 0.63 | 32% | 0.316 | S | S | * | . | trans | -85.5 | 147 | 175 | -65.3 | -176.5 | 178.4 | -146 | -0.7 | 109.6 | D44 T47 R51 | D44-R49 PolarHBondContact N-O 2.76Å; T47-R49 PolarHBondContact O-N 3.42Å; T47-R49 PolarHBondContact OG1-N 3.01Å; R49-R51 PolarHBondContact O-N 3.15Å | ||
| 50 | P | 82 | Confident | 85.4 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 17% | 0.169 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -60.3 | 139.8 | 171.6 | 28.2 | -35.7 | 0 | 0 | 0 | 109.7 | D19 V41 L43 G52 | D19-P50 HydrophobicContact CB-CG 4.06Å; D19-P50 WeakPolarHBondContact O-CG 3.16Å; V41-P50 HydrophobicContact CG1-CB 4.25Å; L43-P50 HydrophobicContact CD2-CB 4.02Å; P50-G52 PolarHBondContact O-N 3.39Å |
| 51 | R | 80.6 | Confident | 85.4 | Confident | 87 Ų | 87 | 72 Ų | 72 | 33% | 0.328 | 33% | 0.326 | S | S | . | . | trans | -75.2 | 9.8 | -177.1 | -63.6 | 175.5 | 65.2 | 138.3 | 11.7 | 113.6 | P42 D44 R49 F53 E100 | P42-R51 WeakPolarHBondContact O-CG 3.42Å; P42-R51 PolarHBondContact O-N 2.9Å; D44-R51 HydrophobicContact CB-CG 4.08Å; R49-R51 PolarHBondContact O-N 3.15Å; R51-F53 VanDerWaalsContact C-N 3.31Å; R51-F53 HydrophobicContact CB-CD1 3.62Å; R51-F53 HydrophobicContact CB-CE1 3.27Å; R51-F53 HydrophobicContact CB-CZ 4.01Å; R51-F53 HydrophobicContact CG-CE1 4.15Å; R51-F53 WeakPolarHBondContact O-CD1 3.18Å; R51-E100 IonicContact CZ-OE1 3.04Å; R51-E100 IonicContact CZ-OE2 3.69Å; R51-E100 VanDerWaalsContact NH1-CD 3.3Å; R51-E100 IonicContact NH1-OE1 3.86Å; R51-E100 PolarHBondContact NH1-OE1 3.03Å; R51-E100 IonicContact NH1-OE2 2.84Å; R51-E100 PolarHBondContact NH1-OE2 3.11Å; R51-E100 IonicContact NH2-OE1 3.06Å; R51-E100 PolarHBondContact NH2-OE1 3.31Å; R51-E100 IonicContact NH2-OE2 3.41Å | ||
| 52 | G | 86.7 | Confident | 85.4 | Confident | 15 Ų | 15 | 78.3 Ų | 78.3 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 72.8 | 19 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | N16 V17 P50 | N16-G52 PolarHBondContact N-O 2.86Å; V17-G52 PolarHBondContact N-O 2.89Å; P50-G52 PolarHBondContact O-N 3.39Å |
| 53 | F | 90 | Very high | 85.7 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 155.4 | 173.1 | 64.9 | -93.7 | 0 | 0 | 0 | 112.7 | F13 V14 P42 R51 Y55 M96 | F13-F53 HydrophobicContact CE2-CB 3.68Å; F13-F53 AromaticContact CE2-CD2 3.66Å; F13-F53 HydrophobicContact CE2-CD2 3.66Å; F13-F53 HydrophobicContact CE2-CE2 4.47Å; F13-F53 AromaticContact CE2-CG 3.85Å; F13-F53 HydrophobicContact CE2-CG 3.85Å; F13-F53 HydrophobicContact CZ-CB 3.97Å; F13-F53 HydrophobicContact CZ-CD2 4.49Å; F13-F53 HydrophobicContact CZ-CG 4.29Å; V14-F53 CarbonylContact O-C 3.48Å; V14-F53 WeakPolarHBondContact O-CA 3.32Å; V14-F53 VanDerWaalsContact O-CB 3.23Å; V14-F53 WeakPolarHBondContact O-CB 3.32Å; P42-F53 HydrophobicContact CB-CE2 3.92Å; P42-F53 HydrophobicContact CB-CZ 4.14Å; P42-F53 HydrophobicContact CG-CD2 4.16Å; P42-F53 HydrophobicContact CG-CE2 3.58Å; P42-F53 HydrophobicContact CG-CZ 4.29Å; R51-F53 VanDerWaalsContact C-N 3.31Å; R51-F53 HydrophobicContact CB-CD1 3.62Å; R51-F53 HydrophobicContact CB-CE1 3.27Å; R51-F53 HydrophobicContact CB-CZ 4.01Å; R51-F53 HydrophobicContact CG-CE1 4.15Å; R51-F53 WeakPolarHBondContact O-CD1 3.18Å; F53-Y55 AromaticContact CD2-CE2 3.85Å; F53-Y55 HydrophobicContact CD2-CE2 3.85Å; F53-Y55 AromaticContact CE2-CE2 3.79Å; F53-Y55 HydrophobicContact CE2-CE2 3.79Å; F53-M96 HydrophobicContact CE2-CE 4.42Å; F53-M96 HydrophobicContact CZ-CE 3.99Å |
| 54 | A | 90.7 | Very high | 86 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 161.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V14 V17 L26 Y40 V41 | V14-A54 HydrophobicContact CB-CB 4.37Å; V14-A54 PolarHBondContact N-O 3.07Å; V14-A54 PolarHBondContact O-N 3.38Å; V17-A54 HydrophobicContact CG2-CB 4.27Å; L26-A54 HydrophobicContact CD1-CB 3.35Å; Y40-A54 CarbonylContact O-C 3.57Å; Y40-A54 WeakPolarHBondContact O-CA 3.35Å; V41-A54 HydrophobicContact CG2-CB 3.95Å |
| 55 | Y | 91 | Very high | 86.4 | Confident | 82 Ų | 82 | 77.2 Ų | 77.2 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.2 | 170.5 | -64.6 | -89.3 | 0 | 0 | 0 | 109.1 | L12 F13 V39 Y40 P42 F53 A86 | L12-Y55 VanDerWaalsContact O-CA 3.28Å; L12-Y55 WeakPolarHBondContact O-CA 3.42Å; F13-Y55 HydrophobicContact CB-CD1 4.29Å; F13-Y55 HydrophobicContact CB-CE1 4.09Å; F13-Y55 HydrophobicContact CD2-CD1 4.01Å; F13-Y55 AromaticContact CD2-CE1 3.41Å; F13-Y55 HydrophobicContact CD2-CE1 3.41Å; F13-Y55 VanDerWaalsContact CD2-CE1 3.41Å; F13-Y55 HydrophobicContact CD2-CE2 4.2Å; F13-Y55 AromaticContact CD2-CZ 3.51Å; F13-Y55 HydrophobicContact CE2-CE1 4.24Å; F13-Y55 HydrophobicContact CE2-CE2 4.39Å; F13-Y55 AromaticContact CE2-CZ 3.87Å; F13-Y55 HydrophobicContact CG-CE1 4.14Å; V39-Y55 WeakPolarHBondContact CA-O 3.47Å; Y40-Y55 HydrophobicContact CD1-CD2 4.03Å; Y40-Y55 PolarHBondContact N-O 2.82Å; Y40-Y55 PolarHBondContact O-N 2.76Å; P42-Y55 HydrophobicContact CG-CD2 4.34Å; P42-Y55 HydrophobicContact CG-CE2 4.28Å; F53-Y55 AromaticContact CD2-CE2 3.85Å; F53-Y55 HydrophobicContact CD2-CE2 3.85Å; F53-Y55 AromaticContact CE2-CE2 3.79Å; F53-Y55 HydrophobicContact CE2-CE2 3.79Å; Y55-A86 HydrophobicContact CD1-CB 4.36Å; Y55-A86 HydrophobicContact CE1-CB 4.45Å |
| 56 | V | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.2 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | S11 L12 V14 F30 I36 F58 | S11-V56 CarbonylContact C-O 3.58Å; S11-V56 WeakPolarHBondContact CA-O 3.25Å; L12-V56 PolarHBondContact N-O 2.9Å; L12-V56 PolarHBondContact O-N 3.17Å; V14-V56 HydrophobicContact CG2-CG2 4.24Å; F30-V56 HydrophobicContact CB-CG1 4.12Å; F30-V56 HydrophobicContact CD1-CG1 4.27Å; F30-V56 HydrophobicContact CD1-CG2 4.41Å; F30-V56 HydrophobicContact CD2-CG2 4.15Å; F30-V56 HydrophobicContact CE2-CG2 4.33Å; F30-V56 HydrophobicContact CG-CG1 4.19Å; F30-V56 HydrophobicContact CG-CG2 4.21Å; I36-V56 HydrophobicContact CD1-CG1 4.31Å; I36-V56 HydrophobicContact CG1-CG1 4.29Å; I36-V56 HydrophobicContact CG2-CG1 3.95Å; V56-F58 HydrophobicContact CG1-CD2 4.23Å; V56-F58 HydrophobicContact CG1-CE2 3.75Å; V56-F58 HydrophobicContact CG1-CZ 4.18Å |
| 57 | Q | 90.8 | Very high | 88 | Confident | 74 Ų | 74 | 64.6 Ų | 64.6 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.1 | 176.9 | -174 | 167.7 | 26.5 | 0 | 0 | 109.6 | I36 V37 D38 | I36-Q57 CarbonylContact C-O 3.57Å; I36-Q57 WeakPolarHBondContact CG2-O 3.32Å; V37-Q57 HydrophobicContact CB-CB 4.34Å; V37-Q57 HydrophobicContact CB-CG 4.09Å; V37-Q57 PolarHBondContact N-O 2.95Å; D38-Q57 HydrophobicContact CB-CB 4.28Å; D38-Q57 PolarHBondContact N-O 2.78Å; D38-Q57 PolarHBondContact O-N 2.73Å |
| 58 | F | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 160.1 | 171.6 | -73.3 | -86.9 | 0 | 0 | 0 | 111.3 | T10 L12 F30 I36 V56 D60 D63 A64 A67 | T10-F58 WeakPolarHBondContact CB-O 3.38Å; T10-F58 PolarHBondContact O-N 3.19Å; T10-F58 PolarHBondContact OG1-O 3.45Å; T10-F58 VanDerWaalsContact OG1-O 3.1Å; L12-F58 HydrophobicContact CD1-CD2 4.14Å; L12-F58 HydrophobicContact CD1-CE2 3.58Å; L12-F58 HydrophobicContact CG-CD2 4.28Å; L12-F58 HydrophobicContact CG-CE2 4.16Å; F30-F58 HydrophobicContact CB-CZ 3.9Å; F30-F58 HydrophobicContact CD1-CE2 4.03Å; F30-F58 AromaticContact CD1-CZ 3.88Å; F30-F58 HydrophobicContact CD1-CZ 3.88Å; F30-F58 HydrophobicContact CG-CZ 4.39Å; I36-F58 HydrophobicContact CG1-CD1 4.28Å; I36-F58 HydrophobicContact CG1-CE1 3.96Å; I36-F58 HydrophobicContact CG1-CZ 4.45Å; V56-F58 HydrophobicContact CG1-CD2 4.23Å; V56-F58 HydrophobicContact CG1-CE2 3.75Å; V56-F58 HydrophobicContact CG1-CZ 4.18Å; F58-D60 WeakPolarHBondContact CB-O 3.43Å; F58-D63 HydrophobicContact CD1-CB 3.94Å; F58-D63 HydrophobicContact CE1-CB 4.47Å; F58-D63 HydrophobicContact CG-CB 4.45Å; F58-A64 HydrophobicContact CB-CB 4.15Å; F58-A64 HydrophobicContact CD2-CB 3.74Å; F58-A64 HydrophobicContact CG-CB 4.14Å; F58-A67 HydrophobicContact CE2-CB 3.96Å; F58-A67 HydrophobicContact CZ-CB 3.68Å |
| 59 | E | 89.4 | Confident | 89 | Confident | 132 Ų | 132 | 58.6 Ų | 58.6 | 62% | 0.617 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -73 | -46.6 | 170.8 | -169.4 | 173.1 | 173.8 | 0 | 0 | 110.3 | P35 V37 | P35-E59 HydrophobicContact CB-CB 4.36Å; P35-E59 HydrophobicContact CG-CB 3.94Å; P35-E59 WeakPolarHBondContact CG-OE2 3.4Å; P35-E59 PolarHBondContact O-N 2.83Å; P35-E59 VanDerWaalsContact O-N 3.12Å; V37-E59 HydrophobicContact CG2-CB 4.02Å |
| 60 | D | 89.2 | Confident | 89.4 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 35% | 0.353 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -106.8 | 149.3 | -179.2 | -103.1 | -13.5 | 0 | 0 | 0 | 112.2 | F58 R62 D63 A64 | F58-D60 WeakPolarHBondContact CB-O 3.43Å; D60-R62 IonicContact OD2-CZ 3.78Å; D60-R62 IonicContact OD2-NE 3.86Å; D60-R62 IonicContact OD2-NH2 2.85Å; D60-R62 PolarHBondContact OD2-NH2 2.93Å; D60-D63 HydrophobicContact CB-CB 4.46Å; D60-A64 PolarHBondContact O-N 3.45Å |
| 61 | V | 88.9 | Confident | 89.7 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.3 | -38.2 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 111 | P8 T10 D63 A64 E65 | P8-V61 HydrophobicContact CB-CB 4.24Å; P8-V61 HydrophobicContact CB-CG1 3.81Å; P8-V61 HydrophobicContact CB-CG2 3.45Å; P8-V61 VanDerWaalsContact CB-CG2 3.45Å; P8-V61 HydrophobicContact CG-CG2 3.41Å; P8-V61 VanDerWaalsContact CG-CG2 3.41Å; T10-V61 HydrophobicContact CG2-CB 4.43Å; T10-V61 HydrophobicContact CG2-CG2 3.59Å; V61-D63 VanDerWaalsContact C-N 3.3Å; V61-D63 PolarHBondContact O-N 3.1Å; V61-A64 WeakPolarHBondContact O-CA 3.28Å; V61-A64 WeakPolarHBondContact O-CB 3.1Å; V61-A64 PolarHBondContact O-N 2.73Å; V61-E65 PolarHBondContact O-N 2.76Å |
| 62 | R | 90.4 | Very high | 90.1 | Very high | 160 Ų | 160 | 52.2 Ų | 52.2 | 60% | 0.604 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | -179.2 | -62.9 | 174.6 | -65.5 | 176.2 | 1.9 | 110.7 | D60 A64 E65 D66 | D60-R62 IonicContact OD2-CZ 3.78Å; D60-R62 IonicContact OD2-NE 3.86Å; D60-R62 IonicContact OD2-NH2 2.85Å; D60-R62 PolarHBondContact OD2-NH2 2.93Å; R62-A64 VanDerWaalsContact C-N 3.28Å; R62-A64 PolarHBondContact O-N 3.38Å; R62-E65 WeakPolarHBondContact O-CB 3.41Å; R62-E65 PolarHBondContact O-N 2.85Å; R62-D66 PolarHBondContact O-N 2.94Å |
| 63 | D | 91.4 | Very high | 90 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 176.5 | -55.6 | -12.9 | 0 | 0 | 0 | 111.7 | P35 F58 D60 V61 A67 | P35-D63 WeakPolarHBondContact CD-OD2 3.48Å; F58-D63 HydrophobicContact CD1-CB 3.94Å; F58-D63 HydrophobicContact CE1-CB 4.47Å; F58-D63 HydrophobicContact CG-CB 4.45Å; D60-D63 HydrophobicContact CB-CB 4.46Å; V61-D63 VanDerWaalsContact C-N 3.3Å; V61-D63 PolarHBondContact O-N 3.1Å; D63-A67 WeakPolarHBondContact O-CB 3.43Å; D63-A67 PolarHBondContact O-N 3.47Å |
| 64 | A | 90.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | L12 F58 D60 V61 R62 L68 | L12-A64 HydrophobicContact CD1-CB 4.39Å; L12-A64 WeakPolarHBondContact CD1-O 3.28Å; L12-A64 HydrophobicContact CD2-CB 4.06Å; L12-A64 HydrophobicContact CG-CB 4.12Å; F58-A64 HydrophobicContact CB-CB 4.15Å; F58-A64 HydrophobicContact CD2-CB 3.74Å; F58-A64 HydrophobicContact CG-CB 4.14Å; D60-A64 PolarHBondContact O-N 3.45Å; V61-A64 WeakPolarHBondContact O-CA 3.28Å; V61-A64 WeakPolarHBondContact O-CB 3.1Å; V61-A64 PolarHBondContact O-N 2.73Å; R62-A64 VanDerWaalsContact C-N 3.28Å; R62-A64 PolarHBondContact O-N 3.38Å; A64-L68 VanDerWaalsContact O-CB 3.25Å; A64-L68 WeakPolarHBondContact O-CB 3.23Å; A64-L68 PolarHBondContact O-N 3.42Å |
| 65 | E | 91 | Very high | 89.5 | Confident | 86 Ų | 86 | 69.8 Ų | 69.8 | 40% | 0.402 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 172.9 | -78.1 | 172.7 | 170.5 | 0 | 0 | 111.2 | V61 R62 A67 L68 H69 F85 | V61-E65 PolarHBondContact O-N 2.76Å; R62-E65 WeakPolarHBondContact O-CB 3.41Å; R62-E65 PolarHBondContact O-N 2.85Å; E65-A67 PolarHBondContact O-N 3.4Å; E65-L68 WeakPolarHBondContact O-CB 3.41Å; E65-L68 PolarHBondContact O-N 3Å; E65-H69 PolarHBondContact O-CD2 3.23Å; E65-H69 PolarHBondContact O-N 3.1Å; E65-F85 HydrophobicContact CG-CE1 4.49Å; E65-F85 HydrophobicContact CG-CZ 3.66Å |
| 66 | D | 91.3 | Very high | 89 | Confident | 82 Ų | 82 | 66.4 Ų | 66.4 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178 | -76.1 | -21.2 | 0 | 0 | 0 | 111.6 | Y33 R62 H69 N70 | Y33-D66 HydrophobicContact CD1-CB 4.42Å; R62-D66 PolarHBondContact O-N 2.94Å; D66-H69 PolarHBondContact O-N 3.25Å; D66-N70 WeakPolarHBondContact O-CB 3.46Å; D66-N70 PolarHBondContact O-N 3.23Å; D66-N70 PolarHBondContact O-ND2 3.26Å |
| 67 | A | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L12 F30 Y33 F58 D63 E65 L71 | L12-A67 HydrophobicContact CD1-CB 3.93Å; F30-A67 HydrophobicContact CD1-CB 4.22Å; Y33-A67 HydrophobicContact CD2-CB 4.03Å; Y33-A67 HydrophobicContact CG-CB 3.86Å; F58-A67 HydrophobicContact CE2-CB 3.96Å; F58-A67 HydrophobicContact CZ-CB 3.68Å; D63-A67 WeakPolarHBondContact O-CB 3.43Å; D63-A67 PolarHBondContact O-N 3.47Å; E65-A67 PolarHBondContact O-N 3.4Å; A67-L71 HydrophobicContact CB-CD1 4.46Å; A67-L71 WeakPolarHBondContact O-CB 3.39Å; A67-L71 PolarHBondContact O-N 2.96Å |
| 68 | L | 90.8 | Very high | 87.9 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 175.9 | 175.9 | 73.1 | 0 | 0 | 0 | 110.8 | L12 A64 E65 N70 D72 I83 F85 | L12-L68 HydrophobicContact CD2-CB 4.36Å; A64-L68 VanDerWaalsContact O-CB 3.25Å; A64-L68 WeakPolarHBondContact O-CB 3.23Å; A64-L68 PolarHBondContact O-N 3.42Å; E65-L68 WeakPolarHBondContact O-CB 3.41Å; E65-L68 PolarHBondContact O-N 3Å; L68-N70 PolarHBondContact O-N 2.99Å; L68-D72 WeakPolarHBondContact O-CB 3.23Å; L68-D72 PolarHBondContact O-N 3.01Å; L68-D72 VanDerWaalsContact O-N 3.12Å; L68-I83 VanDerWaalsContact CD1-C 3.45Å; L68-I83 HydrophobicContact CD1-CB 3.76Å; L68-I83 HydrophobicContact CD1-CG2 3.53Å; L68-I83 WeakPolarHBondContact CD1-O 3.43Å; L68-F85 HydrophobicContact CD2-CD2 3.7Å; L68-F85 HydrophobicContact CD2-CE2 3.29Å; L68-F85 HydrophobicContact CD2-CG 4.48Å; L68-F85 HydrophobicContact CD2-CZ 3.77Å |
| 69 | H | 89.5 | Confident | 87.6 | Confident | 143 Ų | 143 | 73.4 Ų | 73.4 | 66% | 0.662 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.5 | -35.5 | -176.1 | -73.8 | -60.8 | 0 | 0 | 0 | 113.6 | E65 D66 | E65-H69 PolarHBondContact O-CD2 3.23Å; E65-H69 PolarHBondContact O-N 3.1Å; D66-H69 PolarHBondContact O-N 3.25Å |
| 70 | N | 89.3 | Confident | 87.6 | Confident | 99 Ų | 99 | 70.8 Ų | 70.8 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -92.7 | -29 | -174.5 | -70 | -64.9 | 0 | 0 | 0 | 114.4 | Y33 D66 L68 | Y33-N70 HydrophobicContact CD1-CB 4.4Å; Y33-N70 HydrophobicContact CE1-CB 3.37Å; Y33-N70 WeakPolarHBondContact OH-CB 3.47Å; D66-N70 WeakPolarHBondContact O-CB 3.46Å; D66-N70 PolarHBondContact O-N 3.23Å; D66-N70 PolarHBondContact O-ND2 3.26Å; L68-N70 PolarHBondContact O-N 2.99Å |
| 71 | L | 87.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -99 | -12.3 | -179.1 | -65.3 | 175.3 | 0 | 0 | 0 | 113.2 | F30 Y33 A67 R73 K74 I81 I83 | F30-L71 HydrophobicContact CD1-CD1 3.54Å; F30-L71 HydrophobicContact CD2-CD1 4.17Å; F30-L71 HydrophobicContact CE1-CD1 3.59Å; F30-L71 HydrophobicContact CE2-CD1 4.21Å; F30-L71 HydrophobicContact CG-CD1 3.85Å; F30-L71 HydrophobicContact CZ-CD1 3.93Å; Y33-L71 HydrophobicContact CD2-CD1 3.82Å; Y33-L71 HydrophobicContact CD2-CG 4.18Å; Y33-L71 HydrophobicContact CE2-CD1 3.41Å; Y33-L71 VanDerWaalsContact CE2-CD1 3.41Å; Y33-L71 HydrophobicContact CE2-CD2 3.63Å; Y33-L71 HydrophobicContact CE2-CG 3.34Å; Y33-L71 WeakPolarHBondContact OH-CD2 3.21Å; A67-L71 HydrophobicContact CB-CD1 4.46Å; A67-L71 WeakPolarHBondContact O-CB 3.39Å; A67-L71 PolarHBondContact O-N 2.96Å; L71-R73 PolarHBondContact O-N 2.84Å; L71-K74 HydrophobicContact CD2-CD 3.47Å; L71-K74 VanDerWaalsContact CD2-CD 3.47Å; L71-K74 VanDerWaalsContact O-CB 3.32Å; L71-K74 WeakPolarHBondContact O-CB 3.36Å; L71-K74 PolarHBondContact O-N 2.78Å; L71-K74 VanDerWaalsContact O-N 3.1Å; L71-I81 HydrophobicContact CB-CD1 4.43Å; L71-I83 HydrophobicContact CB-CD1 3.29Å; L71-I83 HydrophobicContact CD1-CD1 4.46Å |
| 72 | D | 88.8 | Confident | 87.9 | Confident | 46 Ų | 46 | 70 Ų | 70 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 128.6 | 173.7 | -178.2 | 56.1 | 0 | 0 | 0 | 109.7 | L68 K74 I83 | L68-D72 WeakPolarHBondContact O-CB 3.23Å; L68-D72 PolarHBondContact O-N 3.01Å; L68-D72 VanDerWaalsContact O-N 3.12Å; D72-K74 PolarHBondContact O-N 3.24Å; D72-I83 PolarHBondContact OD1-N 2.88Å |
| 73 | R | 85 | Confident | 87.9 | Confident | 160 Ų | 160 | 62.7 Ų | 62.7 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 21 | -178 | -70.6 | 173.7 | -76.2 | -167 | 0.1 | 115.3 | L71 Q80 I81 | L71-R73 PolarHBondContact O-N 2.84Å; R73-Q80 HydrophobicContact CB-CG 4.14Å; R73-Q80 HydrophobicContact CG-CG 4.39Å; R73-Q80 WeakPolarHBondContact O-CG 3.1Å; R73-Q80 PolarHBondContact O-NE2 2.75Å; R73-I81 WeakPolarHBondContact CA-O 3.46Å; R73-I81 PolarHBondContact N-O 3.14Å |
| 74 | K | 86.5 | Confident | 87.9 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 33% | 0.326 | 32% | 0.318 | S | S | . | . | trans | -76.8 | 149.5 | 169.3 | -164.2 | -179 | 178.4 | -170.1 | 0 | 111.6 | E29 L71 D72 Q80 I81 | E29-K74 IonicContact OE2-NZ 2.77Å; E29-K74 PolarHBondContact OE2-NZ 2.68Å; L71-K74 HydrophobicContact CD2-CD 3.47Å; L71-K74 VanDerWaalsContact CD2-CD 3.47Å; L71-K74 VanDerWaalsContact O-CB 3.32Å; L71-K74 WeakPolarHBondContact O-CB 3.36Å; L71-K74 PolarHBondContact O-N 2.78Å; L71-K74 VanDerWaalsContact O-N 3.1Å; D72-K74 PolarHBondContact O-N 3.24Å; K74-Q80 WeakPolarHBondContact O-CA 3.43Å; K74-I81 HydrophobicContact CB-CG1 4.49Å; K74-I81 VanDerWaalsContact O-CG1 3.32Å; K74-I81 WeakPolarHBondContact O-CG1 3.48Å; K74-I81 PolarHBondContact O-N 2.86Å | ||
| 75 | W | 85.3 | Confident | 87.8 | Confident | 182 Ų | 182 | 68.3 Ų | 68.3 | 69% | 0.689 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.8 | 174.4 | -69.7 | 70 | 0 | 0 | 0 | 110.4 | R79 | W75-R79 WeakPolarHBondContact CA-O 3.5Å |
| 76 | I | 80.4 | Confident | 87.5 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.6 | 174.7 | -58 | -174.2 | 0 | 0 | 0 | 108.1 | T21 E29 G78 R79 I81 | T21-I76 HydrophobicContact CG2-CG2 4.39Å; E29-I76 HydrophobicContact CG-CD1 4.36Å; I76-G78 PolarHBondContact O-N 3.41Å; I76-G78 VanDerWaalsContact O-N 3.1Å; I76-R79 PolarHBondContact N-O 2.85Å; I76-R79 PolarHBondContact O-N 2.8Å; I76-I81 HydrophobicContact CB-CG2 4.07Å; I76-I81 HydrophobicContact CD1-CD1 3.38Å; I76-I81 HydrophobicContact CD1-CG1 3.83Å; I76-I81 HydrophobicContact CD1-CG2 4.12Å; I76-I81 HydrophobicContact CG1-CD1 4.17Å; I76-I81 HydrophobicContact CG1-CG1 4.08Å; I76-I81 HydrophobicContact CG1-CG2 4.24Å |
| 77 | C | 75.9 | Confident | 86.8 | Confident | 74 Ų | 74 | 68.9 Ų | 68.9 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 36.9 | 178.1 | -61.7 | 0 | 0 | 0 | 0 | 113.6 | A18 T21 R79 | A18-C77 HydrophobicContact CB-CB 3.56Å; T21-C77 PolarHBondContact OG1-SG 3.06Å; C77-R79 VanDerWaalsContact C-N 3.31Å; C77-R79 PolarHBondContact O-N 3.42Å |
| 78 | G | 81.5 | Confident | 85.7 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 63% | 0.629 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | I76 | I76-G78 PolarHBondContact O-N 3.41Å; I76-G78 VanDerWaalsContact O-N 3.1Å |
| 79 | R | 86.3 | Confident | 84.5 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.2 | 170.2 | -63.7 | -167.1 | -176.2 | 148.6 | 0.4 | 110.6 | V17 A18 D19 W75 I76 C77 | V17-R79 PolarHBondContact O-NH1 3.31Å; A18-R79 HydrophobicContact CB-CB 4.42Å; A18-R79 HydrophobicContact CB-CG 4.15Å; D19-R79 VanDerWaalsContact CG-NH1 3.27Å; D19-R79 IonicContact OD1-CZ 2.68Å; D19-R79 IonicContact OD1-NH1 3.72Å; D19-R79 PolarHBondContact OD1-NH1 3.23Å; D19-R79 IonicContact OD1-NH2 3.73Å; D19-R79 IonicContact OD2-CZ 3.81Å; D19-R79 IonicContact OD2-NH1 2.85Å; D19-R79 PolarHBondContact OD2-NH1 3.12Å; D19-R79 IonicContact OD2-NH2 3.59Å; D19-R79 PolarHBondContact OD2-NH2 3.38Å; W75-R79 WeakPolarHBondContact CA-O 3.5Å; I76-R79 PolarHBondContact N-O 2.85Å; I76-R79 PolarHBondContact O-N 2.8Å; C77-R79 VanDerWaalsContact C-N 3.31Å; C77-R79 PolarHBondContact O-N 3.42Å |
| 80 | Q | 89.7 | Confident | 83.4 | Confident | 77 Ų | 77 | 75.9 Ų | 75.9 | 36% | 0.36 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 117.4 | 173.4 | -177.2 | 170.2 | 55.1 | 0 | 0 | 109.3 | N16 R73 K74 | N16-Q80 WeakPolarHBondContact CB-O 3.48Å; N16-Q80 PolarHBondContact ND2-O 3.18Å; R73-Q80 HydrophobicContact CB-CG 4.14Å; R73-Q80 HydrophobicContact CG-CG 4.39Å; R73-Q80 WeakPolarHBondContact O-CG 3.1Å; R73-Q80 PolarHBondContact O-NE2 2.75Å; K74-Q80 WeakPolarHBondContact O-CA 3.43Å |
| 81 | I | 91.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -81.2 | 144.7 | 178.5 | 57.2 | 151.1 | 0 | 0 | 0 | 110.9 | V14 F30 L71 R73 K74 I76 I83 | V14-I81 HydrophobicContact CG1-CB 4.03Å; V14-I81 HydrophobicContact CG1-CD1 4.16Å; V14-I81 HydrophobicContact CG1-CG2 4.24Å; F30-I81 HydrophobicContact CZ-CD1 4.27Å; L71-I81 HydrophobicContact CB-CD1 4.43Å; R73-I81 WeakPolarHBondContact CA-O 3.46Å; R73-I81 PolarHBondContact N-O 3.14Å; K74-I81 HydrophobicContact CB-CG1 4.49Å; K74-I81 VanDerWaalsContact O-CG1 3.32Å; K74-I81 WeakPolarHBondContact O-CG1 3.48Å; K74-I81 PolarHBondContact O-N 2.86Å; I76-I81 HydrophobicContact CB-CG2 4.07Å; I76-I81 HydrophobicContact CD1-CD1 3.38Å; I76-I81 HydrophobicContact CD1-CG1 3.83Å; I76-I81 HydrophobicContact CD1-CG2 4.12Å; I76-I81 HydrophobicContact CG1-CD1 4.17Å; I76-I81 HydrophobicContact CG1-CG1 4.08Å; I76-I81 HydrophobicContact CG1-CG2 4.24Å; I81-I83 HydrophobicContact CD1-CD1 3.83Å; I81-I83 HydrophobicContact CD1-CG1 3.95Å | ||
| 82 | E | 92.1 | Very high | 81.3 | Confident | 79 Ų | 79 | 79.2 Ų | 79.2 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.5 | 170.4 | -67.4 | 178.6 | 174.4 | 0 | 0 | 108.1 | V14 R15 | V14-E82 CarbonylContact C-O 3.55Å; V14-E82 WeakPolarHBondContact CA-O 3.14Å; R15-E82 HydrophobicContact CB-CB 4.24Å; R15-E82 PolarHBondContact N-O 3.5Å; R15-E82 PolarHBondContact O-N 3.22Å |
| 83 | I | 91.9 | Very high | 80.2 | Confident | 6 Ų | 6 | 81 Ų | 81 | 3% | 0.031 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.4 | -179.4 | -53.9 | 172 | 0 | 0 | 0 | 108.5 | L12 V14 F30 L68 L71 D72 I81 | L12-I83 HydrophobicContact CB-CG2 3.98Å; L12-I83 HydrophobicContact CD1-CG2 3.89Å; L12-I83 HydrophobicContact CD2-CG2 4.32Å; L12-I83 HydrophobicContact CG-CG2 4.29Å; V14-I83 HydrophobicContact CG1-CG1 4.34Å; V14-I83 HydrophobicContact CG2-CG1 4.47Å; F30-I83 HydrophobicContact CE1-CD1 3.7Å; F30-I83 HydrophobicContact CZ-CD1 3.65Å; F30-I83 HydrophobicContact CZ-CG1 4.23Å; L68-I83 VanDerWaalsContact CD1-C 3.45Å; L68-I83 HydrophobicContact CD1-CB 3.76Å; L68-I83 HydrophobicContact CD1-CG2 3.53Å; L68-I83 WeakPolarHBondContact CD1-O 3.43Å; L71-I83 HydrophobicContact CB-CD1 3.29Å; L71-I83 HydrophobicContact CD1-CD1 4.46Å; D72-I83 PolarHBondContact OD1-N 2.88Å; I81-I83 HydrophobicContact CD1-CD1 3.83Å; I81-I83 HydrophobicContact CD1-CG1 3.95Å |
| 84 | Q | 90.6 | Very high | 79.2 | Confident | 83 Ų | 83 | 79.9 Ų | 79.9 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.5 | 175.2 | -65.2 | -176.2 | -6.1 | 0 | 0 | 109.8 | F13 A86 | F13-Q84 WeakPolarHBondContact CA-O 3.47Å; F13-Q84 HydrophobicContact CD1-CB 4.46Å; F13-Q84 PolarHBondContact N-O 3.49Å; F13-Q84 PolarHBondContact O-N 3.04Å; Q84-A86 PolarHBondContact O-N 3.23Å |
| 85 | F | 88.8 | Confident | 78.3 | Confident | 61 Ų | 61 | 81.7 Ų | 81.7 | 27% | 0.268 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 128.2 | 168.1 | -89.9 | -52.5 | 0 | 0 | 0 | 111.9 | N9 L12 E65 L68 Q87 | N9-F85 HydrophobicContact CB-CD1 4.43Å; N9-F85 VanDerWaalsContact CG-CD1 3.44Å; N9-F85 WeakPolarHBondContact ND2-CB 3.34Å; N9-F85 WeakPolarHBondContact ND2-CD1 3.41Å; N9-F85 VanDerWaalsContact ND2-CG 3.34Å; N9-F85 WeakPolarHBondContact ND2-CG 3.45Å; L12-F85 HydrophobicContact CD2-CD1 3.96Å; L12-F85 HydrophobicContact CD2-CE1 3.99Å; E65-F85 HydrophobicContact CG-CE1 4.49Å; E65-F85 HydrophobicContact CG-CZ 3.66Å; L68-F85 HydrophobicContact CD2-CD2 3.7Å; L68-F85 HydrophobicContact CD2-CE2 3.29Å; L68-F85 HydrophobicContact CD2-CG 4.48Å; L68-F85 HydrophobicContact CD2-CZ 3.77Å; F85-Q87 PolarHBondContact O-N 3.37Å; F85-Q87 VanDerWaalsContact O-N 3.15Å |
| 86 | A | 85 | Confident | 77.2 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | trans | -67 | 118.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S11 F13 Y55 Q84 G88 | S11-A86 WeakPolarHBondContact O-CB 3.36Å; S11-A86 PolarHBondContact O-N 3.2Å; F13-A86 HydrophobicContact CB-CB 4.4Å; Y55-A86 HydrophobicContact CD1-CB 4.36Å; Y55-A86 HydrophobicContact CE1-CB 4.45Å; Q84-A86 PolarHBondContact O-N 3.23Å; A86-G88 PolarHBondContact O-N 3.42Å | ||
| 87 | Q | 75.4 | Confident | 76.3 | Confident | 174 Ų | 174 | 81.3 Ų | 81.3 | 81% | 0.813 | 42% | 0.419 | S | S | * | . | trans | -83.8 | 6.8 | 179.2 | -63.8 | -177.5 | -13.6 | 0 | 0 | 113 | R6 F85 | R6-Q87 PolarHBondContact NH1-O 3.35Å; R6-Q87 PolarHBondContact NH2-O 2.99Å; F85-Q87 PolarHBondContact O-N 3.37Å; F85-Q87 VanDerWaalsContact O-N 3.15Å | ||
| 88 | G | 69.1 | Low | 75.6 | Confident | 33 Ų | 33 | 81 Ų | 81 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -151.6 | 146.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R6 A86 | R6-G88 VanDerWaalsContact NH2-C 3.3Å; A86-G88 PolarHBondContact O-N 3.42Å |
| 89 | D | 64.3 | Low | 74.6 | Confident | 128 Ų | 128 | 85.2 Ų | 85.2 | 68% | 0.684 | 42% | 0.423 | S | S | * | . | trans | -73.1 | 156.4 | 171.5 | -47.4 | -30.1 | 0 | 0 | 0 | 108.9 | R6 K91 | R6-D89 IonicContact CZ-OD1 3.83Å; R6-D89 IonicContact NE-OD1 3.89Å; R6-D89 IonicContact NH2-OD1 2.9Å; R6-D89 PolarHBondContact NH2-OD1 2.8Å; D89-K91 PolarHBondContact O-N 3.21Å | ||
| 90 | R | 66 | Low | 73.2 | Confident | 151 Ų | 151 | 84.2 Ų | 84.2 | 57% | 0.57 | 42% | 0.422 | S | S | * | . | trans | -50.1 | 111 | -178.4 | 178.6 | 176.4 | 170.8 | 168.9 | -5.3 | 110.5 | D38 Y40 T92 | D38-R90 IonicContact OD2-CZ 2.8Å; D38-R90 IonicContact OD2-NH1 3.28Å; D38-R90 PolarHBondContact OD2-NH1 3.12Å; Y40-R90 HydrophobicContact CD1-CG 4.4Å; R90-T92 PolarHBondContact O-N 3.48Å | ||
| 91 | K | 67.6 | Low | 71.5 | Confident | 107 Ų | 107 | 83.1 Ų | 83.1 | 47% | 0.465 | 43% | 0.431 | S | S | . | . | trans | -77.2 | 126.2 | 172.5 | -66.4 | -177.4 | -177.9 | 178.6 | 0 | 108.4 | D89 Q95 M96 | D89-K91 PolarHBondContact O-N 3.21Å; K91-Q95 HydrophobicContact CB-CB 4.22Å; K91-M96 HydrophobicContact CB-CG 4.01Å | ||
| 92 | T | 66 | Low | 69.6 | Low | 63 Ų | 63 | 91.8 Ų | 91.8 | 39% | 0.387 | 46% | 0.464 | S | S | . | . | trans | -64.2 | 153.1 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 109.6 | R90 N94 Q95 M96 | R90-T92 PolarHBondContact O-N 3.48Å; T92-N94 PolarHBondContact O-N 3.2Å; T92-Q95 WeakPolarHBondContact O-CA 2.94Å; T92-Q95 WeakPolarHBondContact O-CB 3.44Å; T92-Q95 PolarHBondContact O-N 3.11Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.38Å; T92-M96 PolarHBondContact O-N 3.07Å; T92-M96 VanDerWaalsContact O-N 3.11Å | ||
| 93 | P | 65.1 | Low | 67.7 | Low | 84 Ų | 84 | 94.5 Ų | 94.5 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -53.8 | -33.1 | 179 | 19.9 | -33.2 | 0 | 0 | 0 | 112.5 | Q95 M96 K97 | P93-Q95 PolarHBondContact O-N 3.23Å; P93-M96 PolarHBondContact O-N 2.83Å; P93-K97 PolarHBondContact O-N 2.68Å; P93-K97 VanDerWaalsContact O-N 3.14Å |
| 94 | N | 64 | Low | 65.8 | Low | 136 Ų | 136 | 100.4 Ų | 100.4 | 73% | 0.727 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -36.4 | 174.1 | -74 | -13.2 | 0 | 0 | 0 | 113.3 | T92 | T92-N94 PolarHBondContact O-N 3.2Å |
| 95 | Q | 67.3 | Low | 63.8 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.9 | -30.2 | 175.1 | -68 | 172.1 | 17.5 | 0 | 0 | 112.1 | K91 T92 P93 | K91-Q95 HydrophobicContact CB-CB 4.22Å; T92-Q95 WeakPolarHBondContact O-CA 2.94Å; T92-Q95 WeakPolarHBondContact O-CB 3.44Å; T92-Q95 PolarHBondContact O-N 3.11Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.38Å; P93-Q95 PolarHBondContact O-N 3.23Å |
| 96 | M | 62.7 | Low | 61.9 | Low | 33 Ų | 33 | 104.2 Ų | 104.2 | 16% | 0.163 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 175.9 | -66.2 | -177.9 | 65.3 | 0 | 0 | 112.1 | P42 F53 K91 T92 P93 A98 K99 E100 | P42-M96 HydrophobicContact CB-CE 3.89Å; P42-M96 HydrophobicContact CB-SD 4.29Å; P42-M96 HydrophobicContact CG-CE 4.39Å; P42-M96 HydrophobicContact CG-SD 4.49Å; F53-M96 HydrophobicContact CE2-CE 4.42Å; F53-M96 HydrophobicContact CZ-CE 3.99Å; K91-M96 HydrophobicContact CB-CG 4.01Å; T92-M96 PolarHBondContact O-N 3.07Å; T92-M96 VanDerWaalsContact O-N 3.11Å; P93-M96 PolarHBondContact O-N 2.83Å; M96-A98 PolarHBondContact O-N 3.46Å; M96-K99 PolarHBondContact O-N 3.04Å; M96-E100 PolarHBondContact O-N 2.63Å |
| 97 | K | 62.1 | Low | 60.3 | Low | 152 Ų | 152 | 109 Ų | 109 | 66% | 0.661 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -53.7 | -38.9 | 178.1 | -172.7 | 176.4 | -179.6 | 177.6 | 0 | 113.2 | P93 K99 E100 G101 | P93-K97 PolarHBondContact O-N 2.68Å; P93-K97 VanDerWaalsContact O-N 3.14Å; K97-K99 VanDerWaalsContact C-N 3.26Å; K97-K99 PolarHBondContact O-N 2.84Å; K97-E100 PolarHBondContact O-N 3.39Å; K97-G101 PolarHBondContact O-N 3.14Å; K97-G101 VanDerWaalsContact O-N 3.11Å |
| 98 | A | 60.6 | Low | 59 | Low | 67 Ų | 67 | 105.2 Ų | 105.2 | 55% | 0.554 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.6 | -23.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M96 | M96-A98 PolarHBondContact O-N 3.46Å |
| 99 | K | 60.3 | Low | 58 | Low | 149 Ų | 149 | 110.1 Ų | 110.1 | 65% | 0.648 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -87.1 | -37.3 | 178.6 | -159.2 | -179.8 | -177.9 | -165.9 | 0 | 111.5 | M96 K97 R102 | M96-K99 PolarHBondContact O-N 3.04Å; K97-K99 VanDerWaalsContact C-N 3.26Å; K97-K99 PolarHBondContact O-N 2.84Å; K99-R102 PolarHBondContact O-N 2.82Å |
| 100 | E | 57.8 | Low | 57.2 | Low | 68 Ų | 68 | 113.6 Ų | 113.6 | 32% | 0.318 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.7 | -38.2 | -178.8 | -160.2 | 145.6 | -127.5 | 0 | 0 | 112 | R51 M96 K97 R102 | R51-E100 IonicContact CZ-OE1 3.04Å; R51-E100 IonicContact CZ-OE2 3.69Å; R51-E100 VanDerWaalsContact NH1-CD 3.3Å; R51-E100 IonicContact NH1-OE1 3.86Å; R51-E100 PolarHBondContact NH1-OE1 3.03Å; R51-E100 IonicContact NH1-OE2 2.84Å; R51-E100 PolarHBondContact NH1-OE2 3.11Å; R51-E100 IonicContact NH2-OE1 3.06Å; R51-E100 PolarHBondContact NH2-OE1 3.31Å; R51-E100 IonicContact NH2-OE2 3.41Å; M96-E100 PolarHBondContact O-N 2.63Å; K97-E100 PolarHBondContact O-N 3.39Å; E100-R102 PolarHBondContact O-N 3.39Å |
| 101 | G | 52.5 | Low | 56.3 | Low | 53 Ų | 53 | 112.7 Ų | 112.7 | 55% | 0.546 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70 | -17 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K97 | K97-G101 PolarHBondContact O-N 3.14Å; K97-G101 VanDerWaalsContact O-N 3.11Å |
| 102 | R | 53.3 | Low | 55.4 | Low | 183 Ų | 183 | 112.8 Ų | 112.8 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -82.6 | -20.7 | -176.6 | -139.2 | -162.1 | -79.8 | -169.6 | -5 | 113.2 | K99 E100 S106 | K99-R102 PolarHBondContact O-N 2.82Å; E100-R102 PolarHBondContact O-N 3.39Å; R102-S106 WeakPolarHBondContact O-CB 3.37Å |
| 103 | N | 51.7 | Low | 54.4 | Low | 135 Ų | 135 | 117.8 Ų | 117.8 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -91.8 | -23.1 | -174.6 | -113.8 | -35.5 | 0 | 0 | 0 | 114.5 | ||
| 104 | V | 50.9 | Low | 53.7 | Low | 131 Ų | 131 | 119.3 Ų | 119.3 | 79% | 0.794 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -11.9 | -175.5 | -174.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 105 | Y | 48.7 | Very low | 53 | Low | 141 Ų | 141 | 122 Ų | 122 | 55% | 0.553 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | -10.6 | -174.2 | -148.8 | -93.1 | 0 | 0 | 0 | 115.3 | R109 | Y105-R109 VanDerWaalsContact CZ-CZ 3.4Å; Y105-R109 PolarHBondContact OH-NH1 3.01Å |
| 106 | S | 50.5 | Low | 51.9 | Low | 83 Ų | 83 | 124.6 Ų | 124.6 | 58% | 0.58 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -91.7 | -12.7 | -174.9 | -162.3 | 0 | 0 | 0 | 0 | 114.7 | R102 | R102-S106 WeakPolarHBondContact O-CB 3.37Š|
| 107 | S | 50.7 | Low | 51.3 | Low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -102.2 | -0.1 | -175.1 | -166.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 108 | S | 47.8 | Very low | 50.6 | Low | 96 Ų | 96 | 135.9 Ų | 135.9 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -138.4 | 3.5 | -174.3 | 111 | 0 | 0 | 0 | 0 | 116.3 | ||
| 109 | R | 48.3 | Very low | 49.7 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 51% | 0.509 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -121.2 | 3.6 | -173.8 | -78.5 | -177.5 | -162.3 | -146.5 | 3.7 | 116.7 | Y105 | Y105-R109 VanDerWaalsContact CZ-CZ 3.4Å; Y105-R109 PolarHBondContact OH-NH1 3.01Å |
| 110 | Y | 46.6 | Very low | 48.9 | Very low | 202 Ų | 202 | 139 Ų | 139 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -132.2 | 9.2 | 175.9 | -97.1 | -87.9 | 0 | 0 | 0 | 115.3 | ||
| 111 | D | 48.7 | Very low | 48.2 | Very low | 132 Ų | 132 | 141 Ų | 141 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -103 | -0.8 | 176.6 | -105.9 | -76.2 | 0 | 0 | 0 | 114.3 | ||
| 112 | D | 48.3 | Very low | 47.7 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -90.8 | -30.6 | -177.6 | -162.9 | -109.8 | 0 | 0 | 0 | 113.4 | D114 R115 | D112-D114 PolarHBondContact O-N 3.04Å; D112-R115 PolarHBondContact O-N 3.43Å |
| 113 | Y | 44.6 | Very low | 46.8 | Very low | 167 Ų | 167 | 145 Ų | 145 | 66% | 0.655 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -76.4 | -21.6 | -178.1 | -56.7 | -72.2 | 0 | 0 | 0 | 113.8 | ||
| 114 | D | 51.1 | Low | 46.1 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 63% | 0.626 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -85.6 | -18.8 | 174.8 | -81.4 | -69.6 | 0 | 0 | 0 | 113.1 | D112 | D112-D114 PolarHBondContact O-N 3.04Å |
| 115 | R | 48.2 | Very low | 45.4 | Very low | 193 Ų | 193 | 150.3 Ų | 150.3 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -82.3 | -29.2 | 178.2 | -135.3 | 177.3 | -144.8 | 164.5 | 7 | 113 | D112 R118 S119 | D112-R115 PolarHBondContact O-N 3.43Å; R115-R118 PolarHBondContact O-N 3.49Å; R115-S119 PolarHBondContact O-OG 3.01Å |
| 116 | Y | 45.3 | Very low | 44.9 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 66% | 0.655 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -79.2 | -22.4 | 177.2 | -141.3 | -103.2 | 0 | 0 | 0 | 113.2 | R120 | Y116-R120 PolarHBondContact OH-NH1 3.37Å; Y116-R120 VanDerWaalsContact OH-NH1 3.13Å |
| 117 | R | 49.9 | Very low | 44.4 | Very low | 222 Ų | 222 | 162.9 Ų | 162.9 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -81.5 | -19.6 | 170.1 | -92.8 | -166 | 177.6 | -136.2 | 1.4 | 114.3 | ||
| 118 | R | 46.8 | Very low | 43.7 | Very low | 200 Ų | 200 | 170 Ų | 170 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -93.4 | 2.5 | -177.8 | -118.7 | 171.1 | -178.5 | 172.9 | 0.2 | 115.5 | R115 | R115-R118 PolarHBondContact O-N 3.49Š|
| 119 | S | 42.4 | Very low | 43.3 | Very low | 92 Ų | 92 | 170.2 Ų | 170.2 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -122.3 | 3.8 | -173.6 | -47.1 | 0 | 0 | 0 | 0 | 114.5 | R115 | R115-S119 PolarHBondContact O-OG 3.01Š|
| 120 | R | 43.5 | Very low | 42.8 | Very low | 188 Ų | 188 | 175.4 Ų | 175.4 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -114.7 | 16.8 | -178 | -122.2 | 175.9 | -177.7 | 120.6 | -3.2 | 115.4 | Y116 | Y116-R120 PolarHBondContact OH-NH1 3.37Å; Y116-R120 VanDerWaalsContact OH-NH1 3.13Å |
| 121 | S | 41.8 | Very low | 42.5 | Very low | 110 Ų | 110 | 171.1 Ų | 171.1 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -138.8 | 31.1 | 176.7 | -46.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 122 | R | 41.9 | Very low | 42.1 | Very low | 205 Ų | 205 | 176 Ų | 176 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | trans | -131.3 | 73.6 | 175.6 | -78.5 | -177.7 | 171.5 | 137.5 | -7.9 | 110.4 | ||||
| 123 | S | 34.6 | Very low | 41.5 | Very low | 116 Ų | 116 | 175 Ų | 175 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 171.4 | 72.9 | 157.6 | 38.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 124 | Y | 37.7 | Very low | 41.2 | Very low | 207 Ų | 207 | 176.6 Ų | 176.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -167.2 | 147.7 | 131.3 | 62.2 | -80.1 | 0 | 0 | 0 | 105.2 | ||
| 125 | E | 36.2 | Very low | 40.7 | Very low | 170 Ų | 170 | 177 Ų | 177 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 81.8 | 54.7 | -173.3 | -46.4 | -168.4 | 158.3 | 0 | 0 | 117.6 | ||
| 126 | R | 37.9 | Very low | 40.4 | Very low | 244 Ų | 244 | 179.1 Ų | 179.1 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -170.3 | 78.6 | 142.1 | -114.8 | 176.4 | -169.2 | -166.1 | 3.2 | 112.1 | ||||
| 127 | R | 39.7 | Very low | 40.2 | Very low | 245 Ų | 245 | 177.6 Ų | 177.6 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -140.6 | 85.7 | 145.2 | -75.6 | -152.5 | -174.9 | -141.2 | 4.1 | 110.1 | S129 | R127-S129 PolarHBondContact O-N 3.44Š| ||
| 128 | R | 35.8 | Very low | 39.5 | Very low | 253 Ų | 253 | 176.3 Ų | 176.3 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | trans | -80.8 | 89.2 | 159.7 | -167 | 179.3 | -162.7 | 165.7 | 4 | 106.9 | ||||
| 129 | S | 41.1 | Very low | 39.4 | Very low | 100 Ų | 100 | 176.2 Ų | 176.2 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -163.1 | 95.3 | 166.5 | -49.2 | 0 | 0 | 0 | 0 | 107.7 | R127 | R127-S129 PolarHBondContact O-N 3.44Š| ||
| 130 | R | 36.4 | Very low | 39.2 | Very low | 245 Ų | 245 | 183.5 Ų | 183.5 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | 45.8 | 105.5 | 108.1 | -80.9 | -177 | 170.8 | 131.2 | -2.9 | 114 | |||||
| 131 | S | 41.6 | Very low | 39.1 | Very low | 111 Ų | 111 | 179.8 Ų | 179.8 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | 169.2 | 104.9 | 131.3 | -71.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 132 | R | 39.1 | Very low | 39.2 | Very low | 236 Ų | 236 | 185.6 Ų | 185.6 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | 75.6 | 109.5 | 97.1 | -86.2 | -177.3 | 173.6 | 146 | -3.2 | 114 | |||||
| 133 | S | 36.3 | Very low | 39.4 | Very low | 88 Ų | 88 | 179.8 Ų | 179.8 | 62% | 0.615 | 81% | 0.81 | S | S | * | * | trans | 54.6 | 119.7 | 142.6 | 58 | 0 | 0 | 0 | 0 | 119 | ||||
| 134 | F | 38.5 | Very low | 40.1 | Very low | 199 Ų | 199 | 179.6 Ų | 179.6 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | -172.2 | 120.7 | 105.9 | -99.2 | -74.5 | 0 | 0 | 0 | 110 | |||||
| 135 | D | 41.2 | Very low | 40.5 | Very low | 126 Ų | 126 | 180.5 Ų | 180.5 | 67% | 0.674 | 81% | 0.809 | S | S | * | * | trans | -51.9 | 146.9 | 168.6 | -69.4 | -100.9 | 0 | 0 | 0 | 113.6 | ||||
| 136 | Y | 41.1 | Very low | 40.9 | Very low | 237 Ų | 237 | 179.1 Ų | 179.1 | 93% | 0.929 | 81% | 0.806 | S | S | * | * | -158.5 | 111.6 | 129.5 | -122.5 | -86.4 | 0 | 0 | 0 | 110.5 | |||||
| 137 | N | 41.1 | Very low | 41.2 | Very low | 136 Ų | 136 | 173 Ų | 173 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -76.4 | 140.1 | 170.8 | -75.7 | -79.7 | 0 | 0 | 0 | 110.5 | ||||
| 138 | Y | 36.1 | Very low | 41.5 | Very low | 194 Ų | 194 | 172.7 Ų | 172.7 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -151.5 | 100.3 | 151.3 | -164.5 | -102.1 | 0 | 0 | 0 | 112.5 | ||||
| 139 | R | 43.8 | Very low | 42.4 | Very low | 198 Ų | 198 | 165.8 Ų | 165.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | 49.6 | 122.2 | 142 | -54.7 | -171.2 | -174 | -138.6 | -1.7 | 118.5 | ||||
| 140 | R | 37.2 | Very low | 42.9 | Very low | 246 Ų | 246 | 168.1 Ų | 168.1 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | cis | 65 | 94.7 | 33.4 | -147.5 | 175.3 | -158.8 | -158.2 | 4.6 | 116.6 | ||||
| 141 | S | 42.5 | Very low | 43.2 | Very low | 110 Ų | 110 | 160.4 Ų | 160.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | 179.9 | 114.4 | 143.8 | 35.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 142 | Y | 43.8 | Very low | 43.6 | Very low | 231 Ų | 231 | 166.6 Ų | 166.6 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | 73 | 130.7 | 100.3 | -134 | -105.7 | 0 | 0 | 0 | 112.3 | |||||
| 143 | S | 45.8 | Very low | 44.3 | Very low | 83 Ų | 83 | 159.8 Ų | 159.8 | 58% | 0.58 | 79% | 0.788 | S | S | * | * | cis | -171.1 | 170 | 7.6 | -106.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 144 | P | 50.1 | Low | 44.7 | Very low | 112 Ų | 112 | 166.8 Ų | 166.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -104.6 | 157.7 | -167 | 38.2 | -31 | 0 | 0 | 0 | 115.5 | ||||
| 145 | R | 44.9 | Very low | 44.7 | Very low | 227 Ų | 227 | 169.5 Ų | 169.5 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | 166.9 | 142.5 | 141.9 | -99.6 | 170 | -173.8 | -116.3 | 1.3 | 114.5 | ||||
| 146 | N | 45 | Very low | 44.9 | Very low | 140 Ų | 140 | 167.7 Ų | 167.7 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | 55.2 | 134.2 | 143.2 | -83.9 | -4.3 | 0 | 0 | 0 | 119.5 | ||||
| 147 | S | 45.3 | Very low | 45 | Very low | 115 Ų | 115 | 167.8 Ų | 167.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | cis | -165.3 | 150.3 | 32.4 | -39.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 148 | R | 45.2 | Very low | 45.1 | Very low | 239 Ų | 239 | 166.9 Ų | 166.9 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -75.1 | -165 | 170.6 | -68.9 | 177.2 | 166.3 | 168 | -3.5 | 112 | ||||
| 149 | P | 53.9 | Low | 45.5 | Very low | 108 Ų | 108 | 166.3 Ų | 166.3 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | -130.6 | -179.2 | -66.3 | 37.6 | -21.1 | 0 | 0 | 0 | 111.9 | |||||
| 150 | T | 51.4 | Low | 45.9 | Very low | 149 Ų | 149 | 162.5 Ų | 162.5 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | 173.2 | 139.5 | 137.4 | 45.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 151 | G | 44.2 | Very low | 46.4 | Very low | 84 Ų | 84 | 156.6 Ų | 156.6 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 126.9 | 94.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 152 | R | 49.7 | Very low | 46.5 | Very low | 241 Ų | 241 | 159 Ų | 159 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -109.2 | -171.7 | 174.1 | -110.4 | -167.7 | -174.9 | -147.6 | 2.6 | 107.9 | ||||
| 153 | P | 52.4 | Low | 46.6 | Very low | 93 Ų | 93 | 154.6 Ų | 154.6 | 60% | 0.604 | 80% | 0.797 | S | S | * | * | cis | -142.2 | -169.3 | -41 | 34.1 | -12 | 0 | 0 | 0 | 114.4 | ||||
| 154 | R | 46.2 | Very low | 46.3 | Very low | 235 Ų | 235 | 160.1 Ų | 160.1 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | 100.1 | 110.8 | 148 | -46.1 | -156.1 | 179.6 | -164.9 | -1 | 119.7 | ||||
| 155 | R | 38.2 | Very low | 46.3 | Very low | 255 Ų | 255 | 161.9 Ų | 161.9 | 96% | 0.962 | 80% | 0.801 | S | S | * | * | -162.3 | 148.1 | 116.8 | -130.9 | 169.1 | -178.9 | 163.9 | -1 | 111.4 | |||||
| 156 | S | 44.7 | Very low | 46.3 | Very low | 89 Ų | 89 | 159.2 Ų | 159.2 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | trans | -120.1 | 164.9 | -157 | 44.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 157 | R | 43.7 | Very low | 46.2 | Very low | 238 Ų | 238 | 160.7 Ų | 160.7 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | 94.3 | 127.4 | 164.4 | -55.8 | 166.3 | 178.3 | 151.2 | -1.8 | 113.2 | ||||
| 158 | S | 43.7 | Very low | 45.9 | Very low | 118 Ų | 118 | 167 Ų | 167 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | cis | -160.7 | 136.6 | 28.6 | 34.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 159 | H | 44.5 | Very low | 45.7 | Very low | 181 Ų | 181 | 162.1 Ų | 162.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -97.3 | 145.4 | 160.6 | -88.6 | 32.8 | 0 | 0 | 0 | 108.7 | ||||
| 160 | S | 51.3 | Low | 44.9 | Very low | 119 Ų | 119 | 168.1 Ų | 168.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -130.8 | 106 | 156.7 | 60.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 161 | D | 47.5 | Very low | 44.2 | Very low | 121 Ų | 121 | 166.4 Ų | 166.4 | 65% | 0.647 | 80% | 0.798 | S | S | * | * | trans | -57.2 | 142.5 | 167.1 | -63.2 | -90.1 | 0 | 0 | 0 | 112.7 | ||||
| 162 | N | 45.2 | Very low | 44.1 | Very low | 161 Ų | 161 | 171.6 Ų | 171.6 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -157.1 | 70.7 | 137.3 | -109.9 | -41.8 | 0 | 0 | 0 | 109.8 | ||||
| 163 | D | 44.8 | Very low | 43.9 | Very low | 139 Ų | 139 | 163.5 Ų | 163.5 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -60.4 | 125.4 | 138.9 | -84 | -59.8 | 0 | 0 | 0 | 107.8 | ||||
| 164 | R | 41 | Very low | 43.3 | Very low | 199 Ų | 199 | 170.1 Ų | 170.1 | 75% | 0.751 | 79% | 0.791 | S | S | * | * | trans | 179.6 | 125.6 | 135.3 | -105.9 | 162.5 | 178.2 | 177.1 | 3 | 115.6 | ||||
| 165 | F | 49.3 | Very low | 43.1 | Very low | 148 Ų | 148 | 164 Ų | 164 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | 80.1 | 139.3 | 148.4 | -52.8 | -47.6 | 0 | 0 | 0 | 117 | ||||
| 166 | K | 45.4 | Very low | 43.2 | Very low | 171 Ų | 171 | 160.8 Ų | 160.8 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | -168.9 | 140.6 | -5 | -116.3 | 159.2 | -177.1 | 166.8 | 0 | 105.3 | ||||
| 167 | H | 42.4 | Very low | 43.1 | Very low | 171 Ų | 171 | 162.4 Ų | 162.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -43.3 | 140.9 | 163.3 | -72.4 | -95.6 | 0 | 0 | 0 | 113.3 | ||||
| 168 | R | 38.4 | Very low | 42.9 | Very low | 248 Ų | 248 | 157.2 Ų | 157.2 | 94% | 0.936 | 78% | 0.778 | S | S | * | * | -162.3 | 101.3 | 127.3 | -119.3 | 173.1 | 178.4 | -160.9 | -1.2 | 112.8 | |||||
| 169 | N | 41.2 | Very low | 42.7 | Very low | 136 Ų | 136 | 156 Ų | 156 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -52.8 | 136.5 | 148 | -67 | -52.3 | 0 | 0 | 0 | 109.5 | ||||
| 170 | R | 36.5 | Very low | 42.3 | Very low | 235 Ų | 235 | 158.1 Ų | 158.1 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | 157.3 | 111.4 | 127.5 | -90.9 | 173.3 | 172.1 | 143.4 | -2.3 | 112.1 | |||||
| 171 | S | 37.9 | Very low | 41.7 | Very low | 112 Ų | 112 | 157.2 Ų | 157.2 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 46.7 | 107.5 | 134.5 | 54.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 172 | F | 41.7 | Very low | 41.2 | Very low | 193 Ų | 193 | 163 Ų | 163 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -137.7 | 106.5 | 138.2 | -166.9 | -47.8 | 0 | 0 | 0 | 109.2 | ||||
| 173 | S | 45.4 | Very low | 41.2 | Very low | 71 Ų | 71 | 161 Ų | 161 | 50% | 0.497 | 78% | 0.775 | S | S | . | * | trans | 16.2 | 128.3 | 137.1 | 8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 174 | R | 40.4 | Very low | 41.2 | Very low | 233 Ų | 233 | 163.9 Ų | 163.9 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | 64.4 | 109 | 121.2 | -63.4 | 176.7 | 171.9 | 164.3 | -2.7 | 118.4 | |||||
| 175 | S | 40.8 | Very low | 41.5 | Very low | 106 Ų | 106 | 160 Ų | 160 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | 91.3 | 136.4 | 121.8 | 64.2 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 176 | K | 41.4 | Very low | 41.8 | Very low | 187 Ų | 187 | 161.7 Ų | 161.7 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 88.9 | 106.1 | 155.6 | -74.4 | 169 | 170.4 | 169.8 | 0 | 119.5 | ||||
| 177 | S | 42.3 | Very low | 42 | Very low | 123 Ų | 123 | 159.3 Ų | 159.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | -148.6 | 81 | 124.5 | 49 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 178 | N | 40.8 | Very low | 42.1 | Very low | 130 Ų | 130 | 161 Ų | 161 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | 69.5 | 94.3 | 79.1 | -151.7 | 35.3 | 0 | 0 | 0 | 113.1 | |||||
| 179 | S | 37.5 | Very low | 43 | Very low | 91 Ų | 91 | 158.7 Ų | 158.7 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -41.4 | 146.2 | 142 | 47.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 180 | R | 37 | Very low | 43.1 | Very low | 226 Ų | 226 | 161.3 Ų | 161.3 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 111.2 | 113.4 | 160.3 | -66.8 | 176.2 | 166.9 | 157.3 | -3.5 | 116.4 | ||||
| 181 | S | 39 | Very low | 44.2 | Very low | 100 Ų | 100 | 158.5 Ų | 158.5 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | 101 | 129.6 | 121.3 | 72.1 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 182 | R | 36.5 | Very low | 44.5 | Very low | 243 Ų | 243 | 163.1 Ų | 163.1 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | 73.8 | 91.1 | 142.2 | -73 | 168.5 | 172.1 | 165 | -3.4 | 117.9 | ||||
| 183 | S | 45.7 | Very low | 45 | Very low | 118 Ų | 118 | 157.8 Ų | 157.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -100.4 | 99.5 | 144.9 | 44.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 184 | K | 44.9 | Very low | 45 | Very low | 200 Ų | 200 | 164 Ų | 164 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | 62.1 | 86.6 | 143 | -68.3 | 175.1 | 175.6 | 174.7 | 0 | 119.2 | ||||
| 185 | S | 47.6 | Very low | 45.6 | Very low | 118 Ų | 118 | 157 Ų | 157 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 130.2 | 144.4 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | ||
| 186 | Q | 56.2 | Low | 45.8 | Very low | 184 Ų | 184 | 163.3 Ų | 163.3 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 141.6 | 170.8 | -71.3 | -155.5 | -29.8 | 0 | 0 | 111.6 | ||
| 187 | P | 48.9 | Very low | 46.3 | Very low | 120 Ų | 120 | 158.8 Ų | 158.8 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 137.5 | 174.2 | 31.1 | -30.9 | 0 | 0 | 0 | 111.1 | ||
| 188 | K | 44.9 | Very low | 46.6 | Very low | 208 Ų | 208 | 163.6 Ų | 163.6 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 131.3 | 171.2 | -66.7 | 179.3 | 175 | -178.5 | 0 | 109.8 | ||
| 189 | K | 56.8 | Low | 47 | Very low | 198 Ų | 198 | 162.8 Ų | 162.8 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -82.6 | 110 | 164.8 | -84.5 | -178.7 | 174.3 | 179.5 | 0 | 108.9 | ||||
| 190 | E | 43.5 | Very low | 47.5 | Very low | 191 Ų | 191 | 162.9 Ų | 162.9 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 134.5 | 156.9 | -92.7 | 178.3 | 133.8 | 0 | 0 | 109.6 | ||||
| 191 | M | 58.2 | Low | 48 | Very low | 177 Ų | 177 | 157 Ų | 157 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -131 | 115 | 156.9 | -75.8 | -165.8 | 167.3 | 0 | 0 | 109.5 | ||||
| 192 | K | 46.2 | Very low | 48.6 | Very low | 209 Ų | 209 | 160.5 Ų | 160.5 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -28 | 155.3 | 149.4 | -104.3 | 173.4 | 166.6 | 175.6 | 0 | 113.2 | ||||
| 193 | A | 50.4 | Low | 49.2 | Very low | 80 Ų | 80 | 153.3 Ų | 153.3 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | cis | -165.8 | 152.8 | 14.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 194 | K | 47.3 | Very low | 49.4 | Very low | 201 Ų | 201 | 156.5 Ų | 156.5 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | 150.5 | 151.5 | 101.7 | -97.2 | 169.2 | 175.8 | 173.9 | 0 | 104.9 | |||||
| 195 | S | 51.7 | Low | 49.7 | Very low | 88 Ų | 88 | 152.5 Ų | 152.5 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | cis | 178.9 | 154.5 | -19.7 | 47.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 196 | R | 46 | Very low | 49.6 | Very low | 238 Ų | 238 | 158.6 Ų | 158.6 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | 88.2 | 140.2 | 163.1 | -56.9 | 172.4 | 169.4 | 169.4 | -4.2 | 117.2 | ||||
| 197 | S | 51.5 | Low | 49.3 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | cis | 176 | 150.7 | -46 | 49.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 198 | R | 47.8 | Very low | 49.6 | Very low | 224 Ų | 224 | 153.9 Ų | 153.9 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 90.6 | 103.8 | 159.5 | -59.6 | 172.9 | 177.7 | 173 | -2.6 | 116.1 | ||||
| 199 | S | 50 | Low | 49.9 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | 68.4 | 136.5 | 75.3 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 200 | A | 48.7 | Very low | 49.6 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | cis | -161.5 | 170.8 | 24.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 201 | S | 46.8 | Very low | 50 | Low | 103 Ų | 103 | 145.1 Ų | 145.1 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -49.2 | 156 | 174.5 | 55.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 202 | H | 51.7 | Low | 49.4 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | -175.8 | 166.5 | 104.3 | -137.6 | 56.1 | 0 | 0 | 0 | 113.3 | |||||
| 203 | T | 48.7 | Very low | 49.8 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 56% | 0.564 | 76% | 0.763 | S | S | * | * | trans | -93.9 | 174.7 | -156.3 | 50.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 204 | K | 49.8 | Very low | 49.6 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 95.1 | 150.9 | 153.2 | -60.8 | 175.9 | -178.4 | 179 | 0 | 116.6 | ||||
| 205 | T | 51.3 | Low | 49.9 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | cis | -173.5 | 163.5 | -28.1 | 37.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 206 | R | 46 | Very low | 49.7 | Very low | 245 Ų | 245 | 143.1 Ų | 143.1 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | 79.1 | 120.8 | 163.6 | -65.6 | 172.4 | 132.2 | 170.9 | -5.5 | 115.7 | ||||
| 207 | G | 48.7 | Very low | 50 | Low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | 101.5 | 125.9 | 63.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 208 | T | 55.2 | Low | 50 | Low | 136 Ų | 136 | 146.1 Ų | 146.1 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | -173.1 | 143.2 | 55.1 | 42.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 209 | S | 52.6 | Low | 50.3 | Low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 53.5 | 142.8 | 134.6 | 73.7 | 0 | 0 | 0 | 0 | 126 | ||||
| 210 | K | 49.6 | Very low | 49.8 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 101.4 | 97.9 | 151.6 | -65.6 | -178.3 | 178.4 | 179.1 | 0 | 116.3 | ||||
| 211 | T | 52.4 | Low | 50.1 | Low | 130 Ų | 130 | 139 Ų | 139 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | 72 | 108.1 | 79.5 | 60.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 212 | D | 45.4 | Very low | 49.9 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | 60.6 | 114.5 | 132.1 | -131.5 | -29.2 | 0 | 0 | 0 | 120.4 | ||||
| 213 | S | 53.8 | Low | 49.7 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | 177.1 | 107.7 | 127.1 | 31.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 214 | K | 47 | Very low | 49.7 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | trans | 2.2 | 121.2 | 137.1 | -154.1 | 172.8 | -167.8 | 173 | 0 | 117.9 | ||||
| 215 | T | 54.3 | Low | 50 | Low | 100 Ų | 100 | 150.9 Ų | 150.9 | 61% | 0.613 | 78% | 0.782 | S | S | * | * | trans | -138.9 | 128.1 | 153.4 | 46.1 | 0 | 0 | 0 | 0 | 112.2 | Y217 | T215-Y217 WeakPolarHBondContact CB-OH 3.18Å; T215-Y217 PolarHBondContact OG1-OH 3.13Å | ||
| 216 | H | 47.8 | Very low | 50 | Low | 167 Ų | 167 | 153.2 Ų | 153.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -83.9 | 134 | 173.8 | -115.3 | -98.7 | 0 | 0 | 0 | 109.4 | ||||
| 217 | Y | 52.3 | Low | 49.8 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -136.6 | 128.9 | 157.4 | -27.7 | -74.6 | 0 | 0 | 0 | 111.1 | T215 | T215-Y217 WeakPolarHBondContact CB-OH 3.18Å; T215-Y217 PolarHBondContact OG1-OH 3.13Å | ||
| 218 | K | 50.4 | Low | 50 | Low | 201 Ų | 201 | 153.7 Ų | 153.7 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -68.1 | 147.6 | 174.6 | -75 | 169 | 165.6 | 176 | 0 | 112.2 | ||||
| 219 | S | 54.1 | Low | 49.8 | Very low | 124 Ų | 124 | 156.3 Ų | 156.3 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | 169.5 | 130.9 | 128.8 | 44.6 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 220 | G | 40.6 | Very low | 49.9 | Very low | 79 Ų | 79 | 160.6 Ų | 160.6 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | cis | 100.7 | 65.2 | 18.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 221 | S | 53.1 | Low | 49.9 | Very low | 77 Ų | 77 | 160.8 Ų | 160.8 | 54% | 0.538 | 79% | 0.79 | S | S | . | * | trans | -146.4 | 102.8 | 162 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | Y223 | S221-Y223 VanDerWaalsContact OG-CZ 3.24Å; S221-Y223 PolarHBondContact OG-OH 2.69Å | ||
| 222 | R | 44 | Very low | 50.5 | Low | 220 Ų | 220 | 159.5 Ų | 159.5 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -69 | 131.4 | 163.5 | 174 | -171.9 | -89.2 | 176.7 | -11 | 108.4 | ||||
| 223 | Y | 47.3 | Very low | 51.1 | Low | 205 Ų | 205 | 158.3 Ų | 158.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -123.8 | 93.7 | 163.5 | -31.8 | -78.1 | 0 | 0 | 0 | 108.1 | S221 | S221-Y223 VanDerWaalsContact OG-CZ 3.24Å; S221-Y223 PolarHBondContact OG-OH 2.69Å | ||
| 224 | E | 48.1 | Very low | 51 | Low | 166 Ų | 166 | 164.5 Ų | 164.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -83.9 | 136.1 | 154.7 | -86.6 | -175.1 | 122.2 | 0 | 0 | 107.7 | ||||
| 225 | K | 56.6 | Low | 51.4 | Low | 211 Ų | 211 | 160.5 Ų | 160.5 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -139.2 | 85.5 | 160.8 | -118.9 | -175.1 | -177 | -177.6 | 0 | 110.2 | ||||
| 226 | E | 50.4 | Low | 51.5 | Low | 166 Ų | 166 | 164.8 Ų | 164.8 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 18.7 | 127.6 | 130.8 | -149.5 | 169.9 | 150.3 | 0 | 0 | 120.3 | ||||
| 227 | S | 43.1 | Very low | 51.8 | Low | 99 Ų | 99 | 162 Ų | 162 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -58 | 143.2 | 163.9 | 49.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 228 | R | 52.7 | Low | 52.1 | Low | 224 Ų | 224 | 162.2 Ų | 162.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -179.6 | 110.5 | 143.9 | -101.1 | 162.7 | -173 | -142.4 | 3.6 | 108.9 | ||||
| 229 | K | 50.9 | Low | 52.3 | Low | 192 Ų | 192 | 157.7 Ų | 157.7 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | 73.9 | 125.4 | 90.1 | -86.4 | -169.8 | -179.8 | -178.6 | 0 | 115.8 | |||||
| 230 | K | 53.6 | Low | 52.3 | Low | 188 Ų | 188 | 163.8 Ų | 163.8 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 100.6 | 100.3 | 146.3 | -72 | 179.9 | 173.9 | -170.1 | 0 | 121 | ||||
| 231 | E | 49.4 | Very low | 52.8 | Low | 190 Ų | 190 | 165.1 Ų | 165.1 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | 65.3 | 149.9 | 120.7 | -64.7 | -96.5 | 137.5 | 0 | 0 | 123.1 | |||||
| 232 | P | 66.4 | Low | 53 | Low | 103 Ų | 103 | 169.8 Ų | 169.8 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | trans | -111.1 | 177.9 | -158.1 | 41.2 | -28.9 | 0 | 0 | 0 | 115.2 | ||||
| 233 | P | 57.8 | Low | 53.4 | Low | 124 Ų | 124 | 164.7 Ų | 164.7 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -147.4 | 138.9 | 131.9 | 33.3 | -14.7 | 0 | 0 | 0 | 117.6 | ||||
| 234 | R | 50.9 | Low | 53.8 | Low | 240 Ų | 240 | 164.8 Ų | 164.8 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | 41 | 140.8 | 132.3 | -92.3 | -179.7 | 171.7 | -160.6 | -1.4 | 124.9 | ||||
| 235 | S | 56.6 | Low | 53.9 | Low | 102 Ų | 102 | 162.4 Ų | 162.4 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | 94.1 | 136.9 | 144.6 | 82.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 236 | K | 55.7 | Low | 53.9 | Low | 190 Ų | 190 | 163.5 Ų | 163.5 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | cis | -150.8 | 135.6 | 31.2 | -75.5 | 173.7 | 178.3 | 168.5 | 0 | 113.6 | ||||
| 237 | S | 54.5 | Low | 53.9 | Low | 109 Ų | 109 | 161.1 Ų | 161.1 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | 3.5 | 133.1 | 140 | 57.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 238 | Q | 58.5 | Low | 54.6 | Low | 196 Ų | 196 | 166.6 Ų | 166.6 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | -159.2 | 129.3 | 117.3 | -108.3 | 178.8 | -0.3 | 0 | 0 | 111.9 | |||||
| 239 | S | 53.3 | Low | 54.7 | Low | 106 Ų | 106 | 161.3 Ų | 161.3 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | trans | -79.8 | 151.9 | -177.3 | 41.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 240 | R | 55.4 | Low | 54.9 | Low | 252 Ų | 252 | 163.5 Ų | 163.5 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | trans | -175.8 | 103.3 | 133.2 | -101.8 | 163.1 | 178.5 | -165.1 | -0.4 | 112.2 | ||||
| 241 | S | 51.1 | Low | 55.2 | Low | 108 Ų | 108 | 159.8 Ų | 159.8 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -75.1 | 134.7 | 160.7 | 45.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 242 | Q | 57.5 | Low | 55.6 | Low | 174 Ų | 174 | 162.4 Ų | 162.4 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | -144.7 | 97.1 | 151.8 | -84.6 | -163.7 | -18.4 | 0 | 0 | 111.4 | ||||
| 243 | S | 51.3 | Low | 55.5 | Low | 113 Ų | 113 | 162.9 Ų | 162.9 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -73.8 | 122.4 | 154.5 | 44.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 244 | R | 56.4 | Low | 55.1 | Low | 207 Ų | 207 | 168.2 Ų | 168.2 | 78% | 0.781 | 83% | 0.832 | S | S | * | * | trans | -147.2 | 93.4 | 159.7 | -74.4 | -164.4 | 166.6 | 174.6 | -4.5 | 111.8 | ||||
| 245 | S | 50.3 | Low | 55.9 | Low | 117 Ų | 117 | 163.1 Ų | 163.1 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -54.7 | 131.4 | 147.9 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 246 | R | 55.2 | Low | 56.2 | Low | 233 Ų | 233 | 163.7 Ų | 163.7 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | trans | -160.4 | 110 | 155.5 | -114.7 | 169.9 | -179.7 | 177.4 | -0.4 | 111.8 | ||||
| 247 | S | 51.8 | Low | 57.1 | Low | 116 Ų | 116 | 160.7 Ų | 160.7 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -49 | 141.9 | 164.5 | -37.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 248 | K | 58.2 | Low | 57.7 | Low | 214 Ų | 214 | 164.9 Ų | 164.9 | 93% | 0.93 | 84% | 0.836 | S | S | * | * | trans | -152.7 | 101 | 155.7 | -114.9 | 171.4 | -176.6 | 178.4 | 0 | 111 | ||||
| 249 | S | 54.6 | Low | 57.4 | Low | 114 Ų | 114 | 161.2 Ų | 161.2 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | -53.7 | 140.6 | 161.8 | -37.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 250 | R | 54.7 | Low | 58 | Low | 237 Ų | 237 | 161.9 Ų | 161.9 | 89% | 0.894 | 84% | 0.836 | S | S | * | * | trans | -166.1 | 85.9 | 150.1 | -111.2 | 170.5 | 175 | -175.4 | -3 | 111.2 | ||||
| 251 | S | 60.2 | Low | 58.3 | Low | 111 Ų | 111 | 153.2 Ų | 153.2 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | trans | 12.3 | 117.7 | 130.6 | 48 | 0 | 0 | 0 | 0 | 118 | ||||
| 252 | R | 56.3 | Low | 58.5 | Low | 244 Ų | 244 | 161 Ų | 161 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | trans | -128.2 | 112.4 | 147.2 | -83 | -177 | 169.6 | 162.3 | -3.6 | 108.3 | ||||
| 253 | S | 64.6 | Low | 58.6 | Low | 114 Ų | 114 | 160.3 Ų | 160.3 | 80% | 0.797 | 85% | 0.851 | S | S | * | * | trans | -70.1 | 145.4 | -176.9 | 36.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 254 | W | 51 | Low | 59 | Low | 236 Ų | 236 | 162.8 Ų | 162.8 | 89% | 0.894 | 86% | 0.855 | S | S | * | * | trans | -86.5 | 133.8 | 165.4 | -73.4 | 58.3 | 0 | 0 | 0 | 109 | ||||
| 255 | T | 67.7 | Low | 59.1 | Low | 133 Ų | 133 | 160.3 Ų | 160.3 | 82% | 0.816 | 86% | 0.859 | S | S | * | * | trans | -143.9 | 112.8 | 158 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 256 | S | 62.7 | Low | 59.6 | Low | 113 Ų | 113 | 162.9 Ų | 162.9 | 79% | 0.79 | 86% | 0.861 | S | S | * | * | trans | -118 | 121.1 | 158 | -60.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 257 | P | 73.7 | Confident | 59.9 | Low | 127 Ų | 127 | 158.5 Ų | 158.5 | 83% | 0.825 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 132.1 | 166.8 | -3.3 | 22.2 | 0 | 0 | 0 | 109.9 | ||
| 258 | K | 67.1 | Low | 60.4 | Low | 198 Ų | 198 | 161.3 Ų | 161.3 | 86% | 0.861 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 150.3 | 170.9 | -78.2 | 171.8 | 165.3 | -177.6 | 0 | 111.7 | ||
| 259 | S | 53.3 | Low | 60.6 | Low | 119 Ų | 119 | 157.6 Ų | 157.6 | 83% | 0.832 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 132.6 | 161.7 | 52 | 0 | 0 | 0 | 0 | 113.5 | ||
| 260 | S | 64.4 | Low | 61.1 | Low | 119 Ų | 119 | 160.9 Ų | 160.9 | 83% | 0.832 | 86% | 0.863 | S | S | * | * | trans | -178.5 | 118.1 | 153.5 | 51.7 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 261 | G | 62.2 | Low | 61.6 | Low | 71 Ų | 71 | 154.6 Ų | 154.6 | 73% | 0.732 | 86% | 0.861 | S | S | * | * | 112.8 | 92.2 | 54.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 262 | H | 56 | Low | 61.7 | Low | 270 Ų | 270 | 158.5 Ų | 158.5 | 100% | 1.25 | 87% | 0.868 | S | S | * | * | trans | 178.5 | 0 | 145.9 | -106 | -64.7 | 0 | 0 | 0 | 109.6 |
Retrieved 262 of 262 residues in 41.9 ms
(Link to these results)