| 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 | 30.8 | Very low | 66.8 | Low | 202 Ų | 202 | 95.1 Ų | 95.1 | 100% | 0.995 | 53% | 0.531 | S | S | * | . | 0 | 117.3 | 0 | -94.9 | 176.8 | 161 | 0 | 0 | 108 | V3 | M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 2.92Å | |||
| 2 | V | 29.5 | Very low | 67.9 | Low | 131 Ų | 131 | 94.5 Ų | 94.5 | 79% | 0.794 | 54% | 0.535 | S | S | * | . | trans | -60.3 | 108.5 | 150 | 177.6 | 0 | 0 | 0 | 0 | 103.6 | Q4 | V2-Q4 PolarHBondContact O-N 3.42Š| ||
| 3 | V | 30.1 | Very low | 68.7 | Low | 120 Ų | 120 | 99 Ų | 99 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | trans | -60.9 | 98.7 | 169.4 | 180 | 0 | 0 | 0 | 0 | 103.9 | M1 T5 | M1-V3 VanDerWaalsContact C-N 3.31Å; M1-V3 PolarHBondContact O-N 2.92Å; V3-T5 PolarHBondContact O-N 3.39Å | ||
| 4 | Q | 38.4 | Very low | 69.4 | Low | 171 Ų | 171 | 94.4 Ų | 94.4 | 80% | 0.799 | 53% | 0.531 | S | S | * | . | trans | -56.8 | 111.3 | 171.8 | -83.4 | -173.9 | -15.2 | 0 | 0 | 104.8 | V2 V6 | V2-Q4 PolarHBondContact O-N 3.42Å; Q4-V6 PolarHBondContact O-N 2.81Å | ||
| 5 | T | 64.6 | Low | 69.9 | Low | 87 Ų | 87 | 99.4 Ų | 99.4 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | trans | -62.9 | 112.4 | 173.2 | -57.2 | 0 | 0 | 0 | 0 | 105.1 | V3 V7 | V3-T5 PolarHBondContact O-N 3.39Å; T5-V7 PolarHBondContact O-N 3.11Å; T5-V7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | V | 85.7 | Confident | 70.3 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 61% | 0.606 | 55% | 0.55 | S | S | * | * | trans | -58.7 | 121.5 | 177.2 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | Q4 | Q4-V6 PolarHBondContact O-N 2.81Š| ||
| 7 | V | 89.8 | Confident | 71.1 | Confident | 57 Ų | 57 | 103.8 Ų | 103.8 | 35% | 0.345 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 110.7 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | T5 L20 T77 R79 | T5-V7 PolarHBondContact O-N 3.11Å; T5-V7 VanDerWaalsContact O-N 3.15Å; V7-L20 HydrophobicContact CG1-CD2 3.63Å; V7-T77 WeakPolarHBondContact CA-O 3.43Å; V7-T77 HydrophobicContact CG2-CG2 4.24Å; V7-R79 HydrophobicContact CG1-CB 3.98Å |
| 8 | H | 94.1 | Very high | 72.2 | Confident | 40 Ų | 40 | 100.4 Ų | 100.4 | 19% | 0.185 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.8 | 176.6 | 176.3 | -63.1 | -76.5 | 0 | 0 | 0 | 111.2 | D57 V59 T77 F78 R79 | H8-D57 VanDerWaalsContact CA-OD2 3.31Å; H8-D57 WeakPolarHBondContact CA-OD2 3.48Å; H8-D57 VanDerWaalsContact CB-OD2 3.24Å; H8-D57 WeakPolarHBondContact CB-OD2 3.2Å; H8-D57 IonicContact CG-OD2 3.92Å; H8-D57 IonicContact ND1-OD2 3.6Å; H8-V59 HydrophobicContact CB-CG2 4.23Å; H8-V59 WeakPolarHBondContact CE1-CG2 3.2Å; H8-V59 WeakPolarHBondContact ND1-CG2 2.89Å; H8-T77 PolarHBondContact N-O 3.26Å; H8-F78 HydrophobicContact CB-CD1 3.39Å; H8-F78 HydrophobicContact CB-CD2 4.44Å; H8-F78 HydrophobicContact CB-CE1 3.41Å; H8-F78 VanDerWaalsContact CB-CE1 3.41Å; H8-F78 HydrophobicContact CB-CE2 4.46Å; H8-F78 HydrophobicContact CB-CG 3.94Å; H8-F78 HydrophobicContact CB-CZ 3.98Å; H8-F78 CarbonylContact O-C 3.57Å; H8-F78 VanDerWaalsContact O-CA 3.31Å; H8-F78 WeakPolarHBondContact O-CA 3.27Å; H8-R79 PolarHBondContact O-N 3.3Å |
| 9 | G | 93.1 | Very high | 73.3 | Confident | 16 Ų | 16 | 99.2 Ų | 99.2 | 17% | 0.165 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 84 | -143.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D57 | G9-D57 PolarHBondContact N-OD2 3.21Å |
| 10 | Y | 91.9 | Very high | 74.3 | Confident | 39 Ų | 39 | 96.9 Ų | 96.9 | 15% | 0.153 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -61.4 | 144.1 | -174.8 | -75.9 | -80.8 | 0 | 0 | 0 | 112.5 | T14 T18 V56 R79 T81 | Y10-T14 HydrophobicContact CD1-CG2 4.43Å; Y10-T14 HydrophobicContact CG-CG2 4.38Å; Y10-T18 HydrophobicContact CD2-CG2 4.29Å; Y10-T18 HydrophobicContact CG-CG2 4.32Å; Y10-V56 HydrophobicContact CD1-CG1 4.17Å; Y10-V56 HydrophobicContact CD2-CG1 4.02Å; Y10-V56 HydrophobicContact CE1-CG1 4.06Å; Y10-V56 HydrophobicContact CE2-CG1 3.91Å; Y10-V56 HydrophobicContact CE2-CG2 4.2Å; Y10-V56 HydrophobicContact CG-CG1 4.14Å; Y10-R79 PolarHBondContact N-O 3.37Å; Y10-R79 WeakPolarHBondContact O-CB 3.17Å; Y10-R79 VanDerWaalsContact O-CD 3.26Å; Y10-R79 WeakPolarHBondContact O-CD 3.37Å; Y10-R79 PolarHBondContact O-NH1 3.4Å; Y10-T81 HydrophobicContact CD2-CG2 4.21Å; Y10-T81 HydrophobicContact CE2-CG2 3.85Å |
| 11 | P | 87 | Confident | 75.2 | Confident | 83 Ų | 83 | 92.3 Ų | 92.3 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | trans | -63.6 | 154.9 | 171.7 | 27.9 | -34.2 | 0 | 0 | 0 | 110.7 | N13 T14 | P11-N13 PolarHBondContact O-N 2.8Å; P11-T14 WeakPolarHBondContact O-CG2 3.45Å; P11-T14 PolarHBondContact O-N 3.11Å | ||
| 12 | P | 79.5 | Confident | 78.3 | Confident | 88 Ų | 88 | 86.6 Ų | 86.6 | 57% | 0.571 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26 | -177 | 21.2 | -30.4 | 0 | 0 | 0 | 113.6 | R79 | P12-R79 VanDerWaalsContact CA-CZ 3.42Å; P12-R79 VanDerWaalsContact CD-NH1 3.34Å |
| 13 | N | 78.3 | Confident | 81.4 | Confident | 153 Ų | 153 | 80.4 Ų | 80.4 | 82% | 0.818 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 29.5 | -176 | -59.3 | -12.4 | 0 | 0 | 0 | 112.4 | P11 | P11-N13 PolarHBondContact O-N 2.8Š|
| 14 | T | 78.4 | Confident | 84.5 | Confident | 34 Ų | 34 | 78.9 Ų | 78.9 | 21% | 0.209 | 42% | 0.415 | C | S | . | . | trans | -76.1 | 143.8 | 174.1 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | Y10 P11 N16 T18 | Y10-T14 HydrophobicContact CD1-CG2 4.43Å; Y10-T14 HydrophobicContact CG-CG2 4.38Å; P11-T14 WeakPolarHBondContact O-CG2 3.45Å; P11-T14 PolarHBondContact O-N 3.11Å; T14-N16 HydrophobicContact CG2-CB 4.31Å; T14-N16 PolarHBondContact O-N 3.2Å; T14-T18 HydrophobicContact CG2-CG2 3.54Å | ||
| 15 | D | 77.2 | Confident | 87.3 | Confident | 170 Ų | 170 | 70.8 Ų | 70.8 | 91% | 0.909 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -66.8 | -11.9 | 177.2 | -64.9 | -39 | 0 | 0 | 0 | 113.3 | ||
| 16 | N | 76.7 | Confident | 88.7 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -84.4 | 143.1 | -178 | -63.8 | -45.2 | 0 | 0 | 0 | 112.1 | T14 T18 T81 | T14-N16 HydrophobicContact CG2-CB 4.31Å; T14-N16 PolarHBondContact O-N 3.2Å; N16-T18 HydrophobicContact CB-CG2 4.49Å; N16-T18 PolarHBondContact O-N 3.06Å; N16-T18 VanDerWaalsContact O-N 3.11Å; N16-T81 HydrophobicContact CB-CG2 3.81Å |
| 17 | E | 84.1 | Confident | 89.2 | Confident | 188 Ų | 188 | 68.2 Ų | 68.2 | 88% | 0.879 | 35% | 0.35 | S | S | * | . | trans | -60.6 | 116.1 | 165.1 | -72.9 | -174 | 169.3 | 0 | 0 | 109.6 | ||||
| 18 | T | 91.1 | Very high | 89.4 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | trans | -123.6 | 149.7 | -177.8 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | Y10 T14 N16 R79 V80 T81 | Y10-T18 HydrophobicContact CD2-CG2 4.29Å; Y10-T18 HydrophobicContact CG-CG2 4.32Å; T14-T18 HydrophobicContact CG2-CG2 3.54Å; N16-T18 HydrophobicContact CB-CG2 4.49Å; N16-T18 PolarHBondContact O-N 3.06Å; N16-T18 VanDerWaalsContact O-N 3.11Å; T18-R79 HydrophobicContact CG2-CG 3.97Å; T18-R79 WeakPolarHBondContact OG1-CD 3.23Å; T18-V80 CarbonylContact C-O 3.58Å; T18-V80 VanDerWaalsContact CA-O 3.29Å; T18-V80 WeakPolarHBondContact CA-O 3.17Å; T18-T81 HydrophobicContact CG2-CG2 3.88Å | ||
| 19 | E | 91.8 | Very high | 89.3 | Confident | 76 Ų | 76 | 64.3 Ų | 64.3 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 158.6 | 175.9 | -67.8 | 174.4 | -106.5 | 0 | 0 | 109.6 | R79 V80 R82 F146 | E19-R79 WeakPolarHBondContact O-CA 3.22Å; E19-V80 PolarHBondContact N-O 2.89Å; E19-V80 PolarHBondContact O-N 2.87Å; E19-R82 IonicContact OE1-CZ 2.73Å; E19-R82 IonicContact OE1-NE 3.2Å; E19-R82 PolarHBondContact OE1-NE 3.05Å; E19-R82 IonicContact OE1-NH2 3.82Å; E19-R82 PolarHBondContact OE1-NH2 2.95Å; E19-R82 IonicContact OE2-CZ 2.99Å; E19-R82 IonicContact OE2-NE 2.92Å; E19-R82 IonicContact OE2-NH2 2.67Å; E19-R82 PolarHBondContact OE2-NH2 3.03Å; E19-F146 HydrophobicContact CB-CD1 3.8Å; E19-F146 HydrophobicContact CB-CE1 4.03Å |
| 20 | L | 93.8 | Very high | 89 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.2 | 173.5 | -64.3 | -179.1 | 0 | 0 | 0 | 109.9 | V7 T77 F78 R79 F146 M147 | V7-L20 HydrophobicContact CG1-CD2 3.63Å; L20-T77 HydrophobicContact CB-CG2 4.25Å; L20-T77 HydrophobicContact CD2-CG2 4.33Å; L20-F78 CarbonylContact C-O 3.44Å; L20-F78 WeakPolarHBondContact CA-O 3.27Å; L20-R79 HydrophobicContact CD2-CB 4Å; L20-R79 HydrophobicContact CD2-CG 4.42Å; L20-F146 CarbonylContact O-C 3.44Å; L20-F146 WeakPolarHBondContact O-CA 3.42Å; L20-M147 HydrophobicContact CB-CB 4.1Å; L20-M147 HydrophobicContact CB-CG 4.35Å; L20-M147 HydrophobicContact CB-SD 4.29Å; L20-M147 HydrophobicContact CD1-SD 4.47Å; L20-M147 PolarHBondContact O-N 3.36Å |
| 21 | L | 94.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.5 | 174.1 | -178.8 | 73.7 | 0 | 0 | 0 | 109.5 | V23 T77 F78 V80 M86 L109 I114 F144 F146 | L21-V23 HydrophobicContact CD2-CG2 4.03Å; L21-V23 HydrophobicContact CG-CG2 4.21Å; L21-T77 CarbonylContact O-C 3.55Å; L21-T77 WeakPolarHBondContact O-CA 3.18Å; L21-F78 PolarHBondContact N-O 2.83Å; L21-F78 PolarHBondContact O-N 3.21Å; L21-V80 HydrophobicContact CB-CG1 4.14Å; L21-V80 HydrophobicContact CB-CG2 3.77Å; L21-V80 HydrophobicContact CD2-CG1 4.33Å; L21-M86 HydrophobicContact CD2-CE 4.17Å; L21-L109 HydrophobicContact CD2-CD1 3.97Å; L21-L109 HydrophobicContact CD2-CD2 3.68Å; L21-I114 HydrophobicContact CD1-CG2 4.02Å; L21-F144 HydrophobicContact CD1-CB 4.31Å; L21-F144 HydrophobicContact CD2-CD1 4.41Å; L21-F146 HydrophobicContact CB-CD1 4.35Å; L21-F146 HydrophobicContact CB-CE1 4.17Å; L21-F146 HydrophobicContact CD1-CD1 4.15Å; L21-F146 HydrophobicContact CD1-CD2 4.38Å; L21-F146 HydrophobicContact CD1-CE1 3.97Å; L21-F146 HydrophobicContact CD1-CE2 4.18Å; L21-F146 HydrophobicContact CD1-CG 4.36Å; L21-F146 HydrophobicContact CD1-CZ 3.99Å |
| 22 | R | 94.3 | Very high | 87.8 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 122.8 | 171.9 | -173.3 | 174.2 | -80.2 | 174.4 | -5.1 | 110.1 | V75 F76 F144 H145 M147 | R22-V75 HydrophobicContact CG-CG1 3.45Å; R22-V75 VanDerWaalsContact CG-CG1 3.45Å; R22-F76 CarbonylContact C-O 3.55Å; R22-F76 WeakPolarHBondContact CA-O 3.44Å; R22-F144 WeakPolarHBondContact O-CA 3.18Å; R22-H145 WeakPolarHBondContact CD-CE1 3.45Å; R22-H145 PolarHBondContact N-O 3.13Å; R22-H145 PolarHBondContact O-N 2.93Å; R22-H145 VanDerWaalsContact O-N 3.12Å; R22-M147 HydrophobicContact CB-CG 4.32Å |
| 23 | V | 95.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117.7 | 178.9 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | L21 V75 F76 F78 M86 F144 | L21-V23 HydrophobicContact CD2-CG2 4.03Å; L21-V23 HydrophobicContact CG-CG2 4.21Å; V23-V75 WeakPolarHBondContact O-CA 3.38Å; V23-F76 PolarHBondContact N-O 2.92Å; V23-F76 PolarHBondContact O-N 2.84Å; V23-F78 HydrophobicContact CG2-CD2 4.04Å; V23-F78 HydrophobicContact CG2-CE2 4.42Å; V23-M86 HydrophobicContact CG2-CE 4.22Å; V23-F144 HydrophobicContact CB-CD1 4.47Å; V23-F144 HydrophobicContact CB-CE1 4.47Å; V23-F144 HydrophobicContact CG1-CD1 4.13Å; V23-F144 HydrophobicContact CG1-CE1 3.72Å; V23-F144 HydrophobicContact CG1-CZ 4.44Å; V23-F144 HydrophobicContact CG2-CD1 3.92Å; V23-F144 HydrophobicContact CG2-CE1 4.08Å |
| 24 | R | 95.1 | Very high | 85.1 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121 | 172.6 | -173.3 | 172.7 | -176.3 | 177.6 | 3.3 | 109.6 | N73 S74 V75 L142 S143 | R24-N73 PolarHBondContact NH2-OD1 3.24Å; R24-S74 WeakPolarHBondContact CA-O 3.32Å; R24-V75 HydrophobicContact CB-CG2 4.29Å; R24-V75 HydrophobicContact CG-CG2 3.93Å; R24-L142 VanDerWaalsContact O-CA 3.3Å; R24-L142 WeakPolarHBondContact O-CA 3.27Å; R24-S143 WeakPolarHBondContact CB-OG 3.46Å; R24-S143 PolarHBondContact N-O 2.65Å; R24-S143 PolarHBondContact O-N 3.48Å; R24-S143 VanDerWaalsContact O-N 3.1Å |
| 25 | L | 96.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 102.6 | 170.3 | 173.1 | 63 | 0 | 0 | 0 | 108.5 | C44 V61 W72 N73 S74 F76 L140 L142 | L25-C44 HydrophobicContact CD2-CB 3.69Å; L25-V61 HydrophobicContact CD2-CB 4.34Å; L25-V61 HydrophobicContact CD2-CG1 4.05Å; L25-V61 HydrophobicContact CD2-CG2 3.91Å; L25-W72 HydrophobicContact CD1-CE3 3.8Å; L25-W72 HydrophobicContact CD1-CZ3 4.06Å; L25-W72 HydrophobicContact CD2-CB 4.12Å; L25-W72 HydrophobicContact CD2-CD2 3.85Å; L25-W72 HydrophobicContact CD2-CE3 3.9Å; L25-W72 HydrophobicContact CD2-CG 3.96Å; L25-W72 HydrophobicContact CG-CB 4.11Å; L25-W72 HydrophobicContact CG-CD2 4.15Å; L25-W72 HydrophobicContact CG-CE3 3.79Å; L25-W72 HydrophobicContact CG-CG 4.31Å; L25-N73 CarbonylContact O-C 3.49Å; L25-N73 WeakPolarHBondContact O-CA 3.39Å; L25-N73 PolarHBondContact O-N 2.9Å; L25-N73 VanDerWaalsContact O-N 3.12Å; L25-S74 PolarHBondContact N-O 3.09Å; L25-S74 PolarHBondContact O-N 2.82Å; L25-F76 HydrophobicContact CB-CE2 4.49Å; L25-L140 HydrophobicContact CD1-CD2 4.41Å; L25-L142 HydrophobicContact CB-CD2 4.2Å; L25-L142 HydrophobicContact CD1-CD2 3.39Å; L25-L142 HydrophobicContact CG-CD2 4.39Å |
| 26 | L | 94.8 | Very high | 81.9 | Confident | 41 Ų | 41 | 64 Ų | 64 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -64.6 | -178.7 | -177.9 | 65.4 | 0 | 0 | 0 | 111.1 | W72 N73 P121 F141 | L26-W72 PolarHBondContact O-N 2.66Å; L26-N73 HydrophobicContact CD1-CB 4.28Å; L26-N73 WeakPolarHBondContact CD1-OD1 3.48Å; L26-N73 PolarHBondContact O-N 2.69Å; L26-P121 HydrophobicContact CB-CB 4.15Å; L26-P121 HydrophobicContact CB-CG 4.16Å; L26-P121 HydrophobicContact CD2-CB 4.11Å; L26-P121 HydrophobicContact CD2-CG 4.1Å; L26-F141 HydrophobicContact CB-CB 4.12Å; L26-F141 WeakPolarHBondContact CB-O 3.36Å; L26-F141 HydrophobicContact CD2-CB 4.34Å; L26-F141 PolarHBondContact N-O 3.32Å |
| 27 | R | 95.8 | Very high | 80.5 | Confident | 93 Ų | 93 | 62 Ų | 62 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 159.7 | -172.4 | 64 | 179.4 | -175.9 | 130.6 | 4.4 | 112.6 | P70 F141 | R27-P70 CarbonylContact C-O 3.45Å; R27-P70 WeakPolarHBondContact CA-O 3.32Å; R27-P70 WeakPolarHBondContact CB-O 3.27Å; R27-F141 HydrophobicContact CG-CB 3.92Å; R27-F141 HydrophobicContact CG-CD2 3.85Å; R27-F141 HydrophobicContact CG-CG 4.03Å; R27-F141 VanDerWaalsContact NH2-CZ 3.31Å; R27-F141 PolarHBondContact O-N 3.4Å |
| 28 | G | 93.9 | Very high | 78.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 154.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N69 P70 S139 | G28-N69 CarbonylContact O-C 3.58Å; G28-N69 WeakPolarHBondContact O-CA 3.39Å; G28-P70 PolarHBondContact N-O 3.37Å; G28-S139 CarbonylContact C-O 3.45Å; G28-S139 WeakPolarHBondContact CA-O 3.42Å |
| 29 | T | 91.7 | Very high | 77.5 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 9% | 0.092 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 141.1 | 173.2 | 61.6 | 0 | 0 | 0 | 0 | 111 | L31 N69 G138 S139 F141 | T29-L31 PolarHBondContact O-N 3.49Å; T29-L31 VanDerWaalsContact O-N 3.1Å; T29-N69 WeakPolarHBondContact CA-OD1 3.45Å; T29-G138 CarbonylContact O-C 3.58Å; T29-G138 VanDerWaalsContact O-CA 3.23Å; T29-G138 WeakPolarHBondContact O-CA 3.18Å; T29-S139 PolarHBondContact N-O 2.93Å; T29-S139 PolarHBondContact O-N 3.18Å; T29-F141 HydrophobicContact CG2-CD2 3.95Å; T29-F141 HydrophobicContact CG2-CE2 3.49Å; T29-F141 VanDerWaalsContact CG2-CE2 3.49Å |
| 30 | K | 86.4 | Confident | 76.8 | Confident | 151 Ų | 151 | 53.5 Ų | 53.5 | 66% | 0.657 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 51.4 | 34.1 | 176.6 | -59.1 | 179 | -180 | 172.9 | 0 | 113.6 | G32 R68 N69 G138 | K30-G32 PolarHBondContact O-N 3.41Å; K30-R68 PolarHBondContact N-O 2.69Å; K30-N69 PolarHBondContact N-OD1 3.13Å; K30-G138 WeakPolarHBondContact O-CA 3.43Å; K30-G138 PolarHBondContact O-N 2.84Å |
| 31 | L | 85.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -52 | 133.6 | 178.3 | -60.9 | -179.3 | 0 | 0 | 0 | 110 | T29 P42 R68 P70 V90 M102 L126 | T29-L31 PolarHBondContact O-N 3.49Å; T29-L31 VanDerWaalsContact O-N 3.1Å; L31-P42 HydrophobicContact CD1-CB 3.71Å; L31-P42 HydrophobicContact CD1-CG 3.91Å; L31-R68 PolarHBondContact N-O 2.83Å; L31-R68 PolarHBondContact O-NE 2.83Å; L31-R68 PolarHBondContact O-NH2 2.77Å; L31-P70 HydrophobicContact CD1-CG 3.66Å; L31-V90 HydrophobicContact CD1-CG1 4.03Å; L31-V90 HydrophobicContact CD2-CG1 4.33Å; L31-M102 HydrophobicContact CB-CE 3.76Å; L31-L126 HydrophobicContact CD2-CD1 3.48Å; L31-L126 VanDerWaalsContact CD2-CD1 3.48Å | ||
| 32 | G | 68.6 | Low | 76.2 | Confident | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | trans | -62.9 | 144 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114 | K30 R34 M102 I137 | K30-G32 PolarHBondContact O-N 3.41Å; G32-R34 PolarHBondContact O-N 3Å; G32-M102 VanDerWaalsContact O-CE 3.25Å; G32-M102 WeakPolarHBondContact O-CE 3.3Å; G32-I137 PolarHBondContact N-O 2.92Å | ||
| 33 | K | 51.7 | Low | 76.3 | Confident | 143 Ų | 143 | 48.6 Ų | 48.6 | 62% | 0.622 | 24% | 0.241 | S | C | * | . | trans | -76.1 | 110 | 168.8 | -77.3 | -174.3 | 170.4 | -168.7 | 0 | 109.4 | ||||
| 34 | R | 49.1 | Very low | 76.3 | Confident | 131 Ų | 131 | 48.6 Ų | 48.6 | 49% | 0.494 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -104.1 | -46.4 | 153.2 | -80.7 | -167.4 | 178.3 | -172.1 | -1.4 | 110.5 | G32 L36 T130 | G32-R34 PolarHBondContact O-N 3Å; R34-L36 PolarHBondContact O-N 2.87Å; R34-T130 PolarHBondContact NH2-OG1 2.83Å |
| 35 | D | 44.3 | Very low | 76.4 | Confident | 64 Ų | 64 | 45.2 Ų | 45.2 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | trans | -82.4 | 120.5 | 173.8 | -63.6 | -10.1 | 0 | 0 | 0 | 109.3 | L37 | D35-L37 PolarHBondContact O-N 3.07Š| ||
| 36 | L | 44.2 | Very low | 76.4 | Confident | 71 Ų | 71 | 45.2 Ų | 45.2 | 37% | 0.372 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -71.2 | -4.8 | 176.5 | -125.5 | 115.5 | 0 | 0 | 0 | 112.5 | R34 Y405 R406 Y481 | R34-L36 PolarHBondContact O-N 2.87Å; L36-Y405 HydrophobicContact CD2-CD1 3.97Å; L36-Y405 HydrophobicContact CD2-CE1 3.65Å; L36-R406 HydrophobicContact CD1-CG 4Å; L36-Y481 PolarHBondContact O-OH 3.35Å |
| 37 | L | 47.2 | Very low | 76.5 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -117.1 | -13.5 | -158.7 | -81.7 | 153.3 | 0 | 0 | 0 | 115.8 | D35 F401 E402 Y452 Y481 | D35-L37 PolarHBondContact O-N 3.07Å; L37-F401 HydrophobicContact CD1-CD1 4.05Å; L37-F401 HydrophobicContact CD1-CE1 4.26Å; L37-F401 HydrophobicContact CD2-CE1 4.28Å; L37-E402 HydrophobicContact CD1-CG 3.8Å; L37-E402 WeakPolarHBondContact CD1-OE1 3.42Å; L37-Y452 HydrophobicContact CD1-CD1 4.07Å; L37-Y452 HydrophobicContact CD1-CE1 3.47Å; L37-Y452 VanDerWaalsContact CD1-CE1 3.47Å; L37-Y452 HydrophobicContact CD2-CD1 4.01Å; L37-Y452 HydrophobicContact CD2-CE1 4.26Å; L37-Y452 HydrophobicContact CG-CE1 4.44Å; L37-Y481 HydrophobicContact CD2-CD1 4.22Å; L37-Y481 HydrophobicContact CD2-CD2 4.35Å; L37-Y481 HydrophobicContact CD2-CE1 3.47Å; L37-Y481 VanDerWaalsContact CD2-CE1 3.47Å; L37-Y481 HydrophobicContact CD2-CE2 3.62Å; L37-Y481 WeakPolarHBondContact CD2-OH 3.41Å; L37-Y481 HydrophobicContact CG-CE1 4.19Å; L37-Y481 VanDerWaalsContact CG-OH 3.25Å; L37-Y481 WeakPolarHBondContact CG-OH 3.37Å |
| 38 | G | 51.8 | Low | 76.6 | Confident | 44 Ų | 44 | 41.5 Ų | 41.5 | 45% | 0.454 | 21% | 0.212 | S | C | . | . | trans | -130.9 | 135.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111 | C40 | G38-C40 PolarHBondContact O-N 3.11Å; G38-C40 VanDerWaalsContact O-N 3.12Å | ||
| 39 | V | 61.4 | Low | 76.7 | Confident | 79 Ų | 79 | 42.2 Ų | 42.2 | 48% | 0.479 | 22% | 0.215 | S | C | . | . | trans | -65 | 111.1 | 149.8 | -153.9 | 0 | 0 | 0 | 0 | 104.8 | K66 R68 | V39-K66 HydrophobicContact CB-CB 3.88Å; V39-K66 HydrophobicContact CB-CG 4.49Å; V39-K66 HydrophobicContact CG1-CB 4.35Å; V39-K66 WeakPolarHBondContact CG1-O 3.46Å; V39-K66 WeakPolarHBondContact O-CA 3.37Å; V39-R68 HydrophobicContact CG1-CG 4.44Å | ||
| 40 | C | 75.9 | Confident | 76.7 | Confident | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | trans | -52.1 | 149.9 | -178.9 | 52.9 | 0 | 0 | 0 | 0 | 110.8 | G38 P42 K66 T67 D92 M102 | G38-C40 PolarHBondContact O-N 3.11Å; G38-C40 VanDerWaalsContact O-N 3.12Å; C40-P42 WeakPolarHBondContact O-CD 3.46Å; C40-K66 CarbonylContact O-C 3.55Å; C40-K66 VanDerWaalsContact O-CA 3.26Å; C40-K66 WeakPolarHBondContact O-CA 3.4Å; C40-K66 PolarHBondContact O-N 2.74Å; C40-T67 PolarHBondContact O-N 3.48Å; C40-T67 PolarHBondContact SG-O 2.76Å; C40-D92 WeakPolarHBondContact CA-OD1 3.32Å; C40-D92 WeakPolarHBondContact CB-OD1 3.32Å; C40-D92 VanDerWaalsContact CB-OD2 3.24Å; C40-D92 WeakPolarHBondContact CB-OD2 3.41Å; C40-M102 HydrophobicContact CB-CE 4.16Å; C40-M102 HydrophobicContact CB-SD 4.48Å | ||
| 41 | S | 86.2 | Confident | 76.7 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | trans | -106.1 | 75.9 | 169.9 | -63.4 | 0 | 0 | 0 | 0 | 109 | T63 K64 K66 D92 E93 | S41-T63 WeakPolarHBondContact O-CG2 3.16Å; S41-K64 CarbonylContact C-O 3.53Å; S41-K64 VanDerWaalsContact CA-O 3.28Å; S41-K64 WeakPolarHBondContact CA-O 3.46Å; S41-K66 PolarHBondContact OG-N 3.46Å; S41-K66 VanDerWaalsContact OG-N 3.11Å; S41-D92 PolarHBondContact N-OD1 3.49Å; S41-E93 WeakPolarHBondContact O-CB 3.26Å; S41-E93 PolarHBondContact O-N 2.76Å; S41-E93 VanDerWaalsContact O-N 3.09Å | ||
| 42 | P | 91.6 | Very high | 76.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 141 | -170.9 | 28.9 | -39.1 | 0 | 0 | 0 | 112.9 | L31 C40 K64 T67 P70 W72 V90 Y91 M102 | L31-P42 HydrophobicContact CD1-CB 3.71Å; L31-P42 HydrophobicContact CD1-CG 3.91Å; C40-P42 WeakPolarHBondContact O-CD 3.46Å; P42-K64 WeakPolarHBondContact CD-O 3.5Å; P42-K64 PolarHBondContact O-N 2.8Å; P42-T67 WeakPolarHBondContact CD-O 3.43Å; P42-T67 HydrophobicContact CG-CG2 4.43Å; P42-T67 VanDerWaalsContact CG-O 3.28Å; P42-T67 WeakPolarHBondContact CG-O 3.16Å; P42-P70 HydrophobicContact CB-CG 4.23Å; P42-P70 HydrophobicContact CG-CB 3.77Å; P42-P70 HydrophobicContact CG-CG 3.53Å; P42-W72 HydrophobicContact CB-CZ2 4.29Å; P42-V90 HydrophobicContact CB-CG1 4.3Å; P42-Y91 WeakPolarHBondContact CA-O 3.24Å; P42-M102 HydrophobicContact CB-SD 4.47Å |
| 43 | Y | 94.6 | Very high | 77.7 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.6 | 161.8 | 72.8 | -90.9 | 0 | 0 | 0 | 110.4 | M45 Q60 Y91 E93 D99 | Y43-M45 HydrophobicContact CE2-CE 4.25Å; Y43-Q60 HydrophobicContact CD2-CG 3.79Å; Y43-Q60 HydrophobicContact CE2-CG 4.01Å; Y43-Y91 VanDerWaalsContact CE1-CB 3.42Å; Y43-Y91 HydrophobicContact CE1-CG 4.3Å; Y43-Y91 AromaticContact CE2-CD2 3.78Å; Y43-Y91 HydrophobicContact CE2-CD2 3.78Å; Y43-Y91 HydrophobicContact CE2-CG 4.08Å; Y43-Y91 AromaticContact CZ-CD2 3.96Å; Y43-Y91 AromaticContact CZ-CG 3.78Å; Y43-Y91 PolarHBondContact N-O 2.68Å; Y43-Y91 PolarHBondContact O-N 3.11Å; Y43-E93 HydrophobicContact CD1-CB 3.99Å; Y43-E93 HydrophobicContact CE1-CB 4.15Å; Y43-D99 HydrophobicContact CE1-CB 4.27Å; Y43-D99 VanDerWaalsContact CE1-OD2 3.23Å; Y43-D99 WeakPolarHBondContact CE1-OD2 3.26Å; Y43-D99 VanDerWaalsContact CZ-OD2 3.28Å; Y43-D99 PolarHBondContact OH-OD2 3.31Å |
| 44 | C | 96.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.1 | 176.9 | -71.6 | 0 | 0 | 0 | 0 | 110.1 | L25 V61 W72 I88 L89 | L25-C44 HydrophobicContact CD2-CB 3.69Å; C44-V61 HydrophobicContact CB-CB 4.12Å; C44-V61 HydrophobicContact CB-CG2 3.94Å; C44-V61 WeakPolarHBondContact O-CB 3.18Å; C44-V61 WeakPolarHBondContact O-CG2 3.28Å; C44-V61 PolarHBondContact O-N 2.96Å; C44-W72 WeakPolarHBondContact SG-CH2 3.47Å; C44-I88 HydrophobicContact CB-CG2 4.15Å; C44-L89 CarbonylContact C-O 3.6Å; C44-L89 VanDerWaalsContact CA-O 3.22Å; C44-L89 WeakPolarHBondContact CA-O 3.37Å |
| 45 | M | 96.5 | Very high | 81.8 | Confident | 18 Ų | 18 | 42 Ų | 42 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117 | 164.3 | -170.1 | 67.2 | 69.3 | 0 | 0 | 108 | Y43 E58 V59 Q60 I88 L89 Y91 | Y43-M45 HydrophobicContact CE2-CE 4.25Å; M45-E58 HydrophobicContact CG-CB 4.47Å; M45-E58 HydrophobicContact SD-CB 4.27Å; M45-E58 HydrophobicContact SD-CG 4.35Å; M45-V59 VanDerWaalsContact SD-C 3.54Å; M45-Q60 HydrophobicContact CE-CB 3.68Å; M45-Q60 HydrophobicContact CE-CG 3.9Å; M45-Q60 HydrophobicContact SD-CB 3.86Å; M45-Q60 PolarHBondContact SD-N 3.45Å; M45-I88 WeakPolarHBondContact O-CA 3.25Å; M45-L89 HydrophobicContact CB-CB 4.27Å; M45-L89 HydrophobicContact CB-CD1 4.34Å; M45-L89 PolarHBondContact N-O 2.98Å; M45-L89 PolarHBondContact O-N 3.24Å; M45-Y91 HydrophobicContact CB-CD2 4.32Å; M45-Y91 HydrophobicContact CB-CE2 3.98Å |
| 46 | I | 97.3 | Very high | 84 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.3 | 175.1 | -54.6 | 177.8 | 0 | 0 | 0 | 107.5 | E58 V59 V61 F76 F78 M86 I88 | I46-E58 CarbonylContact O-C 3.3Å; I46-E58 VanDerWaalsContact O-CA 3.22Å; I46-E58 WeakPolarHBondContact O-CA 3.21Å; I46-V59 PolarHBondContact N-O 3.42Å; I46-V59 PolarHBondContact O-N 3.47Å; I46-V61 HydrophobicContact CD1-CG2 3.98Å; I46-V61 HydrophobicContact CG1-CG2 4.08Å; I46-F76 HydrophobicContact CD1-CD2 3.28Å; I46-F76 HydrophobicContact CD1-CE2 3.42Å; I46-F76 VanDerWaalsContact CD1-CE2 3.42Å; I46-F76 HydrophobicContact CD1-CG 3.88Å; I46-F76 HydrophobicContact CD1-CZ 4.14Å; I46-F78 HydrophobicContact CB-CZ 4.13Å; I46-F78 HydrophobicContact CG2-CE2 3.68Å; I46-F78 HydrophobicContact CG2-CZ 3.55Å; I46-M86 HydrophobicContact CG2-CE 4.48Å; I46-M86 HydrophobicContact CG2-SD 3.45Å; I46-M86 WeakPolarHBondContact CG2-SD 3.3Å; I46-I88 HydrophobicContact CG1-CG1 4.39Å; I46-I88 HydrophobicContact CG1-CG2 4.46Å; I46-I88 HydrophobicContact CG2-CG1 4.47Å |
| 47 | R | 97.6 | Very high | 86.5 | Confident | 56 Ų | 56 | 40 Ų | 40 | 21% | 0.211 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.9 | -175.1 | -177.1 | 178.5 | -70.3 | 168 | -0.9 | 111 | E49 T55 E58 K87 L89 | R47-E49 HydrophobicContact CG-CG 4.11Å; R47-T55 WeakPolarHBondContact CD-OG1 3.22Å; R47-T55 HydrophobicContact CG-CG2 3.76Å; R47-E58 HydrophobicContact CB-CB 4.28Å; R47-E58 HydrophobicContact CG-CB 4.33Å; R47-E58 IonicContact CZ-OE2 2.64Å; R47-E58 VanDerWaalsContact CZ-OE2 3.29Å; R47-E58 IonicContact NE-OE2 2.82Å; R47-E58 PolarHBondContact NE-OE2 2.91Å; R47-E58 IonicContact NH2-OE2 2.97Å; R47-E58 PolarHBondContact NH2-OE2 3.41Å; R47-K87 HydrophobicContact CB-CB 4.46Å; R47-K87 PolarHBondContact N-O 2.99Å; R47-K87 PolarHBondContact O-N 3.27Å; R47-L89 HydrophobicContact CB-CD1 3.95Å |
| 48 | L | 97.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.1 | 170.6 | -179 | 67.2 | 0 | 0 | 0 | 109.1 | V56 D57 F78 V80 C84 M86 | L48-V56 HydrophobicContact CB-CB 4.35Å; L48-V56 HydrophobicContact CD2-CB 3.93Å; L48-V56 HydrophobicContact CD2-CG1 3.86Å; L48-V56 HydrophobicContact CG-CB 4.01Å; L48-V56 HydrophobicContact CG-CG1 4.49Å; L48-V56 HydrophobicContact CG-CG2 4.4Å; L48-V56 PolarHBondContact O-N 3.42Å; L48-D57 PolarHBondContact N-O 3.2Å; L48-F78 HydrophobicContact CB-CD1 4.32Å; L48-F78 HydrophobicContact CD2-CD1 4.47Å; L48-V80 HydrophobicContact CD1-CB 4.29Å; L48-V80 HydrophobicContact CD1-CG1 3.6Å; L48-V80 HydrophobicContact CD2-CG1 3.88Å; L48-V80 HydrophobicContact CG-CG1 4.42Å; L48-C84 HydrophobicContact CD1-CB 3.63Å; L48-C84 HydrophobicContact CG-CB 4.47Å; L48-M86 HydrophobicContact CB-CE 4.27Å; L48-M86 HydrophobicContact CD1-CE 3.87Å |
| 49 | E | 95.5 | Very high | 90.9 | Very high | 15 Ų | 15 | 41 Ų | 41 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.8 | 176.4 | -67.1 | 176.8 | -177.4 | 0 | 0 | 110.8 | R47 D54 C84 Q85 K87 | R47-E49 HydrophobicContact CG-CG 4.11Å; E49-D54 CarbonylContact C-O 3.53Å; E49-D54 VanDerWaalsContact CA-O 3.24Å; E49-D54 WeakPolarHBondContact CA-O 3.43Å; E49-C84 CarbonylContact O-C 3.47Å; E49-C84 VanDerWaalsContact O-CA 3.22Å; E49-C84 WeakPolarHBondContact O-CA 3.46Å; E49-C84 VanDerWaalsContact O-CB 3.28Å; E49-C84 WeakPolarHBondContact O-CB 3.5Å; E49-Q85 PolarHBondContact N-O 3.49Å; E49-Q85 PolarHBondContact O-N 3.36Å; E49-K87 WeakPolarHBondContact OE1-CD 3.38Å; E49-K87 IonicContact OE1-NZ 2.64Å; E49-K87 PolarHBondContact OE1-NZ 2.98Å; E49-K87 WeakPolarHBondContact OE2-CE 3.37Å; E49-K87 IonicContact OE2-NZ 3.62Å; E49-K87 PolarHBondContact OE2-NZ 3.18Å |
| 50 | N | 91.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | trans | -77.3 | -179.4 | 173.7 | 73.2 | 13.2 | 0 | 0 | 0 | 111.1 | N52 G53 D54 V56 | N50-N52 PolarHBondContact O-N 2.84Å; N50-N52 WeakPolarHBondContact OD1-CA 3.28Å; N50-N52 WeakPolarHBondContact OD1-CB 3.11Å; N50-N52 PolarHBondContact OD1-N 3.4Å; N50-G53 PolarHBondContact O-N 3.04Å; N50-G53 VanDerWaalsContact O-N 3.08Å; N50-G53 PolarHBondContact OD1-N 3.5Å; N50-G53 VanDerWaalsContact OD1-N 3.07Å; N50-D54 PolarHBondContact N-O 3.1Å; N50-D54 WeakPolarHBondContact ND2-CB 3.32Å; N50-D54 PolarHBondContact ND2-OD2 3.27Å; N50-D54 PolarHBondContact OD1-N 3.31Å; N50-V56 HydrophobicContact CB-CG2 3.79Å | ||
| 51 | S | 86.8 | Confident | 93.4 | Very high | 94 Ų | 94 | 42.6 Ų | 42.6 | 66% | 0.657 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.9 | 178.5 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 52 | N | 88.2 | Confident | 93.6 | Very high | 128 Ų | 128 | 46.4 Ų | 46.4 | 68% | 0.684 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -9 | 178.1 | -57.4 | -17.3 | 0 | 0 | 0 | 112.1 | N50 D54 | N50-N52 PolarHBondContact O-N 2.84Å; N50-N52 WeakPolarHBondContact OD1-CA 3.28Å; N50-N52 WeakPolarHBondContact OD1-CB 3.11Å; N50-N52 PolarHBondContact OD1-N 3.4Å; N52-D54 WeakPolarHBondContact CB-OD2 3.34Å |
| 53 | G | 87.1 | Confident | 93.6 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 87.8 | 5.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N50 | N50-G53 PolarHBondContact O-N 3.04Å; N50-G53 VanDerWaalsContact O-N 3.08Å; N50-G53 PolarHBondContact OD1-N 3.5Å; N50-G53 VanDerWaalsContact OD1-N 3.07Å |
| 54 | D | 91 | Very high | 93.4 | Very high | 89 Ų | 89 | 49.8 Ų | 49.8 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | trans | -75.3 | 141.9 | 175.3 | -45.3 | -54.6 | 0 | 0 | 0 | 110 | E49 N50 N52 V56 | E49-D54 CarbonylContact C-O 3.53Å; E49-D54 VanDerWaalsContact CA-O 3.24Å; E49-D54 WeakPolarHBondContact CA-O 3.43Å; N50-D54 PolarHBondContact N-O 3.1Å; N50-D54 WeakPolarHBondContact ND2-CB 3.32Å; N50-D54 PolarHBondContact ND2-OD2 3.27Å; N50-D54 PolarHBondContact OD1-N 3.31Å; N52-D54 WeakPolarHBondContact CB-OD2 3.34Å; D54-V56 PolarHBondContact O-N 3.47Å | ||
| 55 | T | 94.8 | Very high | 92.9 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.5 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | R47 E58 | R47-T55 WeakPolarHBondContact CD-OG1 3.22Å; R47-T55 HydrophobicContact CG-CG2 3.76Å; T55-E58 HydrophobicContact CG2-CB 4.39Å |
| 56 | V | 92 | Very high | 92.1 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -45.1 | 176.1 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | Y10 L48 N50 D54 | Y10-V56 HydrophobicContact CD1-CG1 4.17Å; Y10-V56 HydrophobicContact CD2-CG1 4.02Å; Y10-V56 HydrophobicContact CE1-CG1 4.06Å; Y10-V56 HydrophobicContact CE2-CG1 3.91Å; Y10-V56 HydrophobicContact CE2-CG2 4.2Å; Y10-V56 HydrophobicContact CG-CG1 4.14Å; L48-V56 HydrophobicContact CB-CB 4.35Å; L48-V56 HydrophobicContact CD2-CB 3.93Å; L48-V56 HydrophobicContact CD2-CG1 3.86Å; L48-V56 HydrophobicContact CG-CB 4.01Å; L48-V56 HydrophobicContact CG-CG1 4.49Å; L48-V56 HydrophobicContact CG-CG2 4.4Å; L48-V56 PolarHBondContact O-N 3.42Å; N50-V56 HydrophobicContact CB-CG2 3.79Å; D54-V56 PolarHBondContact O-N 3.47Å |
| 57 | D | 95.5 | Very high | 91.4 | Very high | 51 Ų | 51 | 64.6 Ų | 64.6 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 156.4 | 176.4 | -165 | 7.7 | 0 | 0 | 0 | 109.3 | H8 G9 L48 | H8-D57 VanDerWaalsContact CA-OD2 3.31Å; H8-D57 WeakPolarHBondContact CA-OD2 3.48Å; H8-D57 VanDerWaalsContact CB-OD2 3.24Å; H8-D57 WeakPolarHBondContact CB-OD2 3.2Å; H8-D57 IonicContact CG-OD2 3.92Å; H8-D57 IonicContact ND1-OD2 3.6Å; G9-D57 PolarHBondContact N-OD2 3.21Å; L48-D57 PolarHBondContact N-O 3.2Å |
| 58 | E | 95.8 | Very high | 90.8 | Very high | 87 Ų | 87 | 66.5 Ų | 66.5 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 147.1 | 174.1 | 65 | 177.2 | -160.3 | 0 | 0 | 113.2 | M45 I46 R47 T55 | M45-E58 HydrophobicContact CG-CB 4.47Å; M45-E58 HydrophobicContact SD-CB 4.27Å; M45-E58 HydrophobicContact SD-CG 4.35Å; I46-E58 CarbonylContact O-C 3.3Å; I46-E58 VanDerWaalsContact O-CA 3.22Å; I46-E58 WeakPolarHBondContact O-CA 3.21Å; R47-E58 HydrophobicContact CB-CB 4.28Å; R47-E58 HydrophobicContact CG-CB 4.33Å; R47-E58 IonicContact CZ-OE2 2.64Å; R47-E58 VanDerWaalsContact CZ-OE2 3.29Å; R47-E58 IonicContact NE-OE2 2.82Å; R47-E58 PolarHBondContact NE-OE2 2.91Å; R47-E58 IonicContact NH2-OE2 2.97Å; R47-E58 PolarHBondContact NH2-OE2 3.41Å; T55-E58 HydrophobicContact CG2-CB 4.39Å |
| 59 | V | 95.5 | Very high | 90.4 | Very high | 18 Ų | 18 | 70.6 Ų | 70.6 | 11% | 0.109 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 119.3 | -177.2 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | H8 M45 I46 F76 F78 | H8-V59 HydrophobicContact CB-CG2 4.23Å; H8-V59 WeakPolarHBondContact CE1-CG2 3.2Å; H8-V59 WeakPolarHBondContact ND1-CG2 2.89Å; M45-V59 VanDerWaalsContact SD-C 3.54Å; I46-V59 PolarHBondContact N-O 3.42Å; I46-V59 PolarHBondContact O-N 3.47Å; V59-F76 HydrophobicContact CG1-CD1 3.96Å; V59-F76 HydrophobicContact CG1-CE1 3.72Å; V59-F78 HydrophobicContact CB-CZ 4.36Å; V59-F78 HydrophobicContact CG2-CE1 4.08Å; V59-F78 HydrophobicContact CG2-CZ 3.71Å |
| 60 | Q | 95.5 | Very high | 90.3 | Very high | 113 Ų | 113 | 70 Ų | 70 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124.5 | 170 | -170.6 | 172.4 | -30 | 0 | 0 | 110 | Y43 M45 | Y43-Q60 HydrophobicContact CD2-CG 3.79Å; Y43-Q60 HydrophobicContact CE2-CG 4.01Å; M45-Q60 HydrophobicContact CE-CB 3.68Å; M45-Q60 HydrophobicContact CE-CG 3.9Å; M45-Q60 HydrophobicContact SD-CB 3.86Å; M45-Q60 PolarHBondContact SD-N 3.45Å |
| 61 | V | 94.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 72.4 Ų | 72.4 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 150.1 | 172.6 | -169.2 | 0 | 0 | 0 | 0 | 109 | L25 C44 I46 W72 F76 | L25-V61 HydrophobicContact CD2-CB 4.34Å; L25-V61 HydrophobicContact CD2-CG1 4.05Å; L25-V61 HydrophobicContact CD2-CG2 3.91Å; C44-V61 HydrophobicContact CB-CB 4.12Å; C44-V61 HydrophobicContact CB-CG2 3.94Å; C44-V61 WeakPolarHBondContact O-CB 3.18Å; C44-V61 WeakPolarHBondContact O-CG2 3.28Å; C44-V61 PolarHBondContact O-N 2.96Å; I46-V61 HydrophobicContact CD1-CG2 3.98Å; I46-V61 HydrophobicContact CG1-CG2 4.08Å; V61-W72 HydrophobicContact CG1-CB 4.28Å; V61-W72 HydrophobicContact CG1-CG 3.93Å; V61-F76 HydrophobicContact CB-CZ 4.43Å; V61-F76 HydrophobicContact CG1-CZ 4.17Å; V61-F76 HydrophobicContact CG2-CE1 4.49Å; V61-F76 HydrophobicContact CG2-CE2 3.94Å; V61-F76 HydrophobicContact CG2-CZ 3.61Å |
| 62 | E | 90.3 | Very high | 90.8 | Very high | 103 Ų | 103 | 68.5 Ų | 68.5 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 142.4 | 176.8 | 57 | 167.5 | 167.5 | 0 | 0 | 113.7 | K64 W72 | E62-K64 VanDerWaalsContact CD-CE 3.44Å; E62-K64 WeakPolarHBondContact OE1-CE 3.34Å; E62-K64 IonicContact OE1-NZ 3.16Å; E62-K64 PolarHBondContact OE1-NZ 2.81Å; E62-K64 IonicContact OE2-NZ 3.99Å; E62-K64 PolarHBondContact OE2-NZ 3.06Å; E62-W72 PolarHBondContact O-NE1 3.02Å |
| 63 | T | 92.1 | Very high | 91 | Very high | 31 Ų | 31 | 66.6 Ų | 66.6 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 129.4 | 175.1 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | S41 E93 | S41-T63 WeakPolarHBondContact O-CG2 3.16Å; T63-E93 HydrophobicContact CG2-CB 3.82Å; T63-E93 HydrophobicContact CG2-CG 4.43Å; T63-E93 WeakPolarHBondContact CG2-OE2 3.37Å; T63-E93 PolarHBondContact OG1-OE1 2.7Å |
| 64 | K | 90.4 | Very high | 91.3 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 22% | 0.222 | 33% | 0.331 | C | S | . | . | trans | -97.2 | 107.5 | 170.7 | -63.7 | -58.9 | 176.3 | -173.9 | 0 | 109.1 | S41 P42 E62 T67 P70 T71 | S41-K64 CarbonylContact C-O 3.53Å; S41-K64 VanDerWaalsContact CA-O 3.28Å; S41-K64 WeakPolarHBondContact CA-O 3.46Å; P42-K64 WeakPolarHBondContact CD-O 3.5Å; P42-K64 PolarHBondContact O-N 2.8Å; E62-K64 VanDerWaalsContact CD-CE 3.44Å; E62-K64 WeakPolarHBondContact OE1-CE 3.34Å; E62-K64 IonicContact OE1-NZ 3.16Å; E62-K64 PolarHBondContact OE1-NZ 2.81Å; E62-K64 IonicContact OE2-NZ 3.99Å; E62-K64 PolarHBondContact OE2-NZ 3.06Å; K64-T67 HydrophobicContact CB-CG2 3.74Å; K64-P70 HydrophobicContact CB-CB 3.7Å; K64-P70 HydrophobicContact CG-CB 3.87Å; K64-T71 WeakPolarHBondContact CE-O 3.5Å | ||
| 65 | K | 84.7 | Confident | 91.4 | Very high | 148 Ų | 148 | 65.2 Ų | 65.2 | 64% | 0.643 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 138.6 | -176.3 | -64 | -178.5 | -179.3 | 172.8 | 0 | 111.4 | T67 | K65-T67 PolarHBondContact O-N 3.12Š|
| 66 | K | 79.4 | Confident | 91.4 | Very high | 143 Ų | 143 | 63.3 Ų | 63.3 | 62% | 0.622 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 54.4 | 166.1 | -62.5 | -174.6 | -180 | -173.9 | 0 | 113.7 | V39 C40 S41 | V39-K66 HydrophobicContact CB-CB 3.88Å; V39-K66 HydrophobicContact CB-CG 4.49Å; V39-K66 HydrophobicContact CG1-CB 4.35Å; V39-K66 WeakPolarHBondContact CG1-O 3.46Å; V39-K66 WeakPolarHBondContact O-CA 3.37Å; C40-K66 CarbonylContact O-C 3.55Å; C40-K66 VanDerWaalsContact O-CA 3.26Å; C40-K66 WeakPolarHBondContact O-CA 3.4Å; C40-K66 PolarHBondContact O-N 2.74Å; S41-K66 PolarHBondContact OG-N 3.46Å; S41-K66 VanDerWaalsContact OG-N 3.11Å |
| 67 | T | 82.7 | Confident | 91.6 | Very high | 39 Ų | 39 | 61.4 Ų | 61.4 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | trans | -147.4 | 139.4 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 113.3 | C40 P42 K64 K65 N69 P70 | C40-T67 PolarHBondContact O-N 3.48Å; C40-T67 PolarHBondContact SG-O 2.76Å; P42-T67 WeakPolarHBondContact CD-O 3.43Å; P42-T67 HydrophobicContact CG-CG2 4.43Å; P42-T67 VanDerWaalsContact CG-O 3.28Å; P42-T67 WeakPolarHBondContact CG-O 3.16Å; K64-T67 HydrophobicContact CB-CG2 3.74Å; K65-T67 PolarHBondContact O-N 3.12Å; T67-N69 PolarHBondContact OG1-N 3.34Å; T67-N69 VanDerWaalsContact OG1-N 3.12Å; T67-P70 HydrophobicContact CG2-CB 3.83Å | ||
| 68 | R | 85.3 | Confident | 91.6 | Very high | 95 Ų | 95 | 59 Ų | 59 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -92.4 | -7.2 | 171.8 | -64.5 | -177.4 | 63.7 | -147.2 | -4.6 | 113.6 | K30 L31 V39 | K30-R68 PolarHBondContact N-O 2.69Å; L31-R68 PolarHBondContact N-O 2.83Å; L31-R68 PolarHBondContact O-NE 2.83Å; L31-R68 PolarHBondContact O-NH2 2.77Å; V39-R68 HydrophobicContact CG1-CG 4.44Å |
| 69 | N | 90 | Very high | 91.5 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 47% | 0.465 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -128.4 | 59 | 177.5 | -53.3 | -69.8 | 0 | 0 | 0 | 109.4 | G28 T29 K30 T67 | G28-N69 CarbonylContact O-C 3.58Å; G28-N69 WeakPolarHBondContact O-CA 3.39Å; T29-N69 WeakPolarHBondContact CA-OD1 3.45Å; K30-N69 PolarHBondContact N-OD1 3.13Å; T67-N69 PolarHBondContact OG1-N 3.34Å; T67-N69 VanDerWaalsContact OG1-N 3.12Å |
| 70 | P | 93 | Very high | 91.5 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | trans | -60.5 | 139 | -178.6 | 27.5 | -37.5 | 0 | 0 | 0 | 111.2 | R27 G28 L31 P42 K64 T67 W72 | R27-P70 CarbonylContact C-O 3.45Å; R27-P70 WeakPolarHBondContact CA-O 3.32Å; R27-P70 WeakPolarHBondContact CB-O 3.27Å; G28-P70 PolarHBondContact N-O 3.37Å; L31-P70 HydrophobicContact CD1-CG 3.66Å; P42-P70 HydrophobicContact CB-CG 4.23Å; P42-P70 HydrophobicContact CG-CB 3.77Å; P42-P70 HydrophobicContact CG-CG 3.53Å; K64-P70 HydrophobicContact CB-CB 3.7Å; K64-P70 HydrophobicContact CG-CB 3.87Å; T67-P70 HydrophobicContact CG2-CB 3.83Å; P70-W72 HydrophobicContact CB-CD2 4.33Å; P70-W72 HydrophobicContact CB-CE3 4.28Å; P70-W72 HydrophobicContact CB-CH2 3.7Å; P70-W72 HydrophobicContact CB-CZ2 3.7Å; P70-W72 HydrophobicContact CB-CZ3 3.99Å; P70-W72 HydrophobicContact CG-CE3 4.26Å; P70-W72 HydrophobicContact CG-CH2 3.13Å; P70-W72 HydrophobicContact CG-CZ2 3.62Å; P70-W72 HydrophobicContact CG-CZ3 3.5Å | ||
| 71 | T | 94 | Very high | 91.3 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 50% | 0.503 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.6 | 169.3 | -58.8 | 0 | 0 | 0 | 0 | 108.2 | K64 N73 | K64-T71 WeakPolarHBondContact CE-O 3.5Å; T71-N73 HydrophobicContact CG2-CB 4.31Å |
| 72 | W | 94.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 5% | 0.045 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -42.2 | 175.8 | -65.6 | -82.3 | 0 | 0 | 0 | 111.4 | L25 L26 P42 C44 V61 E62 P70 S74 L140 | L25-W72 HydrophobicContact CD1-CE3 3.8Å; L25-W72 HydrophobicContact CD1-CZ3 4.06Å; L25-W72 HydrophobicContact CD2-CB 4.12Å; L25-W72 HydrophobicContact CD2-CD2 3.85Å; L25-W72 HydrophobicContact CD2-CE3 3.9Å; L25-W72 HydrophobicContact CD2-CG 3.96Å; L25-W72 HydrophobicContact CG-CB 4.11Å; L25-W72 HydrophobicContact CG-CD2 4.15Å; L25-W72 HydrophobicContact CG-CE3 3.79Å; L25-W72 HydrophobicContact CG-CG 4.31Å; L26-W72 PolarHBondContact O-N 2.66Å; P42-W72 HydrophobicContact CB-CZ2 4.29Å; C44-W72 WeakPolarHBondContact SG-CH2 3.47Å; V61-W72 HydrophobicContact CG1-CB 4.28Å; V61-W72 HydrophobicContact CG1-CG 3.93Å; E62-W72 PolarHBondContact O-NE1 3.02Å; P70-W72 HydrophobicContact CB-CD2 4.33Å; P70-W72 HydrophobicContact CB-CE3 4.28Å; P70-W72 HydrophobicContact CB-CH2 3.7Å; P70-W72 HydrophobicContact CB-CZ2 3.7Å; P70-W72 HydrophobicContact CB-CZ3 3.99Å; P70-W72 HydrophobicContact CG-CE3 4.26Å; P70-W72 HydrophobicContact CG-CH2 3.13Å; P70-W72 HydrophobicContact CG-CZ2 3.62Å; P70-W72 HydrophobicContact CG-CZ3 3.5Å; W72-S74 PolarHBondContact O-N 2.78Å; W72-S74 PolarHBondContact O-OG 3.27Å; W72-L140 HydrophobicContact CH2-CD2 4.34Å; W72-L140 HydrophobicContact CZ3-CD2 3.94Å |
| 73 | N | 92.6 | Very high | 91.2 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.5 | 42.6 | -176.3 | -168.6 | 41 | 0 | 0 | 0 | 112.9 | R24 L25 L26 T71 | R24-N73 PolarHBondContact NH2-OD1 3.24Å; L25-N73 CarbonylContact O-C 3.49Å; L25-N73 WeakPolarHBondContact O-CA 3.39Å; L25-N73 PolarHBondContact O-N 2.9Å; L25-N73 VanDerWaalsContact O-N 3.12Å; L26-N73 HydrophobicContact CD1-CB 4.28Å; L26-N73 WeakPolarHBondContact CD1-OD1 3.48Å; L26-N73 PolarHBondContact O-N 2.69Å; T71-N73 HydrophobicContact CG2-CB 4.31Å |
| 74 | S | 93.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 51.9 Ų | 51.9 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 148.7 | -176.5 | -46.4 | 0 | 0 | 0 | 0 | 111 | R24 L25 W72 F76 | R24-S74 WeakPolarHBondContact CA-O 3.32Å; L25-S74 PolarHBondContact N-O 3.09Å; L25-S74 PolarHBondContact O-N 2.82Å; W72-S74 PolarHBondContact O-N 2.78Å; W72-S74 PolarHBondContact O-OG 3.27Å; S74-F76 VanDerWaalsContact CB-CE2 3.46Å |
| 75 | V | 93.7 | Very high | 91.4 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 127.5 | 178.6 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | R22 V23 R24 | R22-V75 HydrophobicContact CG-CG1 3.45Å; R22-V75 VanDerWaalsContact CG-CG1 3.45Å; V23-V75 WeakPolarHBondContact O-CA 3.38Å; R24-V75 HydrophobicContact CB-CG2 4.29Å; R24-V75 HydrophobicContact CG-CG2 3.93Å |
| 76 | F | 95.1 | Very high | 92 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 13% | 0.132 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 148.2 | -179.7 | -55.4 | -88.7 | 0 | 0 | 0 | 109.6 | R22 V23 L25 I46 V59 V61 S74 F78 | R22-F76 CarbonylContact C-O 3.55Å; R22-F76 WeakPolarHBondContact CA-O 3.44Å; V23-F76 PolarHBondContact N-O 2.92Å; V23-F76 PolarHBondContact O-N 2.84Å; L25-F76 HydrophobicContact CB-CE2 4.49Å; I46-F76 HydrophobicContact CD1-CD2 3.28Å; I46-F76 HydrophobicContact CD1-CE2 3.42Å; I46-F76 VanDerWaalsContact CD1-CE2 3.42Å; I46-F76 HydrophobicContact CD1-CG 3.88Å; I46-F76 HydrophobicContact CD1-CZ 4.14Å; V59-F76 HydrophobicContact CG1-CD1 3.96Å; V59-F76 HydrophobicContact CG1-CE1 3.72Å; V61-F76 HydrophobicContact CB-CZ 4.43Å; V61-F76 HydrophobicContact CG1-CZ 4.17Å; V61-F76 HydrophobicContact CG2-CE1 4.49Å; V61-F76 HydrophobicContact CG2-CE2 3.94Å; V61-F76 HydrophobicContact CG2-CZ 3.61Å; S74-F76 VanDerWaalsContact CB-CE2 3.46Å; F76-F78 HydrophobicContact CB-CD2 4.18Å; F76-F78 HydrophobicContact CB-CE2 3.62Å; F76-F78 HydrophobicContact CG-CE2 4.47Å |
| 77 | T | 94.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 108.3 | V7 H8 L20 L21 M147 | V7-T77 WeakPolarHBondContact CA-O 3.43Å; V7-T77 HydrophobicContact CG2-CG2 4.24Å; H8-T77 PolarHBondContact N-O 3.26Å; L20-T77 HydrophobicContact CB-CG2 4.25Å; L20-T77 HydrophobicContact CD2-CG2 4.33Å; L21-T77 CarbonylContact O-C 3.55Å; L21-T77 WeakPolarHBondContact O-CA 3.18Å; T77-M147 HydrophobicContact CG2-SD 3.99Å |
| 78 | F | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135 | 178.7 | -72.9 | -98.4 | 0 | 0 | 0 | 109.8 | H8 L20 L21 V23 I46 L48 V59 F76 V80 M86 | H8-F78 HydrophobicContact CB-CD1 3.39Å; H8-F78 HydrophobicContact CB-CD2 4.44Å; H8-F78 HydrophobicContact CB-CE1 3.41Å; H8-F78 VanDerWaalsContact CB-CE1 3.41Å; H8-F78 HydrophobicContact CB-CE2 4.46Å; H8-F78 HydrophobicContact CB-CG 3.94Å; H8-F78 HydrophobicContact CB-CZ 3.98Å; H8-F78 CarbonylContact O-C 3.57Å; H8-F78 VanDerWaalsContact O-CA 3.31Å; H8-F78 WeakPolarHBondContact O-CA 3.27Å; L20-F78 CarbonylContact C-O 3.44Å; L20-F78 WeakPolarHBondContact CA-O 3.27Å; L21-F78 PolarHBondContact N-O 2.83Å; L21-F78 PolarHBondContact O-N 3.21Å; V23-F78 HydrophobicContact CG2-CD2 4.04Å; V23-F78 HydrophobicContact CG2-CE2 4.42Å; I46-F78 HydrophobicContact CB-CZ 4.13Å; I46-F78 HydrophobicContact CG2-CE2 3.68Å; I46-F78 HydrophobicContact CG2-CZ 3.55Å; L48-F78 HydrophobicContact CB-CD1 4.32Å; L48-F78 HydrophobicContact CD2-CD1 4.47Å; V59-F78 HydrophobicContact CB-CZ 4.36Å; V59-F78 HydrophobicContact CG2-CE1 4.08Å; V59-F78 HydrophobicContact CG2-CZ 3.71Å; F76-F78 HydrophobicContact CB-CD2 4.18Å; F76-F78 HydrophobicContact CB-CE2 3.62Å; F76-F78 HydrophobicContact CG-CE2 4.47Å; F78-V80 HydrophobicContact CB-CG1 3.68Å; F78-M86 HydrophobicContact CB-CE 4.2Å; F78-M86 HydrophobicContact CD1-CE 4.06Å; F78-M86 HydrophobicContact CD2-CE 3.91Å; F78-M86 HydrophobicContact CE1-CE 4.42Å; F78-M86 HydrophobicContact CE2-CE 4.28Å; F78-M86 HydrophobicContact CG-CE 3.79Å |
| 79 | R | 94.3 | Very high | 93.9 | Very high | 48 Ų | 48 | 35 Ų | 35 | 18% | 0.181 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 116.9 | 163.7 | -174.5 | 176.5 | -65.2 | 109.6 | -3.6 | 108.3 | V7 H8 Y10 P12 T18 E19 L20 | V7-R79 HydrophobicContact CG1-CB 3.98Å; H8-R79 PolarHBondContact O-N 3.3Å; Y10-R79 PolarHBondContact N-O 3.37Å; Y10-R79 WeakPolarHBondContact O-CB 3.17Å; Y10-R79 VanDerWaalsContact O-CD 3.26Å; Y10-R79 WeakPolarHBondContact O-CD 3.37Å; Y10-R79 PolarHBondContact O-NH1 3.4Å; P12-R79 VanDerWaalsContact CA-CZ 3.42Å; P12-R79 VanDerWaalsContact CD-NH1 3.34Å; T18-R79 HydrophobicContact CG2-CG 3.97Å; T18-R79 WeakPolarHBondContact OG1-CD 3.23Å; E19-R79 WeakPolarHBondContact O-CA 3.22Å; L20-R79 HydrophobicContact CD2-CB 4Å; L20-R79 HydrophobicContact CD2-CG 4.42Å |
| 80 | V | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.2 | -170.2 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | T18 E19 L21 L48 F78 L109 F146 | T18-V80 CarbonylContact C-O 3.58Å; T18-V80 VanDerWaalsContact CA-O 3.29Å; T18-V80 WeakPolarHBondContact CA-O 3.17Å; E19-V80 PolarHBondContact N-O 2.89Å; E19-V80 PolarHBondContact O-N 2.87Å; L21-V80 HydrophobicContact CB-CG1 4.14Å; L21-V80 HydrophobicContact CB-CG2 3.77Å; L21-V80 HydrophobicContact CD2-CG1 4.33Å; L48-V80 HydrophobicContact CD1-CB 4.29Å; L48-V80 HydrophobicContact CD1-CG1 3.6Å; L48-V80 HydrophobicContact CD2-CG1 3.88Å; L48-V80 HydrophobicContact CG-CG1 4.42Å; F78-V80 HydrophobicContact CB-CG1 3.68Å; V80-L109 HydrophobicContact CB-CD1 3.83Å; V80-L109 HydrophobicContact CG1-CD1 4.07Å; V80-L109 HydrophobicContact CG2-CD1 3.78Å; V80-F146 HydrophobicContact CG2-CE1 3.76Å; V80-F146 HydrophobicContact CG2-CZ 4.47Å |
| 81 | T | 92.4 | Very high | 94 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | trans | -96.7 | 156.1 | 160.5 | 69.7 | 0 | 0 | 0 | 0 | 108.9 | Y10 N16 T18 A83 C84 | Y10-T81 HydrophobicContact CD2-CG2 4.21Å; Y10-T81 HydrophobicContact CE2-CG2 3.85Å; N16-T81 HydrophobicContact CB-CG2 3.81Å; T18-T81 HydrophobicContact CG2-CG2 3.88Å; T81-A83 PolarHBondContact O-N 3.4Å; T81-C84 WeakPolarHBondContact O-CB 3.18Å; T81-C84 PolarHBondContact O-N 3.26Å; T81-C84 VanDerWaalsContact O-N 3.07Å; T81-C84 PolarHBondContact OG1-SG 3.09Å | ||
| 82 | R | 90.7 | Very high | 93.7 | Very high | 77 Ų | 77 | 30 Ų | 30 | 29% | 0.291 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.7 | 177.2 | -68.3 | -68.3 | -178.4 | 148 | -2.6 | 113.3 | E19 C84 N110 F146 | E19-R82 IonicContact OE1-CZ 2.73Å; E19-R82 IonicContact OE1-NE 3.2Å; E19-R82 PolarHBondContact OE1-NE 3.05Å; E19-R82 IonicContact OE1-NH2 3.82Å; E19-R82 PolarHBondContact OE1-NH2 2.95Å; E19-R82 IonicContact OE2-CZ 2.99Å; E19-R82 IonicContact OE2-NE 2.92Å; E19-R82 IonicContact OE2-NH2 2.67Å; E19-R82 PolarHBondContact OE2-NH2 3.03Å; R82-C84 PolarHBondContact O-N 2.88Å; R82-N110 WeakPolarHBondContact O-CB 3.39Å; R82-N110 PolarHBondContact O-N 3.44Å; R82-F146 VanDerWaalsContact CZ-CZ 3.45Å |
| 83 | A | 90.6 | Very high | 93.1 | Very high | 63 Ų | 63 | 32.4 Ų | 32.4 | 52% | 0.521 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T81 | T81-A83 PolarHBondContact O-N 3.4Š|
| 84 | C | 94 | Very high | 92.2 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | trans | -75.6 | 161.7 | -178.7 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | L48 E49 T81 R82 L109 | L48-C84 HydrophobicContact CD1-CB 3.63Å; L48-C84 HydrophobicContact CG-CB 4.47Å; E49-C84 CarbonylContact O-C 3.47Å; E49-C84 VanDerWaalsContact O-CA 3.22Å; E49-C84 WeakPolarHBondContact O-CA 3.46Å; E49-C84 VanDerWaalsContact O-CB 3.28Å; E49-C84 WeakPolarHBondContact O-CB 3.5Å; T81-C84 WeakPolarHBondContact O-CB 3.18Å; T81-C84 PolarHBondContact O-N 3.26Å; T81-C84 VanDerWaalsContact O-N 3.07Å; T81-C84 PolarHBondContact OG1-SG 3.09Å; R82-C84 PolarHBondContact O-N 2.88Å; C84-L109 HydrophobicContact CB-CD1 3.99Å; C84-L109 WeakPolarHBondContact O-CG 3.36Å; C84-L109 PolarHBondContact O-N 2.99Å | ||
| 85 | Q | 94.3 | Very high | 90.5 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 28% | 0.28 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.1 | 170 | -170.7 | 173.5 | 48 | 0 | 0 | 110 | E49 S106 | E49-Q85 PolarHBondContact N-O 3.49Å; E49-Q85 PolarHBondContact O-N 3.36Å; Q85-S106 WeakPolarHBondContact CG-OG 3.38Å; Q85-S106 PolarHBondContact NE2-OG 2.96Å |
| 86 | M | 95.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.3 | 174.7 | -175.2 | 58.2 | 71.2 | 0 | 0 | 109.7 | L21 V23 I46 L48 F78 I88 S106 R107 L109 F144 | L21-M86 HydrophobicContact CD2-CE 4.17Å; V23-M86 HydrophobicContact CG2-CE 4.22Å; I46-M86 HydrophobicContact CG2-CE 4.48Å; I46-M86 HydrophobicContact CG2-SD 3.45Å; I46-M86 WeakPolarHBondContact CG2-SD 3.3Å; L48-M86 HydrophobicContact CB-CE 4.27Å; L48-M86 HydrophobicContact CD1-CE 3.87Å; F78-M86 HydrophobicContact CB-CE 4.2Å; F78-M86 HydrophobicContact CD1-CE 4.06Å; F78-M86 HydrophobicContact CD2-CE 3.91Å; F78-M86 HydrophobicContact CE1-CE 4.42Å; F78-M86 HydrophobicContact CE2-CE 4.28Å; F78-M86 HydrophobicContact CG-CE 3.79Å; M86-I88 HydrophobicContact CG-CD1 3.97Å; M86-S106 CarbonylContact O-C 3.5Å; M86-S106 WeakPolarHBondContact O-CA 3.29Å; M86-R107 PolarHBondContact N-O 3.26Å; M86-R107 PolarHBondContact O-N 2.88Å; M86-L109 HydrophobicContact CB-CD2 4.26Å; M86-F144 HydrophobicContact CB-CE1 4.47Å; M86-F144 HydrophobicContact CG-CE1 3.88Å |
| 87 | K | 96 | Very high | 86.4 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 20% | 0.204 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.1 | 175.4 | -72.3 | -174.2 | -173 | 157.5 | 0 | 110.7 | R47 E49 L89 V105 | R47-K87 HydrophobicContact CB-CB 4.46Å; R47-K87 PolarHBondContact N-O 2.99Å; R47-K87 PolarHBondContact O-N 3.27Å; E49-K87 WeakPolarHBondContact OE1-CD 3.38Å; E49-K87 IonicContact OE1-NZ 2.64Å; E49-K87 PolarHBondContact OE1-NZ 2.98Å; E49-K87 WeakPolarHBondContact OE2-CE 3.37Å; E49-K87 IonicContact OE2-NZ 3.62Å; E49-K87 PolarHBondContact OE2-NZ 3.18Å; K87-L89 HydrophobicContact CB-CD1 4.17Å; K87-V105 CarbonylContact C-O 3.56Å; K87-V105 WeakPolarHBondContact CA-O 3.24Å |
| 88 | I | 97.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 103.4 | 173.1 | -57 | 83.6 | 0 | 0 | 0 | 106.5 | C44 M45 I46 M86 F104 V105 L140 L142 F144 | C44-I88 HydrophobicContact CB-CG2 4.15Å; M45-I88 WeakPolarHBondContact O-CA 3.25Å; I46-I88 HydrophobicContact CG1-CG1 4.39Å; I46-I88 HydrophobicContact CG1-CG2 4.46Å; I46-I88 HydrophobicContact CG2-CG1 4.47Å; M86-I88 HydrophobicContact CG-CD1 3.97Å; I88-F104 CarbonylContact O-C 3.49Å; I88-F104 WeakPolarHBondContact O-CA 3.42Å; I88-V105 PolarHBondContact N-O 2.69Å; I88-V105 PolarHBondContact O-N 3.41Å; I88-L140 HydrophobicContact CB-CD1 4.21Å; I88-L140 HydrophobicContact CG2-CD1 3.59Å; I88-L142 HydrophobicContact CD1-CD1 4.02Å; I88-L142 HydrophobicContact CG1-CD1 4.27Å; I88-F144 HydrophobicContact CD1-CE1 4.07Å; I88-F144 HydrophobicContact CD1-CZ 3.72Å |
| 89 | L | 95.6 | Very high | 84.4 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 136.4 | 179.4 | -56.2 | 97.5 | 0 | 0 | 0 | 109.2 | C44 M45 R47 K87 Y91 L101 F104 | C44-L89 CarbonylContact C-O 3.6Å; C44-L89 VanDerWaalsContact CA-O 3.22Å; C44-L89 WeakPolarHBondContact CA-O 3.37Å; M45-L89 HydrophobicContact CB-CB 4.27Å; M45-L89 HydrophobicContact CB-CD1 4.34Å; M45-L89 PolarHBondContact N-O 2.98Å; M45-L89 PolarHBondContact O-N 3.24Å; R47-L89 HydrophobicContact CB-CD1 3.95Å; K87-L89 HydrophobicContact CB-CD1 4.17Å; L89-Y91 HydrophobicContact CB-CD2 4.22Å; L89-Y91 HydrophobicContact CB-CE2 3.59Å; L89-Y91 HydrophobicContact CD2-CE2 4.36Å; L89-L101 HydrophobicContact CB-CD1 3.82Å; L89-L101 HydrophobicContact CD2-CD1 3.95Å; L89-L101 HydrophobicContact CG-CD1 4.42Å; L89-F104 HydrophobicContact CG-CB 4.23Å |
| 90 | V | 93.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | L31 P42 M102 G103 L126 L140 | L31-V90 HydrophobicContact CD1-CG1 4.03Å; L31-V90 HydrophobicContact CD2-CG1 4.33Å; P42-V90 HydrophobicContact CB-CG1 4.3Å; V90-M102 HydrophobicContact CB-CB 4.43Å; V90-M102 HydrophobicContact CG1-CB 4.35Å; V90-M102 HydrophobicContact CG1-SD 3.99Å; V90-M102 WeakPolarHBondContact O-CB 3.45Å; V90-M102 PolarHBondContact O-N 3.42Å; V90-G103 PolarHBondContact N-O 2.91Å; V90-G103 PolarHBondContact O-N 2.79Å; V90-L126 HydrophobicContact CG2-CD1 4.23Å; V90-L126 HydrophobicContact CG2-CD2 3.75Å; V90-L140 HydrophobicContact CG2-CD1 3.72Å; V90-L140 HydrophobicContact CG2-CD2 3.97Å; V90-L140 HydrophobicContact CG2-CG 4.11Å |
| 91 | Y | 91.5 | Very high | 83.2 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 151 | 178.6 | -70.7 | -87.8 | 0 | 0 | 0 | 110.7 | P42 Y43 M45 L89 D99 V100 L101 | P42-Y91 WeakPolarHBondContact CA-O 3.24Å; Y43-Y91 VanDerWaalsContact CE1-CB 3.42Å; Y43-Y91 HydrophobicContact CE1-CG 4.3Å; Y43-Y91 AromaticContact CE2-CD2 3.78Å; Y43-Y91 HydrophobicContact CE2-CD2 3.78Å; Y43-Y91 HydrophobicContact CE2-CG 4.08Å; Y43-Y91 AromaticContact CZ-CD2 3.96Å; Y43-Y91 AromaticContact CZ-CG 3.78Å; Y43-Y91 PolarHBondContact N-O 2.68Å; Y43-Y91 PolarHBondContact O-N 3.11Å; M45-Y91 HydrophobicContact CB-CD2 4.32Å; M45-Y91 HydrophobicContact CB-CE2 3.98Å; L89-Y91 HydrophobicContact CB-CD2 4.22Å; L89-Y91 HydrophobicContact CB-CE2 3.59Å; L89-Y91 HydrophobicContact CD2-CE2 4.36Å; Y91-D99 HydrophobicContact CD1-CB 4.14Å; Y91-V100 CarbonylContact C-O 3.24Å; Y91-V100 WeakPolarHBondContact CA-O 3.45Å; Y91-L101 HydrophobicContact CD1-CB 4.11Å; Y91-L101 HydrophobicContact CD1-CD1 4.3Å; Y91-L101 HydrophobicContact CD2-CD1 4.48Å; Y91-L101 HydrophobicContact CE1-CB 3.78Å; Y91-L101 HydrophobicContact CE1-CD1 3.91Å; Y91-L101 HydrophobicContact CE1-CG 4.43Å; Y91-L101 HydrophobicContact CE2-CD1 4.13Å |
| 92 | D | 86.2 | Confident | 82.9 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.6 | 162 | -160.8 | -0.5 | 0 | 0 | 0 | 108.8 | C40 S41 N94 V100 M102 | C40-D92 WeakPolarHBondContact CA-OD1 3.32Å; C40-D92 WeakPolarHBondContact CB-OD1 3.32Å; C40-D92 VanDerWaalsContact CB-OD2 3.24Å; C40-D92 WeakPolarHBondContact CB-OD2 3.41Å; S41-D92 PolarHBondContact N-OD1 3.49Å; D92-N94 PolarHBondContact O-N 2.98Å; D92-V100 PolarHBondContact N-O 2.69Å; D92-V100 PolarHBondContact O-N 3.43Å; D92-M102 HydrophobicContact CB-CG 4.14Å; D92-M102 HydrophobicContact CB-SD 4.11Å |
| 93 | E | 82.5 | Confident | 82.9 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 29% | 0.29 | 26% | 0.26 | S | S | . | . | trans | -66.7 | 122.9 | 178.8 | -176.5 | -176.3 | -127.1 | 0 | 0 | 110.2 | S41 Y43 T63 D99 | S41-E93 WeakPolarHBondContact O-CB 3.26Å; S41-E93 PolarHBondContact O-N 2.76Å; S41-E93 VanDerWaalsContact O-N 3.09Å; Y43-E93 HydrophobicContact CD1-CB 3.99Å; Y43-E93 HydrophobicContact CE1-CB 4.15Å; T63-E93 HydrophobicContact CG2-CB 3.82Å; T63-E93 HydrophobicContact CG2-CG 4.43Å; T63-E93 WeakPolarHBondContact CG2-OE2 3.37Å; T63-E93 PolarHBondContact OG1-OE1 2.7Å; E93-D99 WeakPolarHBondContact CA-OD1 3.09Å | ||
| 94 | N | 72.9 | Confident | 83 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | trans | -120.5 | 130.5 | 174.5 | -161.5 | -45.6 | 0 | 0 | 0 | 110.4 | D92 L96 R97 D99 | D92-N94 PolarHBondContact O-N 2.98Å; N94-L96 PolarHBondContact OD1-N 3.05Å; N94-L96 VanDerWaalsContact OD1-N 3.12Å; N94-R97 PolarHBondContact OD1-N 3.12Å; N94-D99 PolarHBondContact N-OD1 3.23Å | ||
| 95 | R | 58.2 | Low | 83 | Confident | 187 Ų | 187 | 53.8 Ų | 53.8 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -77.9 | -18.7 | -176.3 | -69.1 | -176.4 | 175.4 | -173.8 | -4.3 | 114.1 | ||
| 96 | L | 45.8 | Very low | 83 | Confident | 99 Ų | 99 | 52.2 Ų | 52.2 | 52% | 0.518 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -122.5 | -22.8 | -169.3 | -60.9 | 159.5 | 0 | 0 | 0 | 113.2 | N94 Y451 | N94-L96 PolarHBondContact OD1-N 3.05Å; N94-L96 VanDerWaalsContact OD1-N 3.12Å; L96-Y451 HydrophobicContact CD1-CD1 3.67Å; L96-Y451 HydrophobicContact CD1-CD2 3.36Å; L96-Y451 HydrophobicContact CD1-CE1 3.53Å; L96-Y451 HydrophobicContact CD1-CE2 3.22Å; L96-Y451 HydrophobicContact CD1-CG 3.6Å; L96-Y451 HydrophobicContact CD2-CE1 4.32Å; L96-Y451 HydrophobicContact CD2-CE2 3.97Å; L96-Y451 VanDerWaalsContact CD2-OH 3.27Å; L96-Y451 WeakPolarHBondContact CD2-OH 3.33Å; L96-Y451 HydrophobicContact CG-CE1 4.34Å; L96-Y451 HydrophobicContact CG-CE2 4.2Å |
| 97 | R | 56.3 | Low | 82.8 | Confident | 129 Ų | 129 | 54.1 Ų | 54.1 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -120.9 | 168.9 | 179.9 | -50.2 | -168.4 | -149.1 | -158.9 | 9.3 | 109.1 | N94 D99 D398 | N94-R97 PolarHBondContact OD1-N 3.12Å; R97-D99 PolarHBondContact O-N 2.99Å; R97-D398 PolarHBondContact NH1-O 2.61Å |
| 98 | K | 69.2 | Low | 82.7 | Confident | 195 Ų | 195 | 55.3 Ų | 55.3 | 85% | 0.848 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -60 | 135.3 | 171.1 | -171.3 | 174.4 | -178.4 | 175.5 | 0 | 110 | V100 | K98-V100 PolarHBondContact O-N 3.03Š|
| 99 | D | 80.2 | Confident | 82.4 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 136.5 | 176.3 | -67 | -18.7 | 0 | 0 | 0 | 111.5 | Y43 Y91 E93 N94 R97 | Y43-D99 HydrophobicContact CE1-CB 4.27Å; Y43-D99 VanDerWaalsContact CE1-OD2 3.23Å; Y43-D99 WeakPolarHBondContact CE1-OD2 3.26Å; Y43-D99 VanDerWaalsContact CZ-OD2 3.28Å; Y43-D99 PolarHBondContact OH-OD2 3.31Å; Y91-D99 HydrophobicContact CD1-CB 4.14Å; E93-D99 WeakPolarHBondContact CA-OD1 3.09Å; N94-D99 PolarHBondContact N-OD1 3.23Å; R97-D99 PolarHBondContact O-N 2.99Å |
| 100 | V | 77.8 | Confident | 82 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.4 | -172.6 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | Y91 D92 K98 M102 | Y91-V100 CarbonylContact C-O 3.24Å; Y91-V100 WeakPolarHBondContact CA-O 3.45Å; D92-V100 PolarHBondContact N-O 2.69Å; D92-V100 PolarHBondContact O-N 3.43Å; K98-V100 PolarHBondContact O-N 3.03Å; V100-M102 PolarHBondContact O-N 3.1Å; V100-M102 VanDerWaalsContact O-N 3.15Å |
| 101 | L | 86.9 | Confident | 81.5 | Confident | 56 Ų | 56 | 63 Ų | 63 | 29% | 0.293 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 111.3 | 173.2 | -178.8 | 67.4 | 0 | 0 | 0 | 110.1 | L89 Y91 | L89-L101 HydrophobicContact CB-CD1 3.82Å; L89-L101 HydrophobicContact CD2-CD1 3.95Å; L89-L101 HydrophobicContact CG-CD1 4.42Å; Y91-L101 HydrophobicContact CD1-CB 4.11Å; Y91-L101 HydrophobicContact CD1-CD1 4.3Å; Y91-L101 HydrophobicContact CD2-CD1 4.48Å; Y91-L101 HydrophobicContact CE1-CB 3.78Å; Y91-L101 HydrophobicContact CE1-CD1 3.91Å; Y91-L101 HydrophobicContact CE1-CG 4.43Å; Y91-L101 HydrophobicContact CE2-CD1 4.13Å |
| 102 | M | 85 | Confident | 80.9 | Confident | 19 Ų | 19 | 64.3 Ų | 64.3 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -37.9 | 178.2 | -56.8 | -176.9 | 76.5 | 0 | 0 | 111.6 | L31 G32 C40 P42 V90 D92 V100 | L31-M102 HydrophobicContact CB-CE 3.76Å; G32-M102 VanDerWaalsContact O-CE 3.25Å; G32-M102 WeakPolarHBondContact O-CE 3.3Å; C40-M102 HydrophobicContact CB-CE 4.16Å; C40-M102 HydrophobicContact CB-SD 4.48Å; P42-M102 HydrophobicContact CB-SD 4.47Å; V90-M102 HydrophobicContact CB-CB 4.43Å; V90-M102 HydrophobicContact CG1-CB 4.35Å; V90-M102 HydrophobicContact CG1-SD 3.99Å; V90-M102 WeakPolarHBondContact O-CB 3.45Å; V90-M102 PolarHBondContact O-N 3.42Å; D92-M102 HydrophobicContact CB-CG 4.14Å; D92-M102 HydrophobicContact CB-SD 4.11Å; V100-M102 PolarHBondContact O-N 3.1Å; V100-M102 VanDerWaalsContact O-N 3.15Å |
| 103 | G | 90.3 | Very high | 80.7 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | 179.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V90 Q127 | V90-G103 PolarHBondContact N-O 2.91Å; V90-G103 PolarHBondContact O-N 2.79Å; G103-Q127 VanDerWaalsContact CA-O 3.26Å; G103-Q127 WeakPolarHBondContact CA-O 3.44Å |
| 104 | F | 93.8 | Very high | 80.9 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 18% | 0.18 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.1 | 178.3 | 64.3 | -86.1 | 0 | 0 | 0 | 112.4 | I88 L89 Q127 | I88-F104 CarbonylContact O-C 3.49Å; I88-F104 WeakPolarHBondContact O-CA 3.42Å; L89-F104 HydrophobicContact CG-CB 4.23Å; F104-Q127 WeakPolarHBondContact CD1-O 3.5Å; F104-Q127 HydrophobicContact CD2-CB 4.35Å; F104-Q127 HydrophobicContact CE1-CB 4.12Å; F104-Q127 HydrophobicContact CE2-CB 3.93Å; F104-Q127 HydrophobicContact CZ-CB 3.8Å; F104-Q127 PolarHBondContact N-O 2.79Å; F104-Q127 PolarHBondContact O-N 2.68Å |
| 105 | V | 94.4 | Very high | 81.4 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136.3 | 163.4 | 177.7 | 0 | 0 | 0 | 0 | 107.6 | K87 I88 Y124 L126 L140 L142 | K87-V105 CarbonylContact C-O 3.56Å; K87-V105 WeakPolarHBondContact CA-O 3.24Å; I88-V105 PolarHBondContact N-O 2.69Å; I88-V105 PolarHBondContact O-N 3.41Å; V105-Y124 HydrophobicContact CG1-CD1 3.67Å; V105-Y124 HydrophobicContact CG1-CG 3.95Å; V105-L126 HydrophobicContact CG2-CD2 3.89Å; V105-L140 HydrophobicContact CG2-CB 4.31Å; V105-L140 HydrophobicContact CG2-CD1 4.03Å; V105-L140 HydrophobicContact CG2-CG 4.37Å; V105-L142 HydrophobicContact CB-CD1 4.12Å; V105-L142 HydrophobicContact CG1-CD1 3.98Å; V105-L142 HydrophobicContact CG2-CD1 4.21Å |
| 106 | S | 93.8 | Very high | 82.6 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.3 | 175.3 | -170.4 | 0 | 0 | 0 | 0 | 110.5 | Q85 M86 | Q85-S106 WeakPolarHBondContact CG-OG 3.38Å; Q85-S106 PolarHBondContact NE2-OG 2.96Å; M86-S106 CarbonylContact O-C 3.5Å; M86-S106 WeakPolarHBondContact O-CA 3.29Å |
| 107 | R | 92.2 | Very high | 84.2 | Confident | 40 Ų | 40 | 66 Ų | 66 | 15% | 0.151 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 120.6 | -178.4 | -171.4 | 69.4 | -171.8 | -145 | 3.3 | 111 | M86 D111 I114 Y124 F144 | M86-R107 PolarHBondContact N-O 3.26Å; M86-R107 PolarHBondContact O-N 2.88Å; R107-D111 IonicContact CZ-OD2 2.68Å; R107-D111 IonicContact NE-OD2 3.47Å; R107-D111 PolarHBondContact NE-OD2 2.96Å; R107-D111 IonicContact NH2-OD1 2.83Å; R107-D111 IonicContact NH2-OD2 3.66Å; R107-D111 PolarHBondContact NH2-OD2 2.94Å; R107-I114 HydrophobicContact CG-CD1 4.25Å; R107-Y124 PolarHBondContact NH1-OH 2.65Å; R107-Y124 VanDerWaalsContact NH1-OH 3.15Å; R107-F144 HydrophobicContact CB-CE2 4.5Å; R107-F144 HydrophobicContact CB-CZ 4.33Å; R107-F144 HydrophobicContact CG-CD2 4.47Å; R107-F144 HydrophobicContact CG-CE2 4.45Å |
| 108 | T | 92.6 | Very high | 85.3 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 134.4 | 171.2 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 109 | L | 91.7 | Very high | 86 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -11.3 | -172.7 | -56.4 | -176.1 | 0 | 0 | 0 | 114.6 | L21 V80 C84 M86 I114 F146 | L21-L109 HydrophobicContact CD2-CD1 3.97Å; L21-L109 HydrophobicContact CD2-CD2 3.68Å; V80-L109 HydrophobicContact CB-CD1 3.83Å; V80-L109 HydrophobicContact CG1-CD1 4.07Å; V80-L109 HydrophobicContact CG2-CD1 3.78Å; C84-L109 HydrophobicContact CB-CD1 3.99Å; C84-L109 WeakPolarHBondContact O-CG 3.36Å; C84-L109 PolarHBondContact O-N 2.99Å; M86-L109 HydrophobicContact CB-CD2 4.26Å; L109-I114 HydrophobicContact CD2-CD1 3.57Å; L109-F146 HydrophobicContact CB-CZ 4.45Å |
| 110 | N | 86.9 | Confident | 86.3 | Confident | 115 Ų | 115 | 60.5 Ų | 60.5 | 62% | 0.615 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 13.6 | 179 | -156.6 | 21.1 | 0 | 0 | 0 | 114.4 | R82 G112 | R82-N110 WeakPolarHBondContact O-CB 3.39Å; R82-N110 PolarHBondContact O-N 3.44Å; N110-G112 VanDerWaalsContact C-N 3.26Å; N110-G112 PolarHBondContact O-N 3.27Å |
| 111 | D | 83.5 | Confident | 87 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -78.8 | -7 | -174.1 | 65 | 7.8 | 0 | 0 | 0 | 114.1 | R107 L113 | R107-D111 IonicContact CZ-OD2 2.68Å; R107-D111 IonicContact NE-OD2 3.47Å; R107-D111 PolarHBondContact NE-OD2 2.96Å; R107-D111 IonicContact NH2-OD1 2.83Å; R107-D111 IonicContact NH2-OD2 3.66Å; R107-D111 PolarHBondContact NH2-OD2 2.94Å; D111-L113 HydrophobicContact CB-CD1 4.31Å; D111-L113 HydrophobicContact CB-CG 4.31Å; D111-L113 PolarHBondContact O-N 3.23Å; D111-L113 WeakPolarHBondContact OD1-CB 3.3Å; D111-L113 PolarHBondContact OD1-N 2.98Å |
| 112 | G | 78.6 | Confident | 87.2 | Confident | 67 Ų | 67 | 62.1 Ų | 62.1 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 69.1 | 3.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N110 | N110-G112 VanDerWaalsContact C-N 3.26Å; N110-G112 PolarHBondContact O-N 3.27Å |
| 113 | L | 82.8 | Confident | 87.7 | Confident | 122 Ų | 122 | 66.9 Ų | 66.9 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | trans | -91.7 | -16.7 | -177.6 | -64.1 | 174.7 | 0 | 0 | 0 | 112.6 | D111 | D111-L113 HydrophobicContact CB-CD1 4.31Å; D111-L113 HydrophobicContact CB-CG 4.31Å; D111-L113 PolarHBondContact O-N 3.23Å; D111-L113 WeakPolarHBondContact OD1-CB 3.3Å; D111-L113 PolarHBondContact OD1-N 2.98Å | ||
| 114 | I | 85.6 | Confident | 87.9 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 7% | 0.072 | 39% | 0.386 | C | S | . | . | trans | -86.1 | 113.5 | 178.3 | -56.1 | 176.9 | 0 | 0 | 0 | 109.6 | L21 R107 L109 F144 F146 | L21-I114 HydrophobicContact CD1-CG2 4.02Å; R107-I114 HydrophobicContact CG-CD1 4.25Å; L109-I114 HydrophobicContact CD2-CD1 3.57Å; I114-F144 HydrophobicContact CD1-CB 4.15Å; I114-F144 HydrophobicContact CG1-CB 4.34Å; I114-F144 HydrophobicContact CG2-CB 4.06Å; I114-F146 HydrophobicContact CB-CD2 4.06Å; I114-F146 HydrophobicContact CB-CE2 3.78Å; I114-F146 HydrophobicContact CD1-CE2 4.38Å; I114-F146 HydrophobicContact CG2-CD2 3.52Å; I114-F146 HydrophobicContact CG2-CE2 3.57Å | ||
| 115 | T | 83.9 | Confident | 87.8 | Confident | 77 Ų | 77 | 69.9 Ų | 69.9 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | trans | -86.3 | 172.5 | -177.7 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | Q117 H145 F146 | T115-Q117 PolarHBondContact OG1-O 3.37Å; T115-H145 CarbonylContact O-C 3.14Å; T115-H145 VanDerWaalsContact O-CA 3.23Å; T115-H145 WeakPolarHBondContact O-CA 3.49Å; T115-H145 VanDerWaalsContact O-CB 3.28Å; T115-H145 WeakPolarHBondContact O-CB 3.3Å; T115-F146 PolarHBondContact O-N 2.87Å | ||
| 116 | T | 82.4 | Confident | 87.6 | Confident | 88 Ų | 88 | 70.4 Ų | 70.4 | 54% | 0.54 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -88.4 | -18.8 | 170.2 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | F146 | T116-F146 VanDerWaalsContact CA-O 3.24Å; T116-F146 WeakPolarHBondContact CA-O 3.39Å; T116-F146 HydrophobicContact CG2-CB 4.31Å |
| 117 | Q | 80.2 | Confident | 87.3 | Confident | 159 Ų | 159 | 74.1 Ų | 74.1 | 74% | 0.743 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -79.7 | 136.7 | 170.6 | -63.6 | -176.6 | 7.3 | 0 | 0 | 109.3 | T115 P119 | T115-Q117 PolarHBondContact OG1-O 3.37Å; Q117-P119 WeakPolarHBondContact O-CD 3.17Å |
| 118 | A | 80.2 | Confident | 86.6 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | trans | -71.7 | 109.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 119 | P | 84.2 | Confident | 85.3 | Confident | 45 Ų | 45 | 73.7 Ų | 73.7 | 29% | 0.292 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 163.8 | 179.4 | 32.8 | -29.9 | 0 | 0 | 0 | 110.7 | Q117 | Q117-P119 WeakPolarHBondContact O-CD 3.17Š|
| 120 | N | 86.4 | Confident | 83.4 | Confident | 141 Ų | 141 | 76.8 Ų | 76.8 | 75% | 0.754 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 145.7 | 166.4 | -72.9 | -38 | 0 | 0 | 0 | 109.8 | E122 | N120-E122 PolarHBondContact O-N 2.89Š|
| 121 | P | 91.2 | Very high | 81.1 | Confident | 26 Ų | 26 | 76.2 Ų | 76.2 | 17% | 0.169 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 125.3 | 174.7 | -27.5 | 37.1 | 0 | 0 | 0 | 112.4 | L26 F141 L142 | L26-P121 HydrophobicContact CB-CB 4.15Å; L26-P121 HydrophobicContact CB-CG 4.16Å; L26-P121 HydrophobicContact CD2-CB 4.11Å; L26-P121 HydrophobicContact CD2-CG 4.1Å; P121-F141 HydrophobicContact CB-CB 4.28Å; P121-L142 CarbonylContact C-O 3.57Å; P121-L142 WeakPolarHBondContact CA-O 3.18Å |
| 122 | E | 92.7 | Very high | 79.2 | Confident | 114 Ų | 114 | 77.3 Ų | 77.3 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 158.9 | 178.7 | -64 | -179.5 | 165.4 | 0 | 0 | 110.7 | N120 Y124 F141 L142 | N120-E122 PolarHBondContact O-N 2.89Å; E122-Y124 HydrophobicContact CB-CE2 4Å; E122-Y124 VanDerWaalsContact O-CD2 3.3Å; E122-Y124 WeakPolarHBondContact O-CD2 3.36Å; E122-F141 CarbonylContact O-C 3.55Å; E122-F141 VanDerWaalsContact O-CA 3.27Å; E122-F141 WeakPolarHBondContact O-CA 3.24Å; E122-L142 PolarHBondContact N-O 3.16Å; E122-L142 PolarHBondContact O-N 3.42Å |
| 123 | E | 94.5 | Very high | 77.3 | Confident | 119 Ų | 119 | 84.2 Ų | 84.2 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.2 | 179 | -171.6 | 177.6 | 175.8 | 0 | 0 | 111.5 | S139 F141 | E123-S139 VanDerWaalsContact CG-CB 3.48Å; E123-S139 WeakPolarHBondContact OE1-CB 3.5Å; E123-S139 PolarHBondContact OE1-OG 3.29Å; E123-F141 HydrophobicContact CB-CD1 4.49Å; E123-F141 HydrophobicContact CB-CE1 3.99Å; E123-F141 HydrophobicContact CB-CE2 4.38Å; E123-F141 HydrophobicContact CB-CZ 3.91Å; E123-F141 HydrophobicContact CG-CE2 4.06Å; E123-F141 HydrophobicContact CG-CZ 3.95Å |
| 124 | Y | 93.8 | Very high | 75.6 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 14% | 0.137 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 115.4 | 174.7 | -70.4 | -99.8 | 0 | 0 | 0 | 109.6 | V105 R107 E122 S139 L140 L142 F144 | V105-Y124 HydrophobicContact CG1-CD1 3.67Å; V105-Y124 HydrophobicContact CG1-CG 3.95Å; R107-Y124 PolarHBondContact NH1-OH 2.65Å; R107-Y124 VanDerWaalsContact NH1-OH 3.15Å; E122-Y124 HydrophobicContact CB-CE2 4Å; E122-Y124 VanDerWaalsContact O-CD2 3.3Å; E122-Y124 WeakPolarHBondContact O-CD2 3.36Å; Y124-S139 CarbonylContact O-C 3.46Å; Y124-S139 WeakPolarHBondContact O-CA 3.4Å; Y124-S139 WeakPolarHBondContact O-CB 3.46Å; Y124-L140 PolarHBondContact N-O 3.03Å; Y124-L140 PolarHBondContact O-N 2.77Å; Y124-L142 HydrophobicContact CD2-CB 3.79Å; Y124-L142 HydrophobicContact CD2-CD1 4.21Å; Y124-L142 HydrophobicContact CD2-CG 4.22Å; Y124-L142 HydrophobicContact CE2-CB 3.94Å; Y124-L142 HydrophobicContact CG-CD1 4.3Å; Y124-F144 HydrophobicContact CE1-CE2 4.4Å; Y124-F144 HydrophobicContact CE2-CE2 4.29Å |
| 125 | A | 91.8 | Very high | 74.3 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 137.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 126 | L | 91.2 | Very high | 73.5 | Confident | 15 Ų | 15 | 91 Ų | 91 | 8% | 0.079 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 136.3 | 177.6 | -71.5 | 171.1 | 0 | 0 | 0 | 111.4 | L31 V90 V105 I137 G138 L140 | L31-L126 HydrophobicContact CD2-CD1 3.48Å; L31-L126 VanDerWaalsContact CD2-CD1 3.48Å; V90-L126 HydrophobicContact CG2-CD1 4.23Å; V90-L126 HydrophobicContact CG2-CD2 3.75Å; V105-L126 HydrophobicContact CG2-CD2 3.89Å; L126-I137 HydrophobicContact CB-CD1 3.71Å; L126-I137 HydrophobicContact CB-CG1 3.81Å; L126-I137 WeakPolarHBondContact O-CG1 3.29Å; L126-G138 WeakPolarHBondContact CB-O 3.39Å; L126-G138 PolarHBondContact N-O 2.89Å; L126-L140 HydrophobicContact CD2-CD1 4.17Å; L126-L140 HydrophobicContact CD2-CG 4.08Å |
| 127 | Q | 87.9 | Confident | 73.4 | Confident | 104 Ų | 104 | 88.2 Ų | 88.2 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | B | Isolated β-bridge | trans | -91.5 | 140.6 | 171.8 | -59.4 | 179.1 | 11.2 | 0 | 0 | 109.7 | G103 F104 | G103-Q127 VanDerWaalsContact CA-O 3.26Å; G103-Q127 WeakPolarHBondContact CA-O 3.44Å; F104-Q127 WeakPolarHBondContact CD1-O 3.5Å; F104-Q127 HydrophobicContact CD2-CB 4.35Å; F104-Q127 HydrophobicContact CE1-CB 4.12Å; F104-Q127 HydrophobicContact CE2-CB 3.93Å; F104-Q127 HydrophobicContact CZ-CB 3.8Å; F104-Q127 PolarHBondContact N-O 2.79Å; F104-Q127 PolarHBondContact O-N 2.68Å |
| 128 | S | 76.8 | Confident | 73.9 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 30% | 0.301 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 135.4 | 176.8 | -167.3 | 0 | 0 | 0 | 0 | 110.4 | T130 | S128-T130 PolarHBondContact O-N 2.99Å; S128-T130 PolarHBondContact OG-N 2.73Å; S128-T130 PolarHBondContact OG-O 2.81Å; S128-T130 PolarHBondContact OG-OG1 2.9Å |
| 129 | G | 64.2 | Low | 74.5 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 63% | 0.629 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -72.6 | -15.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 130 | T | 51.9 | Low | 75.1 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 40% | 0.399 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -111 | 142.6 | -179.5 | 56 | 0 | 0 | 0 | 0 | 110.3 | R34 S128 S132 | R34-T130 PolarHBondContact NH2-OG1 2.83Å; S128-T130 PolarHBondContact O-N 2.99Å; S128-T130 PolarHBondContact OG-N 2.73Å; S128-T130 PolarHBondContact OG-O 2.81Å; S128-T130 PolarHBondContact OG-OG1 2.9Å; T130-S132 PolarHBondContact O-N 3.32Å |
| 131 | A | 39.4 | Very low | 75.6 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 86% | 0.86 | 43% | 0.425 | S | S | * | . | trans | -66.2 | 30.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | K133 | A131-K133 VanDerWaalsContact C-N 3.32Å; A131-K133 PolarHBondContact O-N 2.81Å | ||
| 132 | S | 43.9 | Very low | 75.9 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 58% | 0.58 | 42% | 0.417 | S | S | * | . | trans | -77.8 | 79.3 | 171.4 | -53 | 0 | 0 | 0 | 0 | 110.4 | T130 G134 | T130-S132 PolarHBondContact O-N 3.32Å; S132-G134 PolarHBondContact O-N 2.92Å | ||
| 133 | K | 38.6 | Very low | 75.9 | Confident | 212 Ų | 212 | 64.1 Ų | 64.1 | 92% | 0.922 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 123.6 | 175.3 | -73.3 | -177.9 | 176.3 | 178 | 0 | 111 | A131 | A131-K133 VanDerWaalsContact C-N 3.32Å; A131-K133 PolarHBondContact O-N 2.81Å |
| 134 | G | 47.2 | Very low | 75.9 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 88% | 0.876 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.2 | -4.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | S132 | S132-G134 PolarHBondContact O-N 2.92Š|
| 135 | K | 58.2 | Low | 75.8 | Confident | 171 Ų | 171 | 57.9 Ų | 57.9 | 74% | 0.743 | 37% | 0.365 | S | S | * | . | trans | -99.6 | 124.4 | 176.6 | -159.6 | 171.7 | -175.5 | 178.7 | 0 | 110.5 | I137 | K135-I137 PolarHBondContact O-N 3.42Š| ||
| 136 | S | 65.8 | Low | 75.9 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 69% | 0.692 | 34% | 0.338 | S | S | * | . | trans | -60.9 | 120.3 | 171.8 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 137 | I | 82 | Confident | 75.7 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | trans | -102.6 | 13.8 | -179.9 | 50.2 | 159.9 | 0 | 0 | 0 | 112.9 | G32 L126 K135 | G32-I137 PolarHBondContact N-O 2.92Å; L126-I137 HydrophobicContact CB-CD1 3.71Å; L126-I137 HydrophobicContact CB-CG1 3.81Å; L126-I137 WeakPolarHBondContact O-CG1 3.29Å; K135-I137 PolarHBondContact O-N 3.42Å | ||
| 138 | G | 89.2 | Confident | 75.3 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | trans | 101.6 | 178.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T29 K30 L126 | T29-G138 CarbonylContact O-C 3.58Å; T29-G138 VanDerWaalsContact O-CA 3.23Å; T29-G138 WeakPolarHBondContact O-CA 3.18Å; K30-G138 WeakPolarHBondContact O-CA 3.43Å; K30-G138 PolarHBondContact O-N 2.84Å; L126-G138 WeakPolarHBondContact CB-O 3.39Å; L126-G138 PolarHBondContact N-O 2.89Å | ||
| 139 | S | 93.7 | Very high | 74.9 | Confident | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 151.8 | -176.5 | -48.7 | 0 | 0 | 0 | 0 | 111.2 | G28 T29 E123 Y124 | G28-S139 CarbonylContact C-O 3.45Å; G28-S139 WeakPolarHBondContact CA-O 3.42Å; T29-S139 PolarHBondContact N-O 2.93Å; T29-S139 PolarHBondContact O-N 3.18Å; E123-S139 VanDerWaalsContact CG-CB 3.48Å; E123-S139 WeakPolarHBondContact OE1-CB 3.5Å; E123-S139 PolarHBondContact OE1-OG 3.29Å; Y124-S139 CarbonylContact O-C 3.46Å; Y124-S139 WeakPolarHBondContact O-CA 3.4Å; Y124-S139 WeakPolarHBondContact O-CB 3.46Å |
| 140 | L | 96.9 | Very high | 74.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 144.6 | 168.5 | -65.8 | -179.1 | 0 | 0 | 0 | 110.7 | L25 W72 I88 V90 V105 Y124 L126 L142 | L25-L140 HydrophobicContact CD1-CD2 4.41Å; W72-L140 HydrophobicContact CH2-CD2 4.34Å; W72-L140 HydrophobicContact CZ3-CD2 3.94Å; I88-L140 HydrophobicContact CB-CD1 4.21Å; I88-L140 HydrophobicContact CG2-CD1 3.59Å; V90-L140 HydrophobicContact CG2-CD1 3.72Å; V90-L140 HydrophobicContact CG2-CD2 3.97Å; V90-L140 HydrophobicContact CG2-CG 4.11Å; V105-L140 HydrophobicContact CG2-CB 4.31Å; V105-L140 HydrophobicContact CG2-CD1 4.03Å; V105-L140 HydrophobicContact CG2-CG 4.37Å; Y124-L140 PolarHBondContact N-O 3.03Å; Y124-L140 PolarHBondContact O-N 2.77Å; L126-L140 HydrophobicContact CD2-CD1 4.17Å; L126-L140 HydrophobicContact CD2-CG 4.08Å; L140-L142 HydrophobicContact CB-CD1 4.01Å; L140-L142 HydrophobicContact CB-CD2 4.1Å; L140-L142 HydrophobicContact CB-CG 3.83Å; L140-L142 HydrophobicContact CD1-CD1 4.26Å; L140-L142 HydrophobicContact CD1-CD2 4.42Å |
| 141 | F | 96.8 | Very high | 73.5 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 108 | 171.2 | -76.3 | -102.1 | 0 | 0 | 0 | 109.3 | L26 R27 T29 P121 E122 E123 | L26-F141 HydrophobicContact CB-CB 4.12Å; L26-F141 WeakPolarHBondContact CB-O 3.36Å; L26-F141 HydrophobicContact CD2-CB 4.34Å; L26-F141 PolarHBondContact N-O 3.32Å; R27-F141 HydrophobicContact CG-CB 3.92Å; R27-F141 HydrophobicContact CG-CD2 3.85Å; R27-F141 HydrophobicContact CG-CG 4.03Å; R27-F141 VanDerWaalsContact NH2-CZ 3.31Å; R27-F141 PolarHBondContact O-N 3.4Å; T29-F141 HydrophobicContact CG2-CD2 3.95Å; T29-F141 HydrophobicContact CG2-CE2 3.49Å; T29-F141 VanDerWaalsContact CG2-CE2 3.49Å; P121-F141 HydrophobicContact CB-CB 4.28Å; E122-F141 CarbonylContact O-C 3.55Å; E122-F141 VanDerWaalsContact O-CA 3.27Å; E122-F141 WeakPolarHBondContact O-CA 3.24Å; E123-F141 HydrophobicContact CB-CD1 4.49Å; E123-F141 HydrophobicContact CB-CE1 3.99Å; E123-F141 HydrophobicContact CB-CE2 4.38Å; E123-F141 HydrophobicContact CB-CZ 3.91Å; E123-F141 HydrophobicContact CG-CE2 4.06Å; E123-F141 HydrophobicContact CG-CZ 3.95Å |
| 142 | L | 96.4 | Very high | 73 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.5 | -170.2 | -54.7 | 173.7 | 0 | 0 | 0 | 111.1 | R24 L25 I88 V105 P121 E122 Y124 L140 F144 | R24-L142 VanDerWaalsContact O-CA 3.3Å; R24-L142 WeakPolarHBondContact O-CA 3.27Å; L25-L142 HydrophobicContact CB-CD2 4.2Å; L25-L142 HydrophobicContact CD1-CD2 3.39Å; L25-L142 HydrophobicContact CG-CD2 4.39Å; I88-L142 HydrophobicContact CD1-CD1 4.02Å; I88-L142 HydrophobicContact CG1-CD1 4.27Å; V105-L142 HydrophobicContact CB-CD1 4.12Å; V105-L142 HydrophobicContact CG1-CD1 3.98Å; V105-L142 HydrophobicContact CG2-CD1 4.21Å; P121-L142 CarbonylContact C-O 3.57Å; P121-L142 WeakPolarHBondContact CA-O 3.18Å; E122-L142 PolarHBondContact N-O 3.16Å; E122-L142 PolarHBondContact O-N 3.42Å; Y124-L142 HydrophobicContact CD2-CB 3.79Å; Y124-L142 HydrophobicContact CD2-CD1 4.21Å; Y124-L142 HydrophobicContact CD2-CG 4.22Å; Y124-L142 HydrophobicContact CE2-CB 3.94Å; Y124-L142 HydrophobicContact CG-CD1 4.3Å; L140-L142 HydrophobicContact CB-CD1 4.01Å; L140-L142 HydrophobicContact CB-CD2 4.1Å; L140-L142 HydrophobicContact CB-CG 3.83Å; L140-L142 HydrophobicContact CD1-CD1 4.26Å; L140-L142 HydrophobicContact CD1-CD2 4.42Å; L142-F144 HydrophobicContact CB-CE2 3.86Å; L142-F144 HydrophobicContact CB-CZ 4.22Å; L142-F144 HydrophobicContact CD1-CE2 4.27Å; L142-F144 HydrophobicContact CD1-CZ 4.07Å |
| 143 | S | 93.8 | Very high | 72.2 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 4% | 0.035 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.7 | 164.3 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | R24 | R24-S143 WeakPolarHBondContact CB-OG 3.46Å; R24-S143 PolarHBondContact N-O 2.65Å; R24-S143 PolarHBondContact O-N 3.48Å; R24-S143 VanDerWaalsContact O-N 3.1Å |
| 144 | F | 94.5 | Very high | 71.4 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.035 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.9 | 175.7 | -55.8 | -91.1 | 0 | 0 | 0 | 108.1 | L21 R22 V23 M86 I88 R107 I114 Y124 L142 | L21-F144 HydrophobicContact CD1-CB 4.31Å; L21-F144 HydrophobicContact CD2-CD1 4.41Å; R22-F144 WeakPolarHBondContact O-CA 3.18Å; V23-F144 HydrophobicContact CB-CD1 4.47Å; V23-F144 HydrophobicContact CB-CE1 4.47Å; V23-F144 HydrophobicContact CG1-CD1 4.13Å; V23-F144 HydrophobicContact CG1-CE1 3.72Å; V23-F144 HydrophobicContact CG1-CZ 4.44Å; V23-F144 HydrophobicContact CG2-CD1 3.92Å; V23-F144 HydrophobicContact CG2-CE1 4.08Å; M86-F144 HydrophobicContact CB-CE1 4.47Å; M86-F144 HydrophobicContact CG-CE1 3.88Å; I88-F144 HydrophobicContact CD1-CE1 4.07Å; I88-F144 HydrophobicContact CD1-CZ 3.72Å; R107-F144 HydrophobicContact CB-CE2 4.5Å; R107-F144 HydrophobicContact CB-CZ 4.33Å; R107-F144 HydrophobicContact CG-CD2 4.47Å; R107-F144 HydrophobicContact CG-CE2 4.45Å; I114-F144 HydrophobicContact CD1-CB 4.15Å; I114-F144 HydrophobicContact CG1-CB 4.34Å; I114-F144 HydrophobicContact CG2-CB 4.06Å; Y124-F144 HydrophobicContact CE1-CE2 4.4Å; Y124-F144 HydrophobicContact CE2-CE2 4.29Å; L142-F144 HydrophobicContact CB-CE2 3.86Å; L142-F144 HydrophobicContact CB-CZ 4.22Å; L142-F144 HydrophobicContact CD1-CE2 4.27Å; L142-F144 HydrophobicContact CD1-CZ 4.07Å |
| 145 | H | 92 | Very high | 70.7 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 7% | 0.069 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 145 | 167.7 | 62.2 | -77.6 | 0 | 0 | 0 | 110.9 | R22 T115 | R22-H145 WeakPolarHBondContact CD-CE1 3.45Å; R22-H145 PolarHBondContact N-O 3.13Å; R22-H145 PolarHBondContact O-N 2.93Å; R22-H145 VanDerWaalsContact O-N 3.12Å; T115-H145 CarbonylContact O-C 3.14Å; T115-H145 VanDerWaalsContact O-CA 3.23Å; T115-H145 WeakPolarHBondContact O-CA 3.49Å; T115-H145 VanDerWaalsContact O-CB 3.28Å; T115-H145 WeakPolarHBondContact O-CB 3.3Å |
| 146 | F | 92.5 | Very high | 69.1 | Low | 1 Ų | 1 | 62.7 Ų | 62.7 | 0% | 0.004 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.3 | 171.9 | -73 | -76.7 | 0 | 0 | 0 | 109.6 | E19 L20 L21 V80 R82 L109 I114 T115 T116 | E19-F146 HydrophobicContact CB-CD1 3.8Å; E19-F146 HydrophobicContact CB-CE1 4.03Å; L20-F146 CarbonylContact O-C 3.44Å; L20-F146 WeakPolarHBondContact O-CA 3.42Å; L21-F146 HydrophobicContact CB-CD1 4.35Å; L21-F146 HydrophobicContact CB-CE1 4.17Å; L21-F146 HydrophobicContact CD1-CD1 4.15Å; L21-F146 HydrophobicContact CD1-CD2 4.38Å; L21-F146 HydrophobicContact CD1-CE1 3.97Å; L21-F146 HydrophobicContact CD1-CE2 4.18Å; L21-F146 HydrophobicContact CD1-CG 4.36Å; L21-F146 HydrophobicContact CD1-CZ 3.99Å; V80-F146 HydrophobicContact CG2-CE1 3.76Å; V80-F146 HydrophobicContact CG2-CZ 4.47Å; R82-F146 VanDerWaalsContact CZ-CZ 3.45Å; L109-F146 HydrophobicContact CB-CZ 4.45Å; I114-F146 HydrophobicContact CB-CD2 4.06Å; I114-F146 HydrophobicContact CB-CE2 3.78Å; I114-F146 HydrophobicContact CD1-CE2 4.38Å; I114-F146 HydrophobicContact CG2-CD2 3.52Å; I114-F146 HydrophobicContact CG2-CE2 3.57Å; T115-F146 PolarHBondContact O-N 2.87Å; T116-F146 VanDerWaalsContact CA-O 3.24Å; T116-F146 WeakPolarHBondContact CA-O 3.39Å; T116-F146 HydrophobicContact CG2-CB 4.31Å |
| 147 | M | 87.2 | Confident | 67.1 | Low | 60 Ų | 60 | 64.2 Ų | 64.2 | 30% | 0.296 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -74 | 136.2 | 172.1 | -64.6 | -176.2 | 59.8 | 0 | 0 | 108.8 | L20 R22 T77 S149 | L20-M147 HydrophobicContact CB-CB 4.1Å; L20-M147 HydrophobicContact CB-CG 4.35Å; L20-M147 HydrophobicContact CB-SD 4.29Å; L20-M147 HydrophobicContact CD1-SD 4.47Å; L20-M147 PolarHBondContact O-N 3.36Å; R22-M147 HydrophobicContact CB-CG 4.32Å; T77-M147 HydrophobicContact CG2-SD 3.99Å; M147-S149 PolarHBondContact O-N 3.28Å |
| 148 | P | 81.2 | Confident | 64.4 | Low | 95 Ų | 95 | 68.8 Ų | 68.8 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 134.2 | 171.2 | 19.3 | -23.5 | 0 | 0 | 0 | 109 | S150 | P148-S150 PolarHBondContact O-N 3.15Š|
| 149 | S | 68 | Low | 61.3 | Low | 120 Ų | 120 | 73.8 Ų | 73.8 | 84% | 0.839 | 46% | 0.46 | S | S | * | . | trans | -61.6 | 97.9 | 170.5 | 53.4 | 0 | 0 | 0 | 0 | 108.2 | M147 S151 | M147-S149 PolarHBondContact O-N 3.28Å; S149-S151 PolarHBondContact O-N 2.9Å | ||
| 150 | S | 52.9 | Low | 58 | Low | 114 Ų | 114 | 77.6 Ų | 77.6 | 80% | 0.797 | 49% | 0.492 | S | S | * | . | trans | -70.5 | 101.4 | 178.5 | 48 | 0 | 0 | 0 | 0 | 109.5 | P148 | P148-S150 PolarHBondContact O-N 3.15Š| ||
| 151 | S | 34 | Very low | 54.5 | Low | 104 Ų | 104 | 85.2 Ų | 85.2 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | trans | -61.1 | 123 | 146.6 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | S149 | S149-S151 PolarHBondContact O-N 2.9Š| ||
| 152 | D | 28 | Very low | 51.3 | Low | 141 Ų | 141 | 92.2 Ų | 92.2 | 75% | 0.754 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 41.7 | 104.8 | 157.3 | -60.6 | -25.8 | 0 | 0 | 0 | 119.4 | ||
| 153 | N | 27.4 | Very low | 47.9 | Very low | 158 Ų | 158 | 101.3 Ų | 101.3 | 85% | 0.845 | 61% | 0.613 | S | S | * | * | 162.6 | 105.6 | 117.2 | -86 | -33.2 | 0 | 0 | 0 | 112.9 | |||||
| 154 | S | 21.9 | Very low | 44.6 | Very low | 104 Ų | 104 | 110.2 Ų | 110.2 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | -54.6 | 150.5 | 141.6 | 43.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 155 | P | 32.3 | Very low | 41.5 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | -155 | 171.2 | 59 | 39.9 | -17.9 | 0 | 0 | 0 | 119.1 | |||||
| 156 | S | 24.2 | Very low | 38.5 | Very low | 104 Ų | 104 | 121.1 Ų | 121.1 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 63.4 | 110.9 | 144 | 61.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 157 | D | 24.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 91.2 | 116 | 60.9 | -157.1 | 24.5 | 0 | 0 | 0 | 112.1 | |||||
| 158 | S | 25.7 | Very low | 34 | Very low | 127 Ų | 127 | 127 Ų | 127 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -172.1 | 99 | 161.6 | -76.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 159 | T | 23.4 | Very low | 33.1 | Very low | 106 Ų | 106 | 125 Ų | 125 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | -77.1 | 141.8 | 172.7 | 43.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 160 | A | 24.9 | Very low | 33 | Very low | 89 Ų | 89 | 122 Ų | 122 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -149.5 | 118.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 161 | D | 23.8 | Very low | 33.5 | Very low | 160 Ų | 160 | 126.2 Ų | 126.2 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | 49.8 | 103.7 | 145.5 | -54.2 | -24.9 | 0 | 0 | 0 | 121 | ||||
| 162 | L | 29.9 | Very low | 35 | Very low | 179 Ų | 179 | 122.7 Ų | 122.7 | 94% | 0.937 | 74% | 0.738 | S | S | * | * | trans | -126.7 | 123.4 | 153.9 | -87.7 | 164.7 | 0 | 0 | 0 | 109.8 | ||||
| 163 | Q | 24.3 | Very low | 37 | Very low | 192 Ų | 192 | 118.5 Ų | 118.5 | 90% | 0.897 | 71% | 0.711 | S | S | * | * | trans | -66.9 | 140.9 | -179.2 | -81.8 | 164.8 | -31 | 0 | 0 | 112.3 | ||||
| 164 | Q | 24.5 | Very low | 39.5 | Very low | 193 Ų | 193 | 114 Ų | 114 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | trans | -58 | 125.8 | 171.3 | -77 | 164.7 | -37.9 | 0 | 0 | 111.8 | ||||
| 165 | T | 28.9 | Very low | 41.9 | Very low | 140 Ų | 140 | 113.9 Ų | 113.9 | 86% | 0.859 | 67% | 0.673 | S | S | * | * | trans | -92.4 | 109.4 | 155.8 | 52.6 | 0 | 0 | 0 | 0 | 108.3 | S167 | T165-S167 PolarHBondContact O-N 3.43Š| ||
| 166 | S | 29.1 | Very low | 44.1 | Very low | 111 Ų | 111 | 114.9 Ų | 114.9 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | trans | -84.5 | 95 | 178.7 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 167 | S | 39.1 | Very low | 45.9 | Very low | 90 Ų | 90 | 116.4 Ų | 116.4 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | trans | -164.9 | 121.6 | 151.3 | -17.4 | 0 | 0 | 0 | 0 | 108 | T165 M169 | T165-S167 PolarHBondContact O-N 3.43Å; S167-M169 PolarHBondContact O-N 3.43Å | ||
| 168 | G | 46.5 | Very low | 47.8 | Very low | 94 Ų | 94 | 112.6 Ų | 112.6 | 97% | 0.969 | 64% | 0.638 | S | S | * | * | trans | -73.2 | 52.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 169 | M | 63.1 | Low | 48.9 | Very low | 53 Ų | 53 | 110.8 Ų | 110.8 | 26% | 0.261 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -83.3 | 138.8 | 179 | -76.2 | -80.6 | -87.5 | 0 | 0 | 111 | S167 W173 E175 Y185 | S167-M169 PolarHBondContact O-N 3.43Å; M169-W173 HydrophobicContact CE-CB 3.59Å; M169-W173 HydrophobicContact SD-CB 4.41Å; M169-E175 HydrophobicContact CE-CB 4.14Å; M169-Y185 HydrophobicContact CE-CD1 3.92Å; M169-Y185 HydrophobicContact SD-CD1 4.31Å |
| 170 | P | 64.2 | Low | 50.4 | Low | 59 Ų | 59 | 111.9 Ų | 111.9 | 38% | 0.383 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -62 | 151 | 173.6 | -18.1 | 30 | 0 | 0 | 0 | 111.9 | G172 W173 P198 | P170-G172 PolarHBondContact O-N 2.89Å; P170-W173 WeakPolarHBondContact O-CB 3.47Å; P170-W173 PolarHBondContact O-N 3.05Å; P170-W173 VanDerWaalsContact O-N 3.07Å; P170-P198 HydrophobicContact CG-CG 4.4Å |
| 171 | Q | 63.6 | Low | 51.6 | Low | 202 Ų | 202 | 110 Ų | 110 | 94% | 0.944 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 128.8 | -179.9 | -172.5 | 173.1 | 7.4 | 0 | 0 | 111.1 | ||
| 172 | G | 65.4 | Low | 53.2 | Low | 30 Ų | 30 | 109.7 Ų | 109.7 | 31% | 0.309 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 93.4 | -0.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P170 N187 H188 | P170-G172 PolarHBondContact O-N 2.89Å; G172-N187 CarbonylContact O-C 3.51Å; G172-H188 WeakPolarHBondContact O-CB 3.39Å; G172-H188 PolarHBondContact O-N 3Å |
| 173 | W | 71.5 | Confident | 55.1 | Low | 52 Ų | 52 | 103.4 Ų | 103.4 | 20% | 0.197 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.5 | 173 | -69.2 | 82.3 | 0 | 0 | 0 | 112.5 | M169 P170 V186 N187 Q194 P198 | M169-W173 HydrophobicContact CE-CB 3.59Å; M169-W173 HydrophobicContact SD-CB 4.41Å; P170-W173 WeakPolarHBondContact O-CB 3.47Å; P170-W173 PolarHBondContact O-N 3.05Å; P170-W173 VanDerWaalsContact O-N 3.07Å; W173-V186 CarbonylContact C-O 3.59Å; W173-V186 WeakPolarHBondContact CA-O 3.33Å; W173-N187 HydrophobicContact CD2-CB 3.82Å; W173-N187 HydrophobicContact CE3-CB 3.75Å; W173-N187 HydrophobicContact CH2-CB 3.73Å; W173-N187 HydrophobicContact CZ2-CB 3.79Å; W173-N187 WeakPolarHBondContact CZ2-ND2 3.21Å; W173-N187 HydrophobicContact CZ3-CB 3.7Å; W173-N187 PolarHBondContact NE1-ND2 2.84Å; W173-Q194 HydrophobicContact CH2-CG 4.28Å; W173-Q194 HydrophobicContact CZ3-CG 3.92Å; W173-P198 HydrophobicContact CD2-CB 4.23Å; W173-P198 HydrophobicContact CD2-CG 3.87Å; W173-P198 HydrophobicContact CE3-CB 4.46Å; W173-P198 HydrophobicContact CE3-CG 4.02Å; W173-P198 HydrophobicContact CG-CG 4.27Å; W173-P198 HydrophobicContact CH2-CB 4.09Å; W173-P198 HydrophobicContact CZ2-CB 3.83Å; W173-P198 HydrophobicContact CZ2-CG 4.38Å; W173-P198 HydrophobicContact CZ3-CB 4.4Å; W173-P198 HydrophobicContact CZ3-CG 4.35Å |
| 174 | E | 78.5 | Confident | 57.3 | Low | 65 Ų | 65 | 95 Ų | 95 | 30% | 0.304 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.9 | 174.6 | 177.7 | -171.8 | 159.2 | 0 | 0 | 108.9 | R176 Y185 V186 H188 | E174-R176 IonicContact OE1-CZ 2.75Å; E174-R176 IonicContact OE1-NE 3.65Å; E174-R176 PolarHBondContact OE1-NE 2.84Å; E174-R176 VanDerWaalsContact OE1-NE 3.15Å; E174-R176 IonicContact OE1-NH2 2.81Å; E174-R176 PolarHBondContact OE1-NH2 3.09Å; E174-R176 IonicContact OE2-NH2 2.6Å; E174-R176 PolarHBondContact OE2-NH2 2.98Å; E174-Y185 CarbonylContact O-C 3.57Å; E174-Y185 WeakPolarHBondContact O-CA 3.27Å; E174-V186 HydrophobicContact CB-CB 4.3Å; E174-V186 PolarHBondContact N-O 3.41Å; E174-V186 PolarHBondContact O-N 3.23Å; E174-H188 WeakPolarHBondContact CB-NE2 3.21Å; E174-H188 IonicContact OE2-CD2 3.83Å; E174-H188 IonicContact OE2-CE1 2.94Å; E174-H188 PolarHBondContact OE2-CE1 2.84Å; E174-H188 IonicContact OE2-NE2 2.6Å; E174-H188 PolarHBondContact OE2-NE2 3.14Å |
| 175 | E | 73.6 | Confident | 59.7 | Low | 101 Ų | 101 | 87.3 Ų | 87.3 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.4 | 171.8 | -177.6 | 175.8 | 165.7 | 0 | 0 | 109 | M169 T183 Y185 | M169-E175 HydrophobicContact CE-CB 4.14Å; E175-T183 HydrophobicContact CG-CG2 3.51Å; E175-T183 WeakPolarHBondContact OE1-CG2 3.47Å; E175-Y185 HydrophobicContact CB-CD1 4.09Å; E175-Y185 HydrophobicContact CB-CE1 4.11Å; E175-Y185 HydrophobicContact CG-CD1 4.02Å; E175-Y185 HydrophobicContact CG-CE1 3.66Å |
| 176 | R | 77.8 | Confident | 61.6 | Low | 134 Ų | 134 | 81.7 Ų | 81.7 | 51% | 0.506 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 157.5 | -178.4 | -162.9 | 178 | -71.9 | 178.5 | -1.3 | 110.6 | E174 T183 V184 V186 | E174-R176 IonicContact OE1-CZ 2.75Å; E174-R176 IonicContact OE1-NE 3.65Å; E174-R176 PolarHBondContact OE1-NE 2.84Å; E174-R176 VanDerWaalsContact OE1-NE 3.15Å; E174-R176 IonicContact OE1-NH2 2.81Å; E174-R176 PolarHBondContact OE1-NH2 3.09Å; E174-R176 IonicContact OE2-NH2 2.6Å; E174-R176 PolarHBondContact OE2-NH2 2.98Å; R176-T183 CarbonylContact O-C 3.56Å; R176-T183 WeakPolarHBondContact O-CA 3.48Å; R176-V184 PolarHBondContact N-O 2.85Å; R176-V184 PolarHBondContact O-N 3.5Å; R176-V184 VanDerWaalsContact O-O 3.13Å; R176-V186 HydrophobicContact CB-CG2 4.34Å |
| 177 | E | 61.3 | Low | 63.5 | Low | 136 Ų | 136 | 76.9 Ų | 76.9 | 64% | 0.636 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.1 | 168.6 | -68.1 | 178.9 | 177.7 | 0 | 0 | 110.4 | R182 | E177-R182 CarbonylContact C-O 3.54Å; E177-R182 VanDerWaalsContact CA-O 3.32Å; E177-R182 WeakPolarHBondContact CA-O 3.33Å |
| 178 | D | 64.6 | Low | 64.4 | Low | 52 Ų | 52 | 77.2 Ų | 77.2 | 28% | 0.278 | 43% | 0.433 | S | S | . | . | trans | -78 | 174.8 | 172.3 | 73.4 | 10.4 | 0 | 0 | 0 | 112.1 | N180 G181 R182 V184 | D178-N180 PolarHBondContact O-N 3.44Å; D178-N180 WeakPolarHBondContact OD1-CA 3.5Å; D178-N180 PolarHBondContact OD1-N 2.93Å; D178-G181 PolarHBondContact O-N 2.91Å; D178-G181 PolarHBondContact OD1-N 3.47Å; D178-G181 VanDerWaalsContact OD1-N 3.16Å; D178-R182 PolarHBondContact N-O 3.44Å; D178-R182 WeakPolarHBondContact OD1-CB 3.42Å; D178-R182 PolarHBondContact OD1-N 3.28Å; D178-V184 HydrophobicContact CB-CG2 4.13Å | ||
| 179 | G | 49.2 | Very low | 65 | Low | 89 Ų | 89 | 76.8 Ų | 76.8 | 92% | 0.918 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -9.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 180 | N | 55 | Low | 64.6 | Low | 129 Ų | 129 | 78.3 Ų | 78.3 | 69% | 0.69 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 9.1 | 175.6 | -65.9 | -21.2 | 0 | 0 | 0 | 112.3 | D178 | D178-N180 PolarHBondContact O-N 3.44Å; D178-N180 WeakPolarHBondContact OD1-CA 3.5Å; D178-N180 PolarHBondContact OD1-N 2.93Å |
| 181 | G | 48.8 | Very low | 64 | Low | 49 Ų | 49 | 84.6 Ų | 84.6 | 51% | 0.505 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 75.6 | 19.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D178 | D178-G181 PolarHBondContact O-N 2.91Å; D178-G181 PolarHBondContact OD1-N 3.47Å; D178-G181 VanDerWaalsContact OD1-N 3.16Å |
| 182 | R | 57.5 | Low | 63.7 | Low | 153 Ų | 153 | 76.3 Ų | 76.3 | 58% | 0.577 | 41% | 0.408 | S | S | * | . | trans | -92.8 | 136.3 | 177.6 | -54.4 | 179 | -171.1 | -178.5 | 4.3 | 110.5 | E177 D178 | E177-R182 CarbonylContact C-O 3.54Å; E177-R182 VanDerWaalsContact CA-O 3.32Å; E177-R182 WeakPolarHBondContact CA-O 3.33Å; D178-R182 PolarHBondContact N-O 3.44Å; D178-R182 WeakPolarHBondContact OD1-CB 3.42Å; D178-R182 PolarHBondContact OD1-N 3.28Å | ||
| 183 | T | 70 | Confident | 63.8 | Low | 48 Ų | 48 | 79.4 Ų | 79.4 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 128.4 | 177.2 | -46 | 0 | 0 | 0 | 0 | 111.6 | E175 R176 Y185 | E175-T183 HydrophobicContact CG-CG2 3.51Å; E175-T183 WeakPolarHBondContact OE1-CG2 3.47Å; R176-T183 CarbonylContact O-C 3.56Å; R176-T183 WeakPolarHBondContact O-CA 3.48Å; T183-Y185 HydrophobicContact CG2-CE1 4.25Å; T183-Y185 HydrophobicContact CG2-CE2 4.08Å |
| 184 | V | 70.7 | Confident | 63.6 | Low | 16 Ų | 16 | 79.9 Ų | 79.9 | 10% | 0.097 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.8 | -178.7 | -178 | 0 | 0 | 0 | 0 | 108.8 | R176 D178 V186 T193 Q194 F195 | R176-V184 PolarHBondContact N-O 2.85Å; R176-V184 PolarHBondContact O-N 3.5Å; R176-V184 VanDerWaalsContact O-O 3.13Å; D178-V184 HydrophobicContact CB-CG2 4.13Å; V184-V186 HydrophobicContact CG1-CG2 4.5Å; V184-T193 HydrophobicContact CG1-CG2 4.09Å; V184-Q194 CarbonylContact C-O 3.55Å; V184-F195 HydrophobicContact CG2-CD1 3.88Å; V184-F195 HydrophobicContact CG2-CE1 3.55Å; V184-F195 HydrophobicContact CG2-CZ 4.35Å |
| 185 | Y | 76.4 | Confident | 63.4 | Low | 31 Ų | 31 | 83.2 Ų | 83.2 | 12% | 0.122 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.3 | 176.5 | -56.9 | -82.7 | 0 | 0 | 0 | 109.6 | M169 E174 E175 T183 T193 Q194 T196 P197 | M169-Y185 HydrophobicContact CE-CD1 3.92Å; M169-Y185 HydrophobicContact SD-CD1 4.31Å; E174-Y185 CarbonylContact O-C 3.57Å; E174-Y185 WeakPolarHBondContact O-CA 3.27Å; E175-Y185 HydrophobicContact CB-CD1 4.09Å; E175-Y185 HydrophobicContact CB-CE1 4.11Å; E175-Y185 HydrophobicContact CG-CD1 4.02Å; E175-Y185 HydrophobicContact CG-CE1 3.66Å; T183-Y185 HydrophobicContact CG2-CE1 4.25Å; T183-Y185 HydrophobicContact CG2-CE2 4.08Å; Y185-T193 CarbonylContact O-C 3.59Å; Y185-T193 WeakPolarHBondContact O-CA 3.42Å; Y185-Q194 PolarHBondContact N-O 3.48Å; Y185-Q194 PolarHBondContact O-N 2.91Å; Y185-T196 VanDerWaalsContact CD2-C 3.46Å; Y185-T196 WeakPolarHBondContact CD2-O 3.37Å; Y185-P197 HydrophobicContact CE1-CB 4.4Å; Y185-P197 HydrophobicContact CE1-CG 4.49Å; Y185-P197 HydrophobicContact CE2-CB 4.23Å; Y185-P197 HydrophobicContact CE2-CG 3.78Å |
| 186 | V | 67.2 | Low | 63.1 | Low | 22 Ų | 22 | 83.2 Ų | 83.2 | 13% | 0.133 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.9 | -175.3 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | W173 E174 R176 V184 T192 T193 | W173-V186 CarbonylContact C-O 3.59Å; W173-V186 WeakPolarHBondContact CA-O 3.33Å; E174-V186 HydrophobicContact CB-CB 4.3Å; E174-V186 PolarHBondContact N-O 3.41Å; E174-V186 PolarHBondContact O-N 3.23Å; R176-V186 HydrophobicContact CB-CG2 4.34Å; V184-V186 HydrophobicContact CG1-CG2 4.5Å; V186-T192 CarbonylContact C-O 3.57Å; V186-T192 WeakPolarHBondContact CA-O 3.41Å; V186-T193 HydrophobicContact CB-CG2 4.27Å; V186-T193 HydrophobicContact CG1-CG2 4.08Å; V186-T193 HydrophobicContact CG2-CG2 3.9Å |
| 187 | N | 69.9 | Low | 62.7 | Low | 9 Ų | 9 | 80.7 Ų | 80.7 | 5% | 0.048 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 109.9 | 171.4 | -174.6 | -33.4 | 0 | 0 | 0 | 109.5 | G172 W173 A189 L190 R191 T192 | G172-N187 CarbonylContact O-C 3.51Å; W173-N187 HydrophobicContact CD2-CB 3.82Å; W173-N187 HydrophobicContact CE3-CB 3.75Å; W173-N187 HydrophobicContact CH2-CB 3.73Å; W173-N187 HydrophobicContact CZ2-CB 3.79Å; W173-N187 WeakPolarHBondContact CZ2-ND2 3.21Å; W173-N187 HydrophobicContact CZ3-CB 3.7Å; W173-N187 PolarHBondContact NE1-ND2 2.84Å; N187-A189 WeakPolarHBondContact OD1-CA 3.41Å; N187-A189 WeakPolarHBondContact OD1-CB 3.24Å; N187-A189 PolarHBondContact OD1-N 3.1Å; N187-L190 HydrophobicContact CB-CB 4.42Å; N187-L190 PolarHBondContact OD1-N 3.2Å; N187-R191 CarbonylContact O-C 3.49Å; N187-R191 WeakPolarHBondContact O-CA 3.42Å; N187-R191 PolarHBondContact O-N 2.99Å; N187-T192 PolarHBondContact N-O 3.11Å; N187-T192 PolarHBondContact O-N 3Å; N187-T192 VanDerWaalsContact O-N 3.08Å |
| 188 | H | 58.4 | Low | 62.9 | Low | 98 Ų | 98 | 75.5 Ų | 75.5 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -28.4 | 179.5 | -71 | -81.4 | 0 | 0 | 0 | 113.8 | G172 E174 | G172-H188 WeakPolarHBondContact O-CB 3.39Å; G172-H188 PolarHBondContact O-N 3Å; E174-H188 WeakPolarHBondContact CB-NE2 3.21Å; E174-H188 IonicContact OE2-CD2 3.83Å; E174-H188 IonicContact OE2-CE1 2.94Å; E174-H188 PolarHBondContact OE2-CE1 2.84Å; E174-H188 IonicContact OE2-NE2 2.6Å; E174-H188 PolarHBondContact OE2-NE2 3.14Å |
| 189 | A | 57.7 | Low | 62.6 | Low | 84 Ų | 84 | 81.6 Ų | 81.6 | 69% | 0.694 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -42.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N187 | N187-A189 WeakPolarHBondContact OD1-CA 3.41Å; N187-A189 WeakPolarHBondContact OD1-CB 3.24Å; N187-A189 PolarHBondContact OD1-N 3.1Å |
| 190 | L | 56 | Low | 62.5 | Low | 86 Ų | 86 | 82.7 Ų | 82.7 | 45% | 0.45 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -9 | 176.7 | -60.9 | 179.6 | 0 | 0 | 0 | 113.4 | N187 T192 V214 | N187-L190 HydrophobicContact CB-CB 4.42Å; N187-L190 PolarHBondContact OD1-N 3.2Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 HydrophobicContact CB-CG2 4.06Å; L190-T192 PolarHBondContact O-N 3.37Å; L190-V214 HydrophobicContact CD2-CG2 4.09Å |
| 191 | R | 51.9 | Low | 61.8 | Low | 190 Ų | 190 | 82.6 Ų | 82.6 | 72% | 0.717 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 46.6 | -173 | -57.5 | -175.2 | -180 | -158.7 | 1.4 | 112.5 | N187 | N187-R191 CarbonylContact O-C 3.49Å; N187-R191 WeakPolarHBondContact O-CA 3.42Å; N187-R191 PolarHBondContact O-N 2.99Å |
| 192 | T | 56 | Low | 61 | Low | 28 Ų | 28 | 85.4 Ų | 85.4 | 17% | 0.172 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 158.4 | 179.3 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | V186 N187 L190 | V186-T192 CarbonylContact C-O 3.57Å; V186-T192 WeakPolarHBondContact CA-O 3.41Å; N187-T192 PolarHBondContact N-O 3.11Å; N187-T192 PolarHBondContact O-N 3Å; N187-T192 VanDerWaalsContact O-N 3.08Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 HydrophobicContact CB-CG2 4.06Å; L190-T192 PolarHBondContact O-N 3.37Å |
| 193 | T | 66.9 | Low | 59.6 | Low | 96 Ų | 96 | 86.3 Ų | 86.3 | 59% | 0.589 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.6 | 170.5 | 53.7 | 0 | 0 | 0 | 0 | 109.4 | V184 Y185 V186 | V184-T193 HydrophobicContact CG1-CG2 4.09Å; Y185-T193 CarbonylContact O-C 3.59Å; Y185-T193 WeakPolarHBondContact O-CA 3.42Å; V186-T193 HydrophobicContact CB-CG2 4.27Å; V186-T193 HydrophobicContact CG1-CG2 4.08Å; V186-T193 HydrophobicContact CG2-CG2 3.9Å |
| 194 | Q | 68.8 | Low | 57.7 | Low | 61 Ų | 61 | 87 Ų | 87 | 29% | 0.285 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 156.2 | 177.8 | 62.5 | -177 | 37.2 | 0 | 0 | 110.5 | W173 V184 Y185 T196 | W173-Q194 HydrophobicContact CH2-CG 4.28Å; W173-Q194 HydrophobicContact CZ3-CG 3.92Å; V184-Q194 CarbonylContact C-O 3.55Å; Y185-Q194 PolarHBondContact N-O 3.48Å; Y185-Q194 PolarHBondContact O-N 2.91Å; Q194-T196 WeakPolarHBondContact CG-O 3.2Å; Q194-T196 PolarHBondContact NE2-O 2.8Å |
| 195 | F | 74.2 | Confident | 55.7 | Low | 136 Ų | 136 | 93.1 Ų | 93.1 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -92.5 | -10.1 | -179 | -64 | -82 | 0 | 0 | 0 | 113.5 | V184 | V184-F195 HydrophobicContact CG2-CD1 3.88Å; V184-F195 HydrophobicContact CG2-CE1 3.55Å; V184-F195 HydrophobicContact CG2-CZ 4.35Å |
| 196 | T | 66 | Low | 53.8 | Low | 100 Ų | 100 | 97.9 Ų | 97.9 | 61% | 0.613 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -103.3 | 141 | 177 | 24.9 | 0 | 0 | 0 | 0 | 111.4 | Y185 Q194 | Y185-T196 VanDerWaalsContact CD2-C 3.46Å; Y185-T196 WeakPolarHBondContact CD2-O 3.37Å; Q194-T196 WeakPolarHBondContact CG-O 3.2Å; Q194-T196 PolarHBondContact NE2-O 2.8Å |
| 197 | P | 70.1 | Confident | 52.3 | Low | 82 Ų | 82 | 104.5 Ų | 104.5 | 53% | 0.532 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 144.4 | 176.8 | -17.3 | 27.3 | 0 | 0 | 0 | 111.9 | Y185 | Y185-P197 HydrophobicContact CE1-CB 4.4Å; Y185-P197 HydrophobicContact CE1-CG 4.49Å; Y185-P197 HydrophobicContact CE2-CB 4.23Å; Y185-P197 HydrophobicContact CE2-CG 3.78Å |
| 198 | P | 65.4 | Low | 50.7 | Low | 26 Ų | 26 | 107.5 Ų | 107.5 | 17% | 0.169 | 62% | 0.62 | C | S | . | * | P | Polyproline II helix | trans | -65.2 | 136.5 | 174.7 | 26.2 | -32.7 | 0 | 0 | 0 | 111.7 | P170 W173 S200 | P170-P198 HydrophobicContact CG-CG 4.4Å; W173-P198 HydrophobicContact CD2-CB 4.23Å; W173-P198 HydrophobicContact CD2-CG 3.87Å; W173-P198 HydrophobicContact CE3-CB 4.46Å; W173-P198 HydrophobicContact CE3-CG 4.02Å; W173-P198 HydrophobicContact CG-CG 4.27Å; W173-P198 HydrophobicContact CH2-CB 4.09Å; W173-P198 HydrophobicContact CZ2-CB 3.83Å; W173-P198 HydrophobicContact CZ2-CG 4.38Å; W173-P198 HydrophobicContact CZ3-CB 4.4Å; W173-P198 HydrophobicContact CZ3-CG 4.35Å; P198-S200 PolarHBondContact O-N 3.36Å |
| 199 | E | 57.7 | Low | 49.7 | Very low | 180 Ų | 180 | 107.4 Ų | 107.4 | 84% | 0.841 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 129.7 | 177.6 | -70.2 | -175.4 | 173.8 | 0 | 0 | 111.3 | V201 | E199-V201 PolarHBondContact O-N 3.11Š|
| 200 | S | 47.2 | Very low | 49.2 | Very low | 113 Ų | 113 | 108.1 Ų | 108.1 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | trans | -64.8 | 96.1 | 179.8 | -41.1 | 0 | 0 | 0 | 0 | 111 | P198 S202 | P198-S200 PolarHBondContact O-N 3.36Å; S200-S202 PolarHBondContact O-N 3.44Å | ||
| 201 | V | 40.2 | Very low | 48.4 | Very low | 126 Ų | 126 | 111.6 Ų | 111.6 | 76% | 0.764 | 63% | 0.632 | S | S | * | * | trans | -71.3 | 104.9 | 174.9 | -170.8 | 0 | 0 | 0 | 0 | 109.2 | E199 N203 | E199-V201 PolarHBondContact O-N 3.11Å; V201-N203 PolarHBondContact O-N 2.92Å | ||
| 202 | S | 32.7 | Very low | 48 | Very low | 108 Ų | 108 | 110 Ų | 110 | 76% | 0.755 | 63% | 0.632 | S | S | * | * | trans | -69.7 | 119 | 175 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | S200 | S200-S202 PolarHBondContact O-N 3.44Š| ||
| 203 | N | 28.7 | Very low | 47.8 | Very low | 172 Ų | 172 | 111.3 Ų | 111.3 | 92% | 0.92 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 32.7 | 97.4 | 158 | -75.7 | -9.3 | 0 | 0 | 0 | 118.3 | V201 | V201-N203 PolarHBondContact O-N 2.92Š|
| 204 | G | 29.5 | Very low | 46.7 | Very low | 63 Ų | 63 | 109.6 Ų | 109.6 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 170 | 106 | 156.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 205 | N | 28.7 | Very low | 45.8 | Very low | 145 Ų | 145 | 111.6 Ų | 111.6 | 78% | 0.775 | 64% | 0.643 | S | S | * | * | trans | 53.4 | 103.5 | 169.3 | -78.5 | -3.2 | 0 | 0 | 0 | 118.2 | D207 | N205-D207 VanDerWaalsContact C-N 3.35Å; N205-D207 PolarHBondContact O-N 2.83Å | ||
| 206 | V | 37 | Very low | 44.9 | Very low | 130 Ų | 130 | 110.8 Ų | 110.8 | 79% | 0.788 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -13.2 | -176.7 | 178.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 207 | D | 35.8 | Very low | 44.2 | Very low | 161 Ų | 161 | 110 Ų | 110 | 86% | 0.861 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -0 | -170.6 | -64.6 | -34.1 | 0 | 0 | 0 | 115.9 | N205 | N205-D207 VanDerWaalsContact C-N 3.35Å; N205-D207 PolarHBondContact O-N 2.83Å |
| 208 | A | 35.8 | Very low | 43.3 | Very low | 73 Ų | 73 | 110.1 Ų | 110.1 | 60% | 0.603 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -111.9 | -4.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 209 | I | 36.9 | Very low | 42.7 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 49% | 0.492 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -85.4 | -12.7 | -171.1 | -63.4 | 178.6 | 0 | 0 | 0 | 112.9 | S213 | I209-S213 WeakPolarHBondContact O-CB 3.37Å; I209-S213 PolarHBondContact O-OG 3.15Å |
| 210 | T | 47.9 | Very low | 42.8 | Very low | 98 Ų | 98 | 115.5 Ų | 115.5 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -84.4 | -34.9 | -169.4 | -29.9 | 0 | 0 | 0 | 0 | 114.7 | V214 | T210-V214 VanDerWaalsContact O-CB 3.27Å; T210-V214 WeakPolarHBondContact O-CB 3.49Å; T210-V214 WeakPolarHBondContact O-CG2 3.25Å |
| 211 | E | 39.7 | Very low | 42.7 | Very low | 160 Ų | 160 | 116.6 Ų | 116.6 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -86 | -45.5 | -174.2 | -74.6 | -173 | 163.1 | 0 | 0 | 113.5 | V214 I215 | E211-V214 PolarHBondContact O-N 2.79Å; E211-I215 WeakPolarHBondContact O-CB 3.46Å; E211-I215 WeakPolarHBondContact O-CD1 3.46Å; E211-I215 WeakPolarHBondContact O-CG1 3.42Å; E211-I215 PolarHBondContact O-N 3.1Å |
| 212 | Q | 43.7 | Very low | 43 | Very low | 157 Ų | 157 | 118.6 Ų | 118.6 | 73% | 0.734 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -69.9 | -36.6 | -178.6 | -84.4 | -175.4 | -24.3 | 0 | 0 | 112.7 | I215 E216 | Q212-I215 PolarHBondContact O-N 2.82Å; Q212-E216 WeakPolarHBondContact O-CB 3.44Å; Q212-E216 PolarHBondContact O-N 3.08Å |
| 213 | S | 50.1 | Low | 43.7 | Very low | 55 Ų | 55 | 117 Ų | 117 | 39% | 0.385 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.6 | -38.7 | 176.2 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | I209 E217 | I209-S213 WeakPolarHBondContact O-CB 3.37Å; I209-S213 PolarHBondContact O-OG 3.15Å; S213-E217 WeakPolarHBondContact O-CB 3.37Å; S213-E217 PolarHBondContact O-N 3.18Å |
| 214 | V | 45.6 | Very low | 44.3 | Very low | 59 Ų | 59 | 114 Ų | 114 | 36% | 0.358 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.4 | -43.3 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L190 T210 E211 T218 | L190-V214 HydrophobicContact CD2-CG2 4.09Å; T210-V214 VanDerWaalsContact O-CB 3.27Å; T210-V214 WeakPolarHBondContact O-CB 3.49Å; T210-V214 WeakPolarHBondContact O-CG2 3.25Å; E211-V214 PolarHBondContact O-N 2.79Å; V214-T218 VanDerWaalsContact O-CB 3.28Å; V214-T218 WeakPolarHBondContact O-CB 3.23Å; V214-T218 PolarHBondContact O-N 3.04Å; V214-T218 PolarHBondContact O-OG1 3.5Å |
| 215 | I | 48.4 | Very low | 44.8 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -47.1 | 178 | -68.4 | 163.9 | 0 | 0 | 0 | 110.8 | E211 Q212 E217 T218 R219 | E211-I215 WeakPolarHBondContact O-CB 3.46Å; E211-I215 WeakPolarHBondContact O-CD1 3.46Å; E211-I215 WeakPolarHBondContact O-CG1 3.42Å; E211-I215 PolarHBondContact O-N 3.1Å; Q212-I215 PolarHBondContact O-N 2.82Å; I215-E217 PolarHBondContact O-N 3.34Å; I215-T218 PolarHBondContact O-N 3.17Å; I215-R219 WeakPolarHBondContact O-CB 3.32Å; I215-R219 PolarHBondContact O-N 2.97Å |
| 216 | E | 56.5 | Low | 45.1 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.3 | -40.4 | -179.6 | -160.2 | 69.2 | -162.6 | 0 | 0 | 111.4 | Q212 R219 R220 | Q212-E216 WeakPolarHBondContact O-CB 3.44Å; Q212-E216 PolarHBondContact O-N 3.08Å; E216-R219 WeakPolarHBondContact O-CB 3.15Å; E216-R219 PolarHBondContact O-N 3.03Å; E216-R220 WeakPolarHBondContact O-CB 3.43Å; E216-R220 PolarHBondContact O-N 3.25Å |
| 217 | E | 51.3 | Low | 44.9 | Very low | 83 Ų | 83 | 116.1 Ų | 116.1 | 39% | 0.388 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72 | -35.5 | 178 | -171 | 59.1 | -156.5 | 0 | 0 | 112.1 | S213 I215 R219 R220 R221 | S213-E217 WeakPolarHBondContact O-CB 3.37Å; S213-E217 PolarHBondContact O-N 3.18Å; I215-E217 PolarHBondContact O-N 3.34Å; E217-R219 VanDerWaalsContact C-N 3.33Å; E217-R220 PolarHBondContact O-N 3.42Å; E217-R221 WeakPolarHBondContact O-CB 3.23Å; E217-R221 WeakPolarHBondContact O-CG 3.48Å; E217-R221 PolarHBondContact O-N 3.16Å; E217-R221 IonicContact OE1-NE 2.92Å |
| 218 | T | 51.5 | Low | 44.7 | Very low | 85 Ų | 85 | 118.3 Ų | 118.3 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.6 | -36.6 | 173.4 | -48.8 | 0 | 0 | 0 | 0 | 110.9 | V214 I215 R221 R222 | V214-T218 VanDerWaalsContact O-CB 3.28Å; V214-T218 WeakPolarHBondContact O-CB 3.23Å; V214-T218 PolarHBondContact O-N 3.04Å; V214-T218 PolarHBondContact O-OG1 3.5Å; I215-T218 PolarHBondContact O-N 3.17Å; T218-R221 PolarHBondContact O-N 3.23Å; T218-R222 PolarHBondContact O-N 2.94Å |
| 219 | R | 52.6 | Low | 44.6 | Very low | 160 Ų | 160 | 119.9 Ų | 119.9 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.3 | -48 | 173.3 | -133.8 | 177.5 | 177.7 | -176.7 | -2.4 | 111.1 | I215 E216 E217 R221 R222 D223 | I215-R219 WeakPolarHBondContact O-CB 3.32Å; I215-R219 PolarHBondContact O-N 2.97Å; E216-R219 WeakPolarHBondContact O-CB 3.15Å; E216-R219 PolarHBondContact O-N 3.03Å; E217-R219 VanDerWaalsContact C-N 3.33Å; R219-R221 VanDerWaalsContact C-N 3.26Å; R219-R221 PolarHBondContact O-N 3.14Å; R219-R222 WeakPolarHBondContact O-CB 3.25Å; R219-R222 PolarHBondContact O-N 3.46Å; R219-R222 VanDerWaalsContact O-N 3.12Å; R219-D223 VanDerWaalsContact O-CG 3.3Å; R219-D223 PolarHBondContact O-N 3.41Å |
| 220 | R | 58.5 | Low | 44.2 | Very low | 159 Ų | 159 | 122 Ų | 122 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.5 | -37.8 | 172.8 | -107.1 | -177.6 | 168.6 | 177.2 | -2.2 | 112.8 | E216 E217 N224 | E216-R220 WeakPolarHBondContact O-CB 3.43Å; E216-R220 PolarHBondContact O-N 3.25Å; E217-R220 PolarHBondContact O-N 3.42Å; R220-N224 WeakPolarHBondContact O-CB 3.46Å; R220-N224 PolarHBondContact O-N 3.32Å |
| 221 | R | 44.9 | Very low | 43.2 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.6 | -37 | 176 | -77.4 | -178.8 | -179 | -176.9 | -0.3 | 113.2 | E217 T218 R219 D223 N224 Y225 | E217-R221 WeakPolarHBondContact O-CB 3.23Å; E217-R221 WeakPolarHBondContact O-CG 3.48Å; E217-R221 PolarHBondContact O-N 3.16Å; E217-R221 IonicContact OE1-NE 2.92Å; T218-R221 PolarHBondContact O-N 3.23Å; R219-R221 VanDerWaalsContact C-N 3.26Å; R219-R221 PolarHBondContact O-N 3.14Å; R221-D223 VanDerWaalsContact C-N 3.34Å; R221-N224 PolarHBondContact O-N 3.35Å; R221-Y225 WeakPolarHBondContact O-CB 3.47Å; R221-Y225 PolarHBondContact O-N 2.96Å |
| 222 | R | 47.4 | Very low | 42.7 | Very low | 168 Ų | 168 | 121.2 Ų | 121.2 | 63% | 0.634 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.7 | -47.2 | 172.1 | -167.7 | 179.3 | -161.3 | 143.3 | 7.3 | 109.9 | T218 R219 Y225 E226 | T218-R222 PolarHBondContact O-N 2.94Å; R219-R222 WeakPolarHBondContact O-CB 3.25Å; R219-R222 PolarHBondContact O-N 3.46Å; R219-R222 VanDerWaalsContact O-N 3.12Å; R222-Y225 PolarHBondContact O-N 3.48Å; R222-E226 IonicContact NE-OE1 3.23Å; R222-E226 PolarHBondContact NE-OE1 3.26Å; R222-E226 VanDerWaalsContact O-CB 3.31Å; R222-E226 WeakPolarHBondContact O-CB 3.4Å; R222-E226 VanDerWaalsContact O-CG 3.31Å; R222-E226 WeakPolarHBondContact O-CG 3.2Å; R222-E226 PolarHBondContact O-N 3.12Å |
| 223 | D | 46.4 | Very low | 42.2 | Very low | 75 Ų | 75 | 121.1 Ų | 121.1 | 40% | 0.401 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.6 | -48.8 | 176.3 | -64.8 | -18.5 | 0 | 0 | 0 | 110.1 | R219 R221 Y225 E226 H227 | R219-D223 VanDerWaalsContact O-CG 3.3Å; R219-D223 PolarHBondContact O-N 3.41Å; R221-D223 VanDerWaalsContact C-N 3.34Å; D223-Y225 PolarHBondContact O-N 3.4Å; D223-E226 PolarHBondContact O-N 2.8Å; D223-H227 VanDerWaalsContact O-CB 3.28Å; D223-H227 WeakPolarHBondContact O-CB 3.36Å; D223-H227 VanDerWaalsContact O-CG 3.3Å; D223-H227 PolarHBondContact O-N 3.26Å; D223-H227 PolarHBondContact O-ND1 3.44Å |
| 224 | N | 42.3 | Very low | 41.2 | Very low | 108 Ų | 108 | 126 Ų | 126 | 58% | 0.578 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.1 | -31.8 | 178.7 | -77.7 | -7.2 | 0 | 0 | 0 | 114.1 | R220 R221 R228 | R220-N224 WeakPolarHBondContact O-CB 3.46Å; R220-N224 PolarHBondContact O-N 3.32Å; R221-N224 PolarHBondContact O-N 3.35Å; N224-R228 WeakPolarHBondContact O-CB 3.33Å; N224-R228 PolarHBondContact O-N 3.11Å |
| 225 | Y | 39.4 | Very low | 41.3 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 71% | 0.71 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.9 | -41.7 | 175.9 | -176.3 | -98.2 | 0 | 0 | 0 | 111 | R221 R222 D223 H227 R228 S229 | R221-Y225 WeakPolarHBondContact O-CB 3.47Å; R221-Y225 PolarHBondContact O-N 2.96Å; R222-Y225 PolarHBondContact O-N 3.48Å; D223-Y225 PolarHBondContact O-N 3.4Å; Y225-H227 VanDerWaalsContact C-N 3.31Å; Y225-H227 PolarHBondContact O-N 3.04Å; Y225-R228 PolarHBondContact O-N 3.23Å; Y225-S229 PolarHBondContact O-N 3.17Å; Y225-S229 VanDerWaalsContact O-N 3.15Å |
| 226 | E | 34.8 | Very low | 40.7 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 46% | 0.463 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.3 | -33.1 | 173.2 | -70.6 | -177.9 | -170.1 | 0 | 0 | 111.5 | R222 D223 | R222-E226 IonicContact NE-OE1 3.23Å; R222-E226 PolarHBondContact NE-OE1 3.26Å; R222-E226 VanDerWaalsContact O-CB 3.31Å; R222-E226 WeakPolarHBondContact O-CB 3.4Å; R222-E226 VanDerWaalsContact O-CG 3.31Å; R222-E226 WeakPolarHBondContact O-CG 3.2Å; R222-E226 PolarHBondContact O-N 3.12Å; D223-E226 PolarHBondContact O-N 2.8Å |
| 227 | H | 33.8 | Very low | 39.6 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 47% | 0.472 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -79.2 | -29.2 | 173.1 | -72.9 | 67 | 0 | 0 | 0 | 112.8 | D223 Y225 S229 Q230 | D223-H227 VanDerWaalsContact O-CB 3.28Å; D223-H227 WeakPolarHBondContact O-CB 3.36Å; D223-H227 VanDerWaalsContact O-CG 3.3Å; D223-H227 PolarHBondContact O-N 3.26Å; D223-H227 PolarHBondContact O-ND1 3.44Å; Y225-H227 VanDerWaalsContact C-N 3.31Å; Y225-H227 PolarHBondContact O-N 3.04Å; H227-S229 VanDerWaalsContact C-N 3.27Å; H227-S229 PolarHBondContact O-N 2.83Å; H227-Q230 CarbonylContact O-C 3.55Å; H227-Q230 WeakPolarHBondContact O-CA 3.14Å; H227-Q230 PolarHBondContact O-N 3.26Å |
| 228 | R | 31.7 | Very low | 38.8 | Very low | 208 Ų | 208 | 129.6 Ų | 129.6 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71 | -25.2 | 174.1 | -176.7 | 177.6 | -96.7 | -160.1 | -5.2 | 112 | N224 Y225 | N224-R228 WeakPolarHBondContact O-CB 3.33Å; N224-R228 PolarHBondContact O-N 3.11Å; Y225-R228 PolarHBondContact O-N 3.23Å |
| 229 | S | 32.1 | Very low | 38.4 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -8 | 167.1 | -170.9 | 0 | 0 | 0 | 0 | 113.3 | Y225 H227 | Y225-S229 PolarHBondContact O-N 3.17Å; Y225-S229 VanDerWaalsContact O-N 3.15Å; H227-S229 VanDerWaalsContact C-N 3.27Å; H227-S229 PolarHBondContact O-N 2.83Å |
| 230 | Q | 28.6 | Very low | 37.9 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -126.5 | 71.1 | 175.9 | -66.1 | -175.9 | 23.8 | 0 | 0 | 108.8 | H227 T232 | H227-Q230 CarbonylContact O-C 3.55Å; H227-Q230 WeakPolarHBondContact O-CA 3.14Å; H227-Q230 PolarHBondContact O-N 3.26Å; Q230-T232 PolarHBondContact O-N 2.83Å |
| 231 | V | 27.5 | Very low | 36.9 | Very low | 130 Ų | 130 | 124 Ų | 124 | 79% | 0.788 | 64% | 0.635 | S | S | * | * | trans | -68.7 | 79.6 | 166.2 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 232 | T | 30.2 | Very low | 36.8 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -163.1 | 124.8 | 146.2 | 47.4 | 0 | 0 | 0 | 0 | 107.5 | Q230 | Q230-T232 PolarHBondContact O-N 2.83Š|
| 233 | D | 32.6 | Very low | 37 | Very low | 155 Ų | 155 | 117 Ų | 117 | 83% | 0.829 | 62% | 0.624 | S | S | * | * | trans | 82.1 | 78.3 | 163.7 | -54.5 | -23.1 | 0 | 0 | 0 | 118.4 | ||||
| 234 | E | 28.9 | Very low | 37 | Very low | 159 Ų | 159 | 119.5 Ų | 119.5 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | trans | -145.2 | 138.6 | 139.9 | -95.6 | -92.7 | 135.5 | 0 | 0 | 109.6 | S236 | E234-S236 PolarHBondContact O-N 2.95Š| ||
| 235 | P | 47.2 | Very low | 37 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 76% | 0.76 | 63% | 0.633 | S | S | * | * | trans | -96.6 | 97.3 | -155.7 | 34.4 | -26.5 | 0 | 0 | 0 | 111.9 | ||||
| 236 | S | 35.5 | Very low | 37.6 | Very low | 103 Ų | 103 | 114.2 Ų | 114.2 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | trans | -102.8 | 114.2 | 165.3 | 36.9 | 0 | 0 | 0 | 0 | 109.6 | E234 T238 | E234-S236 PolarHBondContact O-N 2.95Å; S236-T238 VanDerWaalsContact C-N 3.34Å; S236-T238 PolarHBondContact O-N 2.92Å; S236-T238 PolarHBondContact O-OG1 3.24Å | ||
| 237 | D | 33.4 | Very low | 38.8 | Very low | 143 Ų | 143 | 112.2 Ų | 112.2 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | trans | 3.5 | 72.5 | 169.1 | -106.4 | -37.2 | 0 | 0 | 0 | 116 | T239 | D237-T239 PolarHBondContact O-N 2.93Å; D237-T239 VanDerWaalsContact O-N 3.07Å | ||
| 238 | T | 36.4 | Very low | 39.3 | Very low | 77 Ų | 77 | 111.8 Ų | 111.8 | 47% | 0.472 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.4 | 7.6 | -177.1 | -19.4 | 0 | 0 | 0 | 0 | 111.3 | S236 I240 V241 S242 | S236-T238 VanDerWaalsContact C-N 3.34Å; S236-T238 PolarHBondContact O-N 2.92Å; S236-T238 PolarHBondContact O-OG1 3.24Å; T238-I240 VanDerWaalsContact C-N 3.27Å; T238-I240 PolarHBondContact O-N 3.19Å; T238-V241 HydrophobicContact CG2-CB 4.36Å; T238-V241 PolarHBondContact O-N 3.25Å; T238-S242 WeakPolarHBondContact O-CA 3.26Å; T238-S242 WeakPolarHBondContact O-CB 3.44Å; T238-S242 PolarHBondContact O-N 3.24Å; T238-S242 PolarHBondContact O-OG 2.93Å |
| 239 | T | 41.5 | Very low | 40.1 | Very low | 83 Ų | 83 | 106.2 Ų | 106.2 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60 | -34.9 | -174.4 | 45.9 | 0 | 0 | 0 | 0 | 112.7 | D237 N243 | D237-T239 PolarHBondContact O-N 2.93Å; D237-T239 VanDerWaalsContact O-N 3.07Å; T239-N243 WeakPolarHBondContact O-CB 3.02Å; T239-N243 PolarHBondContact O-N 2.8Å; T239-N243 VanDerWaalsContact O-N 3.11Å; T239-N243 PolarHBondContact O-ND2 2.83Å; T239-N243 PolarHBondContact O-OD1 3Å |
| 240 | I | 42.2 | Very low | 41 | Very low | 122 Ų | 122 | 105.9 Ų | 105.9 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.9 | -47.6 | 178.9 | -57.1 | 178.2 | 0 | 0 | 0 | 111.2 | T238 N243 E244 | T238-I240 VanDerWaalsContact C-N 3.27Å; T238-I240 PolarHBondContact O-N 3.19Å; I240-N243 PolarHBondContact O-N 3.12Å; I240-E244 PolarHBondContact O-N 3.31Å |
| 241 | V | 38.4 | Very low | 42 | Very low | 81 Ų | 81 | 101.7 Ų | 101.7 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.2 | -36.3 | -177.8 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | T238 N243 E244 L245 | T238-V241 HydrophobicContact CG2-CB 4.36Å; T238-V241 PolarHBondContact O-N 3.25Å; V241-N243 VanDerWaalsContact C-N 3.35Å; V241-E244 PolarHBondContact O-N 2.78Å; V241-L245 HydrophobicContact CG1-CD1 3.93Å; V241-L245 VanDerWaalsContact O-CB 3.3Å; V241-L245 WeakPolarHBondContact O-CB 3.14Å; V241-L245 WeakPolarHBondContact O-CG 3.28Å; V241-L245 PolarHBondContact O-N 2.9Å |
| 242 | S | 43 | Very low | 42.5 | Very low | 50 Ų | 50 | 101 Ų | 101 | 35% | 0.35 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.9 | -35.3 | 171.5 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | T238 T246 | T238-S242 WeakPolarHBondContact O-CA 3.26Å; T238-S242 WeakPolarHBondContact O-CB 3.44Å; T238-S242 PolarHBondContact O-N 3.24Å; T238-S242 PolarHBondContact O-OG 2.93Å; S242-T246 VanDerWaalsContact O-CB 3.27Å; S242-T246 WeakPolarHBondContact O-CB 3.17Å; S242-T246 WeakPolarHBondContact O-CG2 3.25Å; S242-T246 PolarHBondContact O-N 3.15Å; S242-T246 PolarHBondContact O-OG1 2.73Å |
| 243 | N | 51 | Low | 43 | Very low | 108 Ų | 108 | 102.3 Ų | 102.3 | 58% | 0.578 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.8 | -37.6 | 175.3 | -74.6 | -10.8 | 0 | 0 | 0 | 111.8 | T239 I240 V241 T246 A247 | T239-N243 WeakPolarHBondContact O-CB 3.02Å; T239-N243 PolarHBondContact O-N 2.8Å; T239-N243 VanDerWaalsContact O-N 3.11Å; T239-N243 PolarHBondContact O-ND2 2.83Å; T239-N243 PolarHBondContact O-OD1 3Å; I240-N243 PolarHBondContact O-N 3.12Å; V241-N243 VanDerWaalsContact C-N 3.35Å; N243-T246 VanDerWaalsContact CA-OG1 3.3Å; N243-T246 WeakPolarHBondContact CA-OG1 3.1Å; N243-T246 PolarHBondContact O-OG1 2.95Å; N243-A247 WeakPolarHBondContact O-CB 3.38Å; N243-A247 PolarHBondContact O-N 2.95Å |
| 244 | E | 46.8 | Very low | 43.4 | Very low | 127 Ų | 127 | 97.4 Ų | 97.4 | 59% | 0.593 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.9 | -40.9 | 174.3 | -75.1 | -177.9 | 157.6 | 0 | 0 | 112 | I240 V241 A247 I248 | I240-E244 PolarHBondContact O-N 3.31Å; V241-E244 PolarHBondContact O-N 2.78Å; E244-A247 PolarHBondContact O-N 3.1Å; E244-I248 WeakPolarHBondContact O-CB 3.49Å; E244-I248 WeakPolarHBondContact O-CD1 3.4Å; E244-I248 WeakPolarHBondContact O-CG1 3.36Å; E244-I248 PolarHBondContact O-N 3.19Å |
| 245 | L | 41.2 | Very low | 43.8 | Very low | 107 Ų | 107 | 96.4 Ų | 96.4 | 56% | 0.56 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.2 | -38.4 | 174.7 | -81.3 | 160.4 | 0 | 0 | 0 | 112.4 | V241 I248 D249 | V241-L245 HydrophobicContact CG1-CD1 3.93Å; V241-L245 VanDerWaalsContact O-CB 3.3Å; V241-L245 WeakPolarHBondContact O-CB 3.14Å; V241-L245 WeakPolarHBondContact O-CG 3.28Å; V241-L245 PolarHBondContact O-N 2.9Å; L245-I248 PolarHBondContact O-N 2.94Å; L245-D249 VanDerWaalsContact O-CB 3.26Å; L245-D249 WeakPolarHBondContact O-CB 3.18Å; L245-D249 PolarHBondContact O-N 2.91Å |
| 246 | T | 53.7 | Low | 43.2 | Very low | 70 Ų | 70 | 99.2 Ų | 99.2 | 43% | 0.429 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71 | -34.6 | 172.5 | 44.8 | 0 | 0 | 0 | 0 | 111.5 | S242 N243 I248 D249 D250 | S242-T246 VanDerWaalsContact O-CB 3.27Å; S242-T246 WeakPolarHBondContact O-CB 3.17Å; S242-T246 WeakPolarHBondContact O-CG2 3.25Å; S242-T246 PolarHBondContact O-N 3.15Å; S242-T246 PolarHBondContact O-OG1 2.73Å; N243-T246 VanDerWaalsContact CA-OG1 3.3Å; N243-T246 WeakPolarHBondContact CA-OG1 3.1Å; N243-T246 PolarHBondContact O-OG1 2.95Å; T246-I248 VanDerWaalsContact C-N 3.33Å; T246-I248 PolarHBondContact O-N 2.93Å; T246-D249 PolarHBondContact O-N 3.43Å; T246-D250 WeakPolarHBondContact O-CA 3.41Å; T246-D250 WeakPolarHBondContact O-CB 3.27Å; T246-D250 PolarHBondContact O-N 3.42Å |
| 247 | A | 58.3 | Low | 43.2 | Very low | 58 Ų | 58 | 99.9 Ų | 99.9 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N243 E244 A251 | N243-A247 WeakPolarHBondContact O-CB 3.38Å; N243-A247 PolarHBondContact O-N 2.95Å; E244-A247 PolarHBondContact O-N 3.1Å; A247-A251 WeakPolarHBondContact O-CB 3.3Å; A247-A251 PolarHBondContact O-N 2.88Å |
| 248 | I | 45.6 | Very low | 43.1 | Very low | 93 Ų | 93 | 104.6 Ų | 104.6 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70 | -43.8 | 174.6 | -68.9 | 164.7 | 0 | 0 | 0 | 110.5 | E244 L245 T246 A251 M252 | E244-I248 WeakPolarHBondContact O-CB 3.49Å; E244-I248 WeakPolarHBondContact O-CD1 3.4Å; E244-I248 WeakPolarHBondContact O-CG1 3.36Å; E244-I248 PolarHBondContact O-N 3.19Å; L245-I248 PolarHBondContact O-N 2.94Å; T246-I248 VanDerWaalsContact C-N 3.33Å; T246-I248 PolarHBondContact O-N 2.93Å; I248-A251 PolarHBondContact O-N 3.19Å; I248-M252 HydrophobicContact CG2-CE 3.58Å; I248-M252 VanDerWaalsContact O-CG 3.31Å; I248-M252 WeakPolarHBondContact O-CG 3.2Å; I248-M252 PolarHBondContact O-N 3.25Å |
| 249 | D | 48.6 | Very low | 42.7 | Very low | 91 Ų | 91 | 104.1 Ų | 104.1 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.7 | -44.8 | 176.6 | -165.8 | 62.8 | 0 | 0 | 0 | 111.1 | L245 T246 A251 M252 R253 | L245-D249 VanDerWaalsContact O-CB 3.26Å; L245-D249 WeakPolarHBondContact O-CB 3.18Å; L245-D249 PolarHBondContact O-N 2.91Å; T246-D249 PolarHBondContact O-N 3.43Å; D249-A251 VanDerWaalsContact C-N 3.3Å; D249-A251 PolarHBondContact O-N 3.18Å; D249-M252 CarbonylContact O-C 3.56Å; D249-M252 PolarHBondContact O-N 3Å; D249-M252 VanDerWaalsContact O-N 3.17Å; D249-R253 WeakPolarHBondContact O-CB 3.28Å; D249-R253 PolarHBondContact O-N 3.39Å |
| 250 | D | 51.4 | Low | 42.1 | Very low | 98 Ų | 98 | 103.4 Ų | 103.4 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.1 | -36 | 173.6 | -77.7 | -22.6 | 0 | 0 | 0 | 111.4 | T246 R253 A254 | T246-D250 WeakPolarHBondContact O-CA 3.41Å; T246-D250 WeakPolarHBondContact O-CB 3.27Å; T246-D250 PolarHBondContact O-N 3.42Å; D250-R253 PolarHBondContact O-N 2.97Å; D250-A254 WeakPolarHBondContact O-CB 3.47Å; D250-A254 PolarHBondContact O-N 3.34Å |
| 251 | A | 49.2 | Very low | 41.3 | Very low | 53 Ų | 53 | 101.1 Ų | 101.1 | 44% | 0.438 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.8 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | A247 I248 D249 R253 N255 | A247-A251 WeakPolarHBondContact O-CB 3.3Å; A247-A251 PolarHBondContact O-N 2.88Å; I248-A251 PolarHBondContact O-N 3.19Å; D249-A251 VanDerWaalsContact C-N 3.3Å; D249-A251 PolarHBondContact O-N 3.18Å; A251-R253 VanDerWaalsContact C-N 3.31Å; A251-N255 PolarHBondContact O-N 2.98Å; A251-N255 VanDerWaalsContact O-N 3.14Å |
| 252 | M | 37 | Very low | 40.5 | Very low | 117 Ų | 117 | 105.5 Ų | 105.5 | 58% | 0.576 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.9 | -36.3 | 174.2 | -69.9 | -153 | -140.4 | 0 | 0 | 111.5 | I248 D249 N255 F256 | I248-M252 HydrophobicContact CG2-CE 3.58Å; I248-M252 VanDerWaalsContact O-CG 3.31Å; I248-M252 WeakPolarHBondContact O-CG 3.2Å; I248-M252 PolarHBondContact O-N 3.25Å; D249-M252 CarbonylContact O-C 3.56Å; D249-M252 PolarHBondContact O-N 3Å; D249-M252 VanDerWaalsContact O-N 3.17Å; M252-N255 WeakPolarHBondContact O-CB 3.16Å; M252-N255 PolarHBondContact O-N 3.15Å; M252-F256 PolarHBondContact O-N 3.16Å |
| 253 | R | 40.2 | Very low | 39.8 | Very low | 137 Ų | 137 | 109.9 Ų | 109.9 | 52% | 0.517 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -76.9 | -38.1 | -179.6 | -167.1 | 176.1 | 164.7 | 150 | 1.3 | 111.8 | D249 D250 A251 N255 F256 E257 | D249-R253 WeakPolarHBondContact O-CB 3.28Å; D249-R253 PolarHBondContact O-N 3.39Å; D250-R253 PolarHBondContact O-N 2.97Å; A251-R253 VanDerWaalsContact C-N 3.31Å; R253-N255 VanDerWaalsContact C-N 3.26Å; R253-N255 PolarHBondContact O-N 3.19Å; R253-F256 CarbonylContact O-C 3.55Å; R253-F256 PolarHBondContact O-N 3.42Å; R253-E257 HydrophobicContact CG-CG 4.23Å; R253-E257 IonicContact CZ-OE1 2.73Å; R253-E257 IonicContact NE-OE1 3.99Å; R253-E257 PolarHBondContact NE-OE1 3.32Å; R253-E257 IonicContact NH2-OE1 3.24Å; R253-E257 PolarHBondContact NH2-OE1 2.99Å; R253-E257 WeakPolarHBondContact O-CB 3.38Å; R253-E257 WeakPolarHBondContact O-CG 3.24Å; R253-E257 PolarHBondContact O-N 3.48Å |
| 254 | A | 41.1 | Very low | 38.5 | Very low | 52 Ų | 52 | 112.5 Ų | 112.5 | 43% | 0.43 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.4 | -30.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D250 F256 R258 | D250-A254 WeakPolarHBondContact O-CB 3.47Å; D250-A254 PolarHBondContact O-N 3.34Å; A254-F256 VanDerWaalsContact C-N 3.33Å; A254-R258 PolarHBondContact O-N 3.2Å |
| 255 | N | 38.5 | Very low | 37.5 | Very low | 138 Ų | 138 | 115.8 Ų | 115.8 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.1 | -28.1 | 171.9 | -81.7 | -9.9 | 0 | 0 | 0 | 112.9 | A251 M252 R253 | A251-N255 PolarHBondContact O-N 2.98Å; A251-N255 VanDerWaalsContact O-N 3.14Å; M252-N255 WeakPolarHBondContact O-CB 3.16Å; M252-N255 PolarHBondContact O-N 3.15Å; R253-N255 VanDerWaalsContact C-N 3.26Å; R253-N255 PolarHBondContact O-N 3.19Å |
| 256 | F | 35.4 | Very low | 36.8 | Very low | 175 Ų | 175 | 119.2 Ų | 119.2 | 77% | 0.768 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -88.3 | -34.3 | 175 | -94.8 | -89 | 0 | 0 | 0 | 113.2 | M252 R253 A254 G259 | M252-F256 PolarHBondContact O-N 3.16Å; R253-F256 CarbonylContact O-C 3.55Å; R253-F256 PolarHBondContact O-N 3.42Å; A254-F256 VanDerWaalsContact C-N 3.33Å; F256-G259 PolarHBondContact O-N 3.48Å |
| 257 | E | 35 | Very low | 35.8 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 55% | 0.551 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -83.4 | -7.8 | -175.7 | -71.7 | -176 | 174.8 | 0 | 0 | 114 | R253 G259 | R253-E257 HydrophobicContact CG-CG 4.23Å; R253-E257 IonicContact CZ-OE1 2.73Å; R253-E257 IonicContact NE-OE1 3.99Å; R253-E257 PolarHBondContact NE-OE1 3.32Å; R253-E257 IonicContact NH2-OE1 3.24Å; R253-E257 PolarHBondContact NH2-OE1 2.99Å; R253-E257 WeakPolarHBondContact O-CB 3.38Å; R253-E257 WeakPolarHBondContact O-CG 3.24Å; R253-E257 PolarHBondContact O-N 3.48Å; E257-G259 PolarHBondContact O-N 2.91Å; E257-G259 VanDerWaalsContact O-N 3.1Å |
| 258 | R | 31.1 | Very low | 34.5 | Very low | 241 Ų | 241 | 129.1 Ų | 129.1 | 91% | 0.909 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 1.8 | 163.5 | -90.5 | -170 | -174.6 | -121.2 | 1.7 | 114 | A254 | A254-R258 PolarHBondContact O-N 3.2Š|
| 259 | G | 27.7 | Very low | 34.3 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -137.6 | 70.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F256 E257 | F256-G259 PolarHBondContact O-N 3.48Å; E257-G259 PolarHBondContact O-N 2.91Å; E257-G259 VanDerWaalsContact O-N 3.1Å |
| 260 | G | 28.3 | Very low | 34.4 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | trans | 160 | 113.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 261 | G | 25.4 | Very low | 34.7 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -73.5 | 152.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 262 | H | 22.6 | Very low | 36 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | trans | -31 | 127.3 | 162.1 | -106.6 | -82.1 | 0 | 0 | 0 | 113.9 | ||||
| 263 | V | 26.9 | Very low | 38.1 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 87% | 0.867 | 71% | 0.711 | S | S | * | * | trans | -137.3 | 115.3 | 151.1 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 264 | E | 24.9 | Very low | 40 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | -70.8 | 153 | 176.2 | -67.6 | 170.8 | 159.2 | 0 | 0 | 111.1 | E266 | E264-E266 PolarHBondContact O-N 2.85Š| ||
| 265 | E | 26.6 | Very low | 41.8 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | trans | -68 | 115 | -178 | -60.3 | 170 | 154 | 0 | 0 | 111.4 | ||||
| 266 | E | 26.1 | Very low | 44.1 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | trans | -134.7 | 121.8 | 154.9 | -76.3 | -169.1 | 159.1 | 0 | 0 | 109.9 | E264 D268 | E264-E266 PolarHBondContact O-N 2.85Å; E266-D268 PolarHBondContact O-N 3.01Å | ||
| 267 | E | 31.6 | Very low | 46.2 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 94% | 0.935 | 68% | 0.675 | S | S | * | * | trans | -69.6 | 88.1 | 176.6 | -67.5 | -179.5 | 138.6 | 0 | 0 | 110.5 | ||||
| 268 | D | 31.4 | Very low | 48.6 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | trans | -101.4 | 117 | 165.7 | -93.7 | -32.4 | 0 | 0 | 0 | 111 | E266 L270 | E266-D268 PolarHBondContact O-N 3.01Å; D268-L270 VanDerWaalsContact C-N 3.26Å; D268-L270 PolarHBondContact O-N 3.28Å | ||
| 269 | E | 41.7 | Very low | 50.7 | Low | 193 Ų | 193 | 121.7 Ų | 121.7 | 90% | 0.902 | 65% | 0.652 | S | S | * | * | trans | -56.5 | 82.7 | 170.6 | -68.9 | -176.7 | 144.9 | 0 | 0 | 111.2 | R271 | E269-R271 PolarHBondContact O-N 2.98Å; E269-R271 VanDerWaalsContact O-N 3.1Å | ||
| 270 | L | 51.3 | Low | 52.8 | Low | 133 Ų | 133 | 123 Ų | 123 | 70% | 0.696 | 65% | 0.647 | S | S | * | * | trans | -68.9 | 110.8 | 171.7 | -73.9 | 166 | 0 | 0 | 0 | 109.4 | D268 R302 | D268-L270 VanDerWaalsContact C-N 3.26Å; D268-L270 PolarHBondContact O-N 3.28Å; L270-R302 PolarHBondContact O-NH1 3.23Å | ||
| 271 | R | 56.9 | Low | 54.7 | Low | 235 Ų | 235 | 120.5 Ų | 120.5 | 89% | 0.887 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 143.6 | 170.7 | -68.6 | -178.8 | 176.7 | 150.2 | 1.8 | 110.6 | E269 | E269-R271 PolarHBondContact O-N 2.98Å; E269-R271 VanDerWaalsContact O-N 3.1Å |
| 272 | L | 77.3 | Confident | 55.8 | Low | 45 Ų | 45 | 124.1 Ų | 124.1 | 24% | 0.236 | 63% | 0.629 | C | S | . | * | P | Polyproline II helix | trans | -55.8 | 147.8 | 177.2 | -72.6 | 159.9 | 0 | 0 | 0 | 110.9 | W276 M278 F288 P301 R302 | L272-W276 HydrophobicContact CB-CB 4.23Å; L272-M278 HydrophobicContact CD1-CB 3.6Å; L272-F288 HydrophobicContact CD2-CD1 3.82Å; L272-F288 HydrophobicContact CD2-CE1 3.92Å; L272-P301 HydrophobicContact CD2-CG 4.25Å; L272-R302 HydrophobicContact CD2-CG 4.43Å |
| 273 | P | 81.2 | Confident | 57.6 | Low | 46 Ų | 46 | 121.1 Ų | 121.1 | 30% | 0.299 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 146.7 | 177 | -19.8 | 30.6 | 0 | 0 | 0 | 111.5 | G275 W276 P301 | P273-G275 PolarHBondContact O-N 2.71Å; P273-W276 VanDerWaalsContact O-CB 3.31Å; P273-W276 WeakPolarHBondContact O-CB 3.38Å; P273-W276 PolarHBondContact O-N 2.75Å; P273-P301 HydrophobicContact CG-CB 4.47Å; P273-P301 HydrophobicContact CG-CG 4.49Å |
| 274 | D | 78.2 | Confident | 59.1 | Low | 149 Ų | 149 | 116.8 Ų | 116.8 | 80% | 0.797 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | 128.4 | -178.9 | -90.1 | -1.4 | 0 | 0 | 0 | 112.6 | R292 | D274-R292 PolarHBondContact O-NH1 3.4Š|
| 275 | G | 79.9 | Confident | 60.7 | Low | 31 Ų | 31 | 116.2 Ų | 116.2 | 32% | 0.32 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 90 | 0.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P273 H291 | P273-G275 PolarHBondContact O-N 2.71Å; G275-H291 WeakPolarHBondContact O-CB 3.23Å; G275-H291 PolarHBondContact O-CD2 3.08Å; G275-H291 PolarHBondContact O-N 2.91Å |
| 276 | W | 87.2 | Confident | 62.9 | Low | 44 Ų | 44 | 109.6 Ų | 109.6 | 17% | 0.167 | 57% | 0.568 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.7 | 174.7 | -70.3 | 83.8 | 0 | 0 | 0 | 112.6 | L272 P273 F288 I289 D290 T297 P301 | L272-W276 HydrophobicContact CB-CB 4.23Å; P273-W276 VanDerWaalsContact O-CB 3.31Å; P273-W276 WeakPolarHBondContact O-CB 3.38Å; P273-W276 PolarHBondContact O-N 2.75Å; W276-F288 HydrophobicContact CE3-CB 3.85Å; W276-F288 HydrophobicContact CZ3-CB 3.88Å; W276-I289 CarbonylContact C-O 3.52Å; W276-I289 VanDerWaalsContact CA-O 3.24Å; W276-I289 WeakPolarHBondContact CA-O 3.47Å; W276-D290 HydrophobicContact CD2-CB 3.91Å; W276-D290 HydrophobicContact CE3-CB 3.9Å; W276-D290 HydrophobicContact CH2-CB 3.75Å; W276-D290 HydrophobicContact CZ2-CB 3.73Å; W276-D290 HydrophobicContact CZ3-CB 3.83Å; W276-T297 HydrophobicContact CH2-CG2 3.83Å; W276-T297 HydrophobicContact CZ3-CG2 3.57Å; W276-P301 HydrophobicContact CB-CG 4.37Å; W276-P301 HydrophobicContact CD2-CB 3.73Å; W276-P301 HydrophobicContact CD2-CG 3.58Å; W276-P301 HydrophobicContact CE3-CB 3.95Å; W276-P301 HydrophobicContact CE3-CG 3.61Å; W276-P301 HydrophobicContact CG-CB 4.32Å; W276-P301 HydrophobicContact CG-CG 3.96Å; W276-P301 HydrophobicContact CH2-CB 3.88Å; W276-P301 HydrophobicContact CH2-CG 4.41Å; W276-P301 HydrophobicContact CZ2-CB 3.67Å; W276-P301 HydrophobicContact CZ2-CG 4.41Å; W276-P301 HydrophobicContact CZ3-CB 4.02Å; W276-P301 HydrophobicContact CZ3-CG 4.03Å |
| 277 | D | 79.8 | Confident | 65.3 | Low | 78 Ų | 78 | 102.7 Ų | 102.7 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 156.6 | 167.5 | -96.3 | -16.9 | 0 | 0 | 0 | 111.1 | F288 I289 H291 | D277-F288 CarbonylContact O-C 3.53Å; D277-F288 WeakPolarHBondContact O-CA 3.24Å; D277-I289 HydrophobicContact CB-CB 4.3Å; D277-I289 PolarHBondContact N-O 3.27Å; D277-I289 PolarHBondContact O-N 3.15Å; D277-H291 WeakPolarHBondContact CB-NE2 3.2Å; D277-H291 VanDerWaalsContact CG-NE2 3.27Å; D277-H291 IonicContact OD2-CD2 3.95Å; D277-H291 IonicContact OD2-CE1 3.47Å; D277-H291 IonicContact OD2-NE2 3.43Å; D277-H291 PolarHBondContact OD2-NE2 2.83Å |
| 278 | M | 84.6 | Confident | 67.9 | Low | 102 Ų | 102 | 93.8 Ų | 93.8 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.3 | 174 | 176.6 | -176.8 | 68.3 | 0 | 0 | 109.5 | L272 T286 F288 | L272-M278 HydrophobicContact CD1-CB 3.6Å; M278-T286 HydrophobicContact CG-CG2 3.21Å; M278-T286 HydrophobicContact SD-CG2 3.54Å; M278-T286 VanDerWaalsContact SD-CG2 3.54Å; M278-F288 HydrophobicContact CB-CD1 4.07Å; M278-F288 HydrophobicContact CB-CE1 4.17Å; M278-F288 HydrophobicContact CG-CD1 4.19Å; M278-F288 HydrophobicContact CG-CE1 3.92Å; M278-F288 HydrophobicContact SD-CE1 4.02Å |
| 279 | Q | 74.6 | Confident | 70 | Confident | 100 Ų | 100 | 88.4 Ų | 88.4 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 158.1 | 174.7 | -75.9 | -170 | 14.2 | 0 | 0 | 111.6 | T286 F287 I289 | Q279-T286 CarbonylContact O-C 3.58Å; Q279-T286 VanDerWaalsContact O-CA 3.29Å; Q279-T286 WeakPolarHBondContact O-CA 3.39Å; Q279-F287 HydrophobicContact CB-CD1 4.22Å; Q279-F287 HydrophobicContact CB-CE1 3.53Å; Q279-F287 HydrophobicContact CB-CE2 4.2Å; Q279-F287 HydrophobicContact CB-CZ 3.53Å; Q279-F287 HydrophobicContact CG-CZ 4.43Å; Q279-F287 PolarHBondContact N-O 2.87Å; Q279-F287 WeakPolarHBondContact O-CD1 3.37Å; Q279-F287 PolarHBondContact O-N 3.38Å; Q279-I289 HydrophobicContact CB-CD1 4.34Å; Q279-I289 HydrophobicContact CG-CD1 3.93Å |
| 280 | V | 73.2 | Confident | 71.9 | Confident | 95 Ų | 95 | 79.8 Ų | 79.8 | 58% | 0.576 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119.4 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | ||
| 281 | A | 67.1 | Low | 72.9 | Confident | 16 Ų | 16 | 78.2 Ų | 78.2 | 13% | 0.132 | 41% | 0.413 | C | S | . | . | trans | -67.6 | 159.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N283 G284 R285 F287 W298 | A281-N283 VanDerWaalsContact CB-OD1 3.28Å; A281-N283 WeakPolarHBondContact CB-OD1 3.31Å; A281-N283 PolarHBondContact O-N 3.06Å; A281-G284 PolarHBondContact O-N 3.06Å; A281-R285 PolarHBondContact N-O 3Å; A281-F287 HydrophobicContact CB-CD1 4.09Å; A281-F287 HydrophobicContact CB-CE1 4.15Å; A281-W298 HydrophobicContact CB-CH2 3.98Å | ||
| 282 | P | 48.6 | Very low | 73.7 | Confident | 151 Ų | 151 | 74.8 Ų | 74.8 | 98% | 0.981 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -19.5 | -178.9 | -27 | 34.9 | 0 | 0 | 0 | 115.2 | G284 | P282-G284 VanDerWaalsContact C-N 3.27Š|
| 283 | N | 60.9 | Low | 73.9 | Confident | 109 Ų | 109 | 76.6 Ų | 76.6 | 58% | 0.583 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 8.4 | 174.6 | 65.9 | 0.4 | 0 | 0 | 0 | 113.7 | A281 R285 | A281-N283 VanDerWaalsContact CB-OD1 3.28Å; A281-N283 WeakPolarHBondContact CB-OD1 3.31Å; A281-N283 PolarHBondContact O-N 3.06Å; N283-R285 VanDerWaalsContact C-N 3.27Å; N283-R285 PolarHBondContact O-N 2.86Å; N283-R285 WeakPolarHBondContact OD1-CB 3.44Å; N283-R285 PolarHBondContact OD1-N 3.19Å |
| 284 | G | 58 | Low | 73.4 | Confident | 52 Ų | 52 | 83.3 Ų | 83.3 | 54% | 0.536 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 79 | -1.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A281 P282 | A281-G284 PolarHBondContact O-N 3.06Å; P282-G284 VanDerWaalsContact C-N 3.27Å |
| 285 | R | 59.6 | Low | 72.7 | Confident | 149 Ų | 149 | 79.4 Ų | 79.4 | 56% | 0.562 | 42% | 0.419 | S | S | * | . | trans | -81.8 | 131.4 | 178.5 | -68.5 | -176.3 | 70.6 | 175 | 1.7 | 111 | A281 N283 W298 | A281-R285 PolarHBondContact N-O 3Å; N283-R285 VanDerWaalsContact C-N 3.27Å; N283-R285 PolarHBondContact O-N 2.86Å; N283-R285 WeakPolarHBondContact OD1-CB 3.44Å; N283-R285 PolarHBondContact OD1-N 3.19Å; R285-W298 HydrophobicContact CB-CE3 4.18Å; R285-W298 HydrophobicContact CB-CH2 4.15Å; R285-W298 HydrophobicContact CB-CZ3 3.43Å; R285-W298 VanDerWaalsContact CB-CZ3 3.43Å | ||
| 286 | T | 71.3 | Confident | 72.5 | Confident | 58 Ų | 58 | 82.5 Ų | 82.5 | 36% | 0.356 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.4 | 172.6 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | M278 Q279 F288 W298 | M278-T286 HydrophobicContact CG-CG2 3.21Å; M278-T286 HydrophobicContact SD-CG2 3.54Å; M278-T286 VanDerWaalsContact SD-CG2 3.54Å; Q279-T286 CarbonylContact O-C 3.58Å; Q279-T286 VanDerWaalsContact O-CA 3.29Å; Q279-T286 WeakPolarHBondContact O-CA 3.39Å; T286-F288 HydrophobicContact CG2-CZ 4.22Å; T286-W298 VanDerWaalsContact O-CE3 3.31Å |
| 287 | F | 76.7 | Confident | 72 | Confident | 33 Ų | 33 | 82.4 Ų | 82.4 | 15% | 0.145 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156.2 | 170.3 | 69 | -79.4 | 0 | 0 | 0 | 110.2 | Q279 A281 I289 T296 W298 | Q279-F287 HydrophobicContact CB-CD1 4.22Å; Q279-F287 HydrophobicContact CB-CE1 3.53Å; Q279-F287 HydrophobicContact CB-CE2 4.2Å; Q279-F287 HydrophobicContact CB-CZ 3.53Å; Q279-F287 HydrophobicContact CG-CZ 4.43Å; Q279-F287 PolarHBondContact N-O 2.87Å; Q279-F287 WeakPolarHBondContact O-CD1 3.37Å; Q279-F287 PolarHBondContact O-N 3.38Å; A281-F287 HydrophobicContact CB-CD1 4.09Å; A281-F287 HydrophobicContact CB-CE1 4.15Å; F287-I289 HydrophobicContact CD2-CD1 4.43Å; F287-I289 HydrophobicContact CD2-CG1 3.9Å; F287-I289 HydrophobicContact CE2-CD1 3.63Å; F287-I289 HydrophobicContact CE2-CG1 3.58Å; F287-I289 HydrophobicContact CZ-CD1 4.21Å; F287-T296 HydrophobicContact CD2-CG2 4.12Å; F287-T296 HydrophobicContact CE2-CG2 4.03Å; F287-W298 HydrophobicContact CB-CD2 4.16Å; F287-W298 HydrophobicContact CB-CE3 3.69Å; F287-W298 HydrophobicContact CB-CH2 4.14Å; F287-W298 HydrophobicContact CB-CZ3 3.67Å; F287-W298 HydrophobicContact CD1-CH2 4.43Å; F287-W298 HydrophobicContact CD1-CZ3 4.39Å; F287-W298 HydrophobicContact CG-CZ3 4.44Å |
| 288 | F | 86.2 | Confident | 71.8 | Confident | 13 Ų | 13 | 84.7 Ų | 84.7 | 6% | 0.057 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138 | -175.7 | -55 | -88.6 | 0 | 0 | 0 | 109.9 | L272 W276 D277 M278 T286 T296 T297 T299 D300 P301 | L272-F288 HydrophobicContact CD2-CD1 3.82Å; L272-F288 HydrophobicContact CD2-CE1 3.92Å; W276-F288 HydrophobicContact CE3-CB 3.85Å; W276-F288 HydrophobicContact CZ3-CB 3.88Å; D277-F288 CarbonylContact O-C 3.53Å; D277-F288 WeakPolarHBondContact O-CA 3.24Å; M278-F288 HydrophobicContact CB-CD1 4.07Å; M278-F288 HydrophobicContact CB-CE1 4.17Å; M278-F288 HydrophobicContact CG-CD1 4.19Å; M278-F288 HydrophobicContact CG-CE1 3.92Å; M278-F288 HydrophobicContact SD-CE1 4.02Å; T286-F288 HydrophobicContact CG2-CZ 4.22Å; F288-T296 CarbonylContact O-C 3.58Å; F288-T296 VanDerWaalsContact O-CA 3.3Å; F288-T296 WeakPolarHBondContact O-CA 3.43Å; F288-T297 HydrophobicContact CB-CG2 4.13Å; F288-T297 PolarHBondContact N-O 3.43Å; F288-T297 PolarHBondContact O-N 3.23Å; F288-T299 WeakPolarHBondContact CD2-O 3.34Å; F288-D300 HydrophobicContact CD2-CB 4.44Å; F288-D300 HydrophobicContact CE1-CB 4.45Å; F288-D300 VanDerWaalsContact CE2-CA 3.42Å; F288-D300 HydrophobicContact CE2-CB 3.74Å; F288-D300 HydrophobicContact CZ-CB 3.74Å; F288-D300 VanDerWaalsContact CZ-CG 3.47Å; F288-D300 VanDerWaalsContact CZ-OD2 3.27Å; F288-D300 WeakPolarHBondContact CZ-OD2 3.49Å; F288-P301 HydrophobicContact CB-CG 4.44Å; F288-P301 HydrophobicContact CD1-CG 4.42Å; F288-P301 HydrophobicContact CG-CG 4.5Å |
| 289 | I | 76.5 | Confident | 71.2 | Confident | 25 Ų | 25 | 84 Ų | 84 | 13% | 0.128 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 118 | -173.5 | -47.3 | -178.1 | 0 | 0 | 0 | 107.7 | W276 D277 Q279 F287 T295 T296 | W276-I289 CarbonylContact C-O 3.52Å; W276-I289 VanDerWaalsContact CA-O 3.24Å; W276-I289 WeakPolarHBondContact CA-O 3.47Å; D277-I289 HydrophobicContact CB-CB 4.3Å; D277-I289 PolarHBondContact N-O 3.27Å; D277-I289 PolarHBondContact O-N 3.15Å; Q279-I289 HydrophobicContact CB-CD1 4.34Å; Q279-I289 HydrophobicContact CG-CD1 3.93Å; F287-I289 HydrophobicContact CD2-CD1 4.43Å; F287-I289 HydrophobicContact CD2-CG1 3.9Å; F287-I289 HydrophobicContact CE2-CD1 3.63Å; F287-I289 HydrophobicContact CE2-CG1 3.58Å; F287-I289 HydrophobicContact CZ-CD1 4.21Å; I289-T295 WeakPolarHBondContact CA-O 3.43Å; I289-T296 HydrophobicContact CB-CG2 4.45Å; I289-T296 HydrophobicContact CG1-CG2 4.09Å; I289-T296 HydrophobicContact CG2-CG2 4.18Å |
| 290 | D | 80.6 | Confident | 71.2 | Confident | 12 Ų | 12 | 80.6 Ų | 80.6 | 6% | 0.064 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 105.1 | 170.8 | -179.7 | 8.3 | 0 | 0 | 0 | 109.3 | W276 R292 T293 K294 T295 | W276-D290 HydrophobicContact CD2-CB 3.91Å; W276-D290 HydrophobicContact CE3-CB 3.9Å; W276-D290 HydrophobicContact CH2-CB 3.75Å; W276-D290 HydrophobicContact CZ2-CB 3.73Å; W276-D290 HydrophobicContact CZ3-CB 3.83Å; D290-R292 PolarHBondContact O-N 2.87Å; D290-R292 VanDerWaalsContact OD1-CB 3.3Å; D290-R292 WeakPolarHBondContact OD1-CB 3.37Å; D290-R292 PolarHBondContact OD1-N 2.9Å; D290-R292 IonicContact OD1-NE 3.91Å; D290-R292 PolarHBondContact OD1-NE 3.46Å; D290-R292 IonicContact OD1-NH2 3.37Å; D290-T293 WeakPolarHBondContact CB-OG1 3.32Å; D290-T293 VanDerWaalsContact CG-OG1 3.23Å; D290-T293 PolarHBondContact O-N 2.93Å; D290-T293 WeakPolarHBondContact OD2-CG2 3.49Å; D290-T293 PolarHBondContact OD2-OG1 2.94Å; D290-K294 VanDerWaalsContact O-CA 3.23Å; D290-K294 WeakPolarHBondContact O-CA 3.38Å; D290-K294 PolarHBondContact O-N 2.85Å; D290-T295 PolarHBondContact N-O 3.41Å; D290-T295 PolarHBondContact O-N 3.28Å |
| 291 | H | 73.6 | Confident | 71.4 | Confident | 99 Ų | 99 | 77.7 Ų | 77.7 | 46% | 0.458 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18 | 179.4 | -70.9 | -72.6 | 0 | 0 | 0 | 113.4 | G275 D277 | G275-H291 WeakPolarHBondContact O-CB 3.23Å; G275-H291 PolarHBondContact O-CD2 3.08Å; G275-H291 PolarHBondContact O-N 2.91Å; D277-H291 WeakPolarHBondContact CB-NE2 3.2Å; D277-H291 VanDerWaalsContact CG-NE2 3.27Å; D277-H291 IonicContact OD2-CD2 3.95Å; D277-H291 IonicContact OD2-CE1 3.47Å; D277-H291 IonicContact OD2-NE2 3.43Å; D277-H291 PolarHBondContact OD2-NE2 2.83Å |
| 292 | R | 73.3 | Confident | 71.9 | Confident | 164 Ų | 164 | 81 Ų | 81 | 62% | 0.619 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -41 | 178.7 | -58.2 | 173.5 | -65.8 | -171.3 | 3.5 | 111.4 | D274 D290 | D274-R292 PolarHBondContact O-NH1 3.4Å; D290-R292 PolarHBondContact O-N 2.87Å; D290-R292 VanDerWaalsContact OD1-CB 3.3Å; D290-R292 WeakPolarHBondContact OD1-CB 3.37Å; D290-R292 PolarHBondContact OD1-N 2.9Å; D290-R292 IonicContact OD1-NE 3.91Å; D290-R292 PolarHBondContact OD1-NE 3.46Å; D290-R292 IonicContact OD1-NH2 3.37Å |
| 293 | T | 80.8 | Confident | 72.5 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -8.8 | 178 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | D290 T295 | D290-T293 WeakPolarHBondContact CB-OG1 3.32Å; D290-T293 VanDerWaalsContact CG-OG1 3.23Å; D290-T293 PolarHBondContact O-N 2.93Å; D290-T293 WeakPolarHBondContact OD2-CG2 3.49Å; D290-T293 PolarHBondContact OD2-OG1 2.94Å; T293-T295 PolarHBondContact O-N 3.46Å; T293-T295 PolarHBondContact OG1-OG1 3.3Å |
| 294 | K | 70.1 | Confident | 72.1 | Confident | 187 Ų | 187 | 78.6 Ų | 78.6 | 81% | 0.813 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 39.3 | -171 | -57.7 | -166.2 | 177.6 | -171.9 | 0 | 112.1 | D290 | D290-K294 VanDerWaalsContact O-CA 3.23Å; D290-K294 WeakPolarHBondContact O-CA 3.38Å; D290-K294 PolarHBondContact O-N 2.85Å |
| 295 | T | 65.3 | Low | 71.5 | Confident | 68 Ų | 68 | 78 Ų | 78 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 155.8 | 178.3 | 63.1 | 0 | 0 | 0 | 0 | 110.9 | I289 D290 T293 | I289-T295 WeakPolarHBondContact CA-O 3.43Å; D290-T295 PolarHBondContact N-O 3.41Å; D290-T295 PolarHBondContact O-N 3.28Å; T293-T295 PolarHBondContact O-N 3.46Å; T293-T295 PolarHBondContact OG1-OG1 3.3Å |
| 296 | T | 75.7 | Confident | 70.6 | Confident | 96 Ų | 96 | 74.9 Ų | 74.9 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145.1 | 173.3 | 58.1 | 0 | 0 | 0 | 0 | 109.6 | F287 F288 I289 | F287-T296 HydrophobicContact CD2-CG2 4.12Å; F287-T296 HydrophobicContact CE2-CG2 4.03Å; F288-T296 CarbonylContact O-C 3.58Å; F288-T296 VanDerWaalsContact O-CA 3.3Å; F288-T296 WeakPolarHBondContact O-CA 3.43Å; I289-T296 HydrophobicContact CB-CG2 4.45Å; I289-T296 HydrophobicContact CG1-CG2 4.09Å; I289-T296 HydrophobicContact CG2-CG2 4.18Å |
| 297 | T | 74.8 | Confident | 69 | Low | 42 Ų | 42 | 76.7 Ų | 76.7 | 26% | 0.258 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.4 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | W276 F288 T299 | W276-T297 HydrophobicContact CH2-CG2 3.83Å; W276-T297 HydrophobicContact CZ3-CG2 3.57Å; F288-T297 HydrophobicContact CB-CG2 4.13Å; F288-T297 PolarHBondContact N-O 3.43Å; F288-T297 PolarHBondContact O-N 3.23Å; T297-T299 VanDerWaalsContact C-N 3.34Å; T297-T299 VanDerWaalsContact CG2-O 3.3Å; T297-T299 WeakPolarHBondContact CG2-O 3.49Å; T297-T299 PolarHBondContact OG1-N 3.02Å; T297-T299 VanDerWaalsContact OG1-N 3.11Å |
| 298 | W | 76.1 | Confident | 66.9 | Low | 126 Ų | 126 | 86.7 Ų | 86.7 | 48% | 0.477 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -90.3 | -4.7 | 172.7 | -62.4 | 100.8 | 0 | 0 | 0 | 112.6 | A281 R285 T286 F287 | A281-W298 HydrophobicContact CB-CH2 3.98Å; R285-W298 HydrophobicContact CB-CE3 4.18Å; R285-W298 HydrophobicContact CB-CH2 4.15Å; R285-W298 HydrophobicContact CB-CZ3 3.43Å; R285-W298 VanDerWaalsContact CB-CZ3 3.43Å; T286-W298 VanDerWaalsContact O-CE3 3.31Å; F287-W298 HydrophobicContact CB-CD2 4.16Å; F287-W298 HydrophobicContact CB-CE3 3.69Å; F287-W298 HydrophobicContact CB-CH2 4.14Å; F287-W298 HydrophobicContact CB-CZ3 3.67Å; F287-W298 HydrophobicContact CD1-CH2 4.43Å; F287-W298 HydrophobicContact CD1-CZ3 4.39Å; F287-W298 HydrophobicContact CG-CZ3 4.44Å |
| 299 | T | 71.7 | Confident | 64.4 | Low | 86 Ų | 86 | 91.1 Ų | 91.1 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -96.4 | 128.1 | -179.4 | -50.2 | 0 | 0 | 0 | 0 | 109.4 | F288 T297 | F288-T299 WeakPolarHBondContact CD2-O 3.34Å; T297-T299 VanDerWaalsContact C-N 3.34Å; T297-T299 VanDerWaalsContact CG2-O 3.3Å; T297-T299 WeakPolarHBondContact CG2-O 3.49Å; T297-T299 PolarHBondContact OG1-N 3.02Å; T297-T299 VanDerWaalsContact OG1-N 3.11Å |
| 300 | D | 75.2 | Confident | 62.1 | Low | 30 Ų | 30 | 94.7 Ų | 94.7 | 16% | 0.16 | 52% | 0.52 | C | S | . | . | trans | -63 | 125.4 | 177.3 | -162.6 | -42.6 | 0 | 0 | 0 | 110.5 | F288 R302 A305 | F288-D300 HydrophobicContact CD2-CB 4.44Å; F288-D300 HydrophobicContact CE1-CB 4.45Å; F288-D300 VanDerWaalsContact CE2-CA 3.42Å; F288-D300 HydrophobicContact CE2-CB 3.74Å; F288-D300 HydrophobicContact CZ-CB 3.74Å; F288-D300 VanDerWaalsContact CZ-CG 3.47Å; F288-D300 VanDerWaalsContact CZ-OD2 3.27Å; F288-D300 WeakPolarHBondContact CZ-OD2 3.49Å; D300-R302 PolarHBondContact O-N 3.24Å; D300-R302 VanDerWaalsContact OD1-CB 3.31Å; D300-R302 WeakPolarHBondContact OD1-CB 3.21Å; D300-R302 WeakPolarHBondContact OD1-CG 3.35Å; D300-R302 IonicContact OD1-CZ 3.77Å; D300-R302 PolarHBondContact OD1-N 3.06Å; D300-R302 IonicContact OD1-NE 3.59Å; D300-R302 PolarHBondContact OD1-NE 2.98Å; D300-R302 IonicContact OD1-NH2 2.74Å; D300-R302 IonicContact OD2-CZ 3.77Å; D300-R302 VanDerWaalsContact OD2-CZ 3.31Å; D300-R302 IonicContact OD2-NE 2.88Å; D300-R302 PolarHBondContact OD2-NE 3.4Å; D300-R302 IonicContact OD2-NH2 3.81Å; D300-R302 PolarHBondContact OD2-NH2 3.48Å; D300-A305 HydrophobicContact CB-CB 4.03Å | ||
| 301 | P | 76.4 | Confident | 59.7 | Low | 34 Ų | 34 | 102 Ų | 102 | 22% | 0.221 | 56% | 0.558 | C | S | . | * | trans | -76.1 | -7.8 | -178.4 | 32.9 | -39.2 | 0 | 0 | 0 | 113.6 | L272 P273 W276 F288 | L272-P301 HydrophobicContact CD2-CG 4.25Å; P273-P301 HydrophobicContact CG-CB 4.47Å; P273-P301 HydrophobicContact CG-CG 4.49Å; W276-P301 HydrophobicContact CB-CG 4.37Å; W276-P301 HydrophobicContact CD2-CB 3.73Å; W276-P301 HydrophobicContact CD2-CG 3.58Å; W276-P301 HydrophobicContact CE3-CB 3.95Å; W276-P301 HydrophobicContact CE3-CG 3.61Å; W276-P301 HydrophobicContact CG-CB 4.32Å; W276-P301 HydrophobicContact CG-CG 3.96Å; W276-P301 HydrophobicContact CH2-CB 3.88Å; W276-P301 HydrophobicContact CH2-CG 4.41Å; W276-P301 HydrophobicContact CZ2-CB 3.67Å; W276-P301 HydrophobicContact CZ2-CG 4.41Å; W276-P301 HydrophobicContact CZ3-CB 4.02Å; W276-P301 HydrophobicContact CZ3-CG 4.03Å; F288-P301 HydrophobicContact CB-CG 4.44Å; F288-P301 HydrophobicContact CD1-CG 4.42Å; F288-P301 HydrophobicContact CG-CG 4.5Å | ||
| 302 | R | 79.5 | Confident | 57.6 | Low | 85 Ų | 85 | 104.5 Ų | 104.5 | 32% | 0.321 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -70.6 | 124.9 | 179 | -68.9 | 173 | -74 | -172.4 | 0.9 | 110.2 | L270 L272 D300 G304 A305 | L270-R302 PolarHBondContact O-NH1 3.23Å; L272-R302 HydrophobicContact CD2-CG 4.43Å; D300-R302 PolarHBondContact O-N 3.24Å; D300-R302 VanDerWaalsContact OD1-CB 3.31Å; D300-R302 WeakPolarHBondContact OD1-CB 3.21Å; D300-R302 WeakPolarHBondContact OD1-CG 3.35Å; D300-R302 IonicContact OD1-CZ 3.77Å; D300-R302 PolarHBondContact OD1-N 3.06Å; D300-R302 IonicContact OD1-NE 3.59Å; D300-R302 PolarHBondContact OD1-NE 2.98Å; D300-R302 IonicContact OD1-NH2 2.74Å; D300-R302 IonicContact OD2-CZ 3.77Å; D300-R302 VanDerWaalsContact OD2-CZ 3.31Å; D300-R302 IonicContact OD2-NE 2.88Å; D300-R302 PolarHBondContact OD2-NE 3.4Å; D300-R302 IonicContact OD2-NH2 3.81Å; D300-R302 PolarHBondContact OD2-NH2 3.48Å; R302-G304 PolarHBondContact O-N 2.88Å; R302-A305 HydrophobicContact CB-CB 3.93Å; R302-A305 WeakPolarHBondContact O-CB 3.48Å; R302-A305 PolarHBondContact O-N 3.46Å; R302-A305 VanDerWaalsContact O-N 3.13Å |
| 303 | P | 60 | Low | 55.5 | Low | 128 Ų | 128 | 108.1 Ų | 108.1 | 83% | 0.831 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 126.5 | 177 | -18.5 | 29.8 | 0 | 0 | 0 | 110.2 | ||
| 304 | G | 52.4 | Low | 53.1 | Low | 82 Ų | 82 | 106.8 Ų | 106.8 | 85% | 0.845 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.2 | -9.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R302 A306 | R302-G304 PolarHBondContact O-N 2.88Å; G304-A306 PolarHBondContact O-N 3.32Å |
| 305 | A | 45.9 | Very low | 51.2 | Low | 39 Ų | 39 | 107.5 Ų | 107.5 | 32% | 0.322 | 59% | 0.593 | S | S | . | * | trans | -75.4 | 67.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | D300 R302 T307 | D300-A305 HydrophobicContact CB-CB 4.03Å; R302-A305 HydrophobicContact CB-CB 3.93Å; R302-A305 WeakPolarHBondContact O-CB 3.48Å; R302-A305 PolarHBondContact O-N 3.46Å; R302-A305 VanDerWaalsContact O-N 3.13Å; A305-T307 PolarHBondContact O-N 2.75Å; A305-T307 VanDerWaalsContact O-N 3.1Å | ||
| 306 | A | 40.1 | Very low | 50 | Low | 83 Ų | 83 | 110.1 Ų | 110.1 | 69% | 0.686 | 61% | 0.609 | S | S | * | * | trans | -53.7 | 120.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | G304 R308 | G304-A306 PolarHBondContact O-N 3.32Å; A306-R308 PolarHBondContact O-N 2.97Å | ||
| 307 | T | 39.1 | Very low | 48.5 | Very low | 96 Ų | 96 | 111.9 Ų | 111.9 | 59% | 0.589 | 62% | 0.615 | S | S | * | * | trans | -20.8 | 96.6 | 176.1 | 17.9 | 0 | 0 | 0 | 0 | 112.5 | A305 V309 | A305-T307 PolarHBondContact O-N 2.75Å; A305-T307 VanDerWaalsContact O-N 3.1Å; T307-V309 PolarHBondContact O-N 2.98Å | ||
| 308 | R | 32.7 | Very low | 47.4 | Very low | 243 Ų | 243 | 111.4 Ų | 111.4 | 92% | 0.917 | 61% | 0.611 | S | S | * | * | trans | -68.9 | 76.9 | 156.6 | -82.4 | -176.1 | 153.4 | 177.7 | -4.3 | 106.2 | A306 P310 | A306-R308 PolarHBondContact O-N 2.97Å; R308-P310 VanDerWaalsContact O-CD 3.22Å; R308-P310 WeakPolarHBondContact O-CD 3.48Å | ||
| 309 | V | 32.9 | Very low | 46.6 | Very low | 107 Ų | 107 | 111 Ų | 111 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | trans | -59 | 115.6 | 161 | -168.3 | 0 | 0 | 0 | 0 | 103.7 | T307 L311 | T307-V309 PolarHBondContact O-N 2.98Å; V309-L311 PolarHBondContact O-N 2.93Å; V309-L311 VanDerWaalsContact O-N 3.09Å | ||
| 310 | P | 28.8 | Very low | 46.2 | Very low | 100 Ų | 100 | 107.9 Ų | 107.9 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | trans | -54.1 | 128.3 | 170.7 | -20.6 | 32.4 | 0 | 0 | 0 | 105.9 | R308 L312 | R308-P310 VanDerWaalsContact O-CD 3.22Å; R308-P310 WeakPolarHBondContact O-CD 3.48Å; P310-L312 PolarHBondContact O-N 3.41Å | ||
| 311 | L | 28.6 | Very low | 45.9 | Very low | 164 Ų | 164 | 108.3 Ų | 108.3 | 86% | 0.859 | 61% | 0.606 | S | S | * | * | trans | -61.6 | 70.2 | 163.7 | -90.5 | 99.2 | 0 | 0 | 0 | 107.7 | V309 R313 | V309-L311 PolarHBondContact O-N 2.93Å; V309-L311 VanDerWaalsContact O-N 3.09Å; L311-R313 PolarHBondContact O-N 3.49Å | ||
| 312 | L | 30.3 | Very low | 45.8 | Very low | 153 Ų | 153 | 111 Ų | 111 | 80% | 0.801 | 63% | 0.631 | S | S | * | * | trans | -64.5 | 96.3 | 147 | -76.2 | 168.6 | 0 | 0 | 0 | 103 | P310 G314 | P310-L312 PolarHBondContact O-N 3.41Å; L312-G314 PolarHBondContact O-N 3.3Å | ||
| 313 | R | 28.4 | Very low | 45.7 | Very low | 240 Ų | 240 | 109 Ų | 109 | 91% | 0.906 | 63% | 0.626 | S | S | * | * | trans | -54.2 | 63 | 156.1 | -78.9 | 176.4 | 159.3 | -179 | -4.8 | 109 | L311 | L311-R313 PolarHBondContact O-N 3.49Š| ||
| 314 | G | 30.8 | Very low | 46.7 | Very low | 54 Ų | 54 | 105.3 Ų | 105.3 | 56% | 0.557 | 60% | 0.603 | S | S | * | * | trans | -96 | 91.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 104.4 | L312 T316 | L312-G314 PolarHBondContact O-N 3.3Å; G314-T316 PolarHBondContact O-N 3.49Å | ||
| 315 | K | 30.8 | Very low | 47.9 | Very low | 202 Ų | 202 | 105.7 Ų | 105.7 | 88% | 0.878 | 60% | 0.597 | S | S | * | * | trans | -49.2 | 103.9 | 154.1 | -81.3 | 179.3 | 171.2 | -176.7 | 0 | 105 | D317 | K315-D317 PolarHBondContact O-N 2.99Å; K315-D317 VanDerWaalsContact O-N 3.09Å | ||
| 316 | T | 39.3 | Very low | 49.6 | Very low | 122 Ų | 122 | 105.2 Ų | 105.2 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | trans | -64.6 | 112.4 | 163 | 49.2 | 0 | 0 | 0 | 0 | 104.1 | G314 D318 | G314-T316 PolarHBondContact O-N 3.49Å; T316-D318 PolarHBondContact O-N 2.81Å | ||
| 317 | D | 45.2 | Very low | 51.8 | Low | 134 Ų | 134 | 102.8 Ų | 102.8 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | trans | -67.6 | 34.7 | -174.8 | -154.3 | 27.8 | 0 | 0 | 0 | 112.5 | K315 | K315-D317 PolarHBondContact O-N 2.99Å; K315-D317 VanDerWaalsContact O-N 3.09Å | ||
| 318 | D | 51.8 | Low | 54 | Low | 32 Ų | 32 | 101.1 Ų | 101.1 | 17% | 0.171 | 56% | 0.555 | C | S | . | * | trans | -104.8 | 90.7 | -172.2 | -101.9 | 29.8 | 0 | 0 | 0 | 109.3 | T316 I320 G321 R353 K634 | T316-D318 PolarHBondContact O-N 2.81Å; D318-I320 PolarHBondContact O-N 2.93Å; D318-G321 PolarHBondContact O-N 3.24Å; D318-G321 VanDerWaalsContact O-N 3.13Å; D318-R353 IonicContact OD2-CZ 2.8Å; D318-R353 IonicContact OD2-NH1 2.64Å; D318-R353 PolarHBondContact OD2-NH1 2.91Å; D318-R353 IonicContact OD2-NH2 3.23Å; D318-R353 PolarHBondContact OD2-NH2 3.42Å; D318-K634 IonicContact OD1-NZ 2.76Å; D318-K634 PolarHBondContact OD1-NZ 3.39Å; D318-K634 IonicContact OD2-NZ 2.97Å | ||
| 319 | E | 57.9 | Low | 56.4 | Low | 118 Ų | 118 | 92.7 Ų | 92.7 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -9 | 174.6 | -63.2 | 169.4 | 134.5 | 0 | 0 | 114.2 | G321 K707 | E319-G321 VanDerWaalsContact C-N 3.25Å; E319-G321 PolarHBondContact O-N 3.42Å; E319-K707 IonicContact OE1-NZ 3.33Å; E319-K707 PolarHBondContact OE1-NZ 3.37Å; E319-K707 IonicContact OE2-NZ 3.93Å; E319-K707 PolarHBondContact OE2-NZ 3.45Å |
| 320 | I | 64.3 | Low | 58.7 | Low | 20 Ų | 20 | 93.6 Ų | 93.6 | 10% | 0.103 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -8.6 | 178.5 | -50.3 | 178.8 | 0 | 0 | 0 | 111.4 | D318 K634 L637 | D318-I320 PolarHBondContact O-N 2.93Å; I320-K634 HydrophobicContact CD1-CB 4.36Å; I320-K634 HydrophobicContact CD1-CD 4.28Å; I320-K634 HydrophobicContact CD1-CG 3.33Å; I320-K634 WeakPolarHBondContact CD1-O 3.4Å; I320-L637 HydrophobicContact CD1-CB 4.42Å |
| 321 | G | 68.3 | Low | 60.7 | Low | 39 Ų | 39 | 93.5 Ų | 93.5 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | trans | 87.5 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | D318 E319 R353 | D318-G321 PolarHBondContact O-N 3.24Å; D318-G321 VanDerWaalsContact O-N 3.13Å; E319-G321 VanDerWaalsContact C-N 3.25Å; E319-G321 PolarHBondContact O-N 3.42Å; G321-R353 PolarHBondContact O-NH1 3.18Å | ||
| 322 | A | 75.6 | Confident | 62.9 | Low | 91 Ų | 91 | 89.9 Ų | 89.9 | 75% | 0.752 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 148.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 323 | L | 77 | Confident | 64.7 | Low | 42 Ų | 42 | 87.6 Ų | 87.6 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 149.5 | 168.5 | -69.7 | 168 | 0 | 0 | 0 | 110.2 | W327 Q329 F339 P352 | L323-W327 HydrophobicContact CB-CB 3.93Å; L323-W327 HydrophobicContact CD1-CB 4.47Å; L323-Q329 HydrophobicContact CD1-CB 3.78Å; L323-F339 HydrophobicContact CD2-CD1 3.87Å; L323-F339 HydrophobicContact CD2-CE1 3.85Å; L323-P352 HydrophobicContact CD2-CG 3.94Å |
| 324 | P | 79.7 | Confident | 66.6 | Low | 51 Ų | 51 | 80 Ų | 80 | 33% | 0.331 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 155.4 | 174.5 | -20 | 31.3 | 0 | 0 | 0 | 111.6 | G326 W327 P352 | P324-G326 PolarHBondContact O-N 2.86Å; P324-W327 WeakPolarHBondContact O-CB 3.46Å; P324-W327 PolarHBondContact O-N 2.91Å; P324-P352 HydrophobicContact CG-CB 4.23Å; P324-P352 HydrophobicContact CG-CG 4.29Å |
| 325 | A | 79.3 | Confident | 68 | Low | 89 Ų | 89 | 79.4 Ų | 79.4 | 74% | 0.736 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 131.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N343 | A325-N343 PolarHBondContact O-ND2 3.27Š|
| 326 | G | 80.9 | Confident | 69.7 | Low | 30 Ų | 30 | 74.1 Ų | 74.1 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | P324 H342 | P324-G326 PolarHBondContact O-N 2.86Å; G326-H342 VanDerWaalsContact O-CB 3.28Å; G326-H342 WeakPolarHBondContact O-CB 3.39Å; G326-H342 PolarHBondContact O-CD2 3.16Å; G326-H342 PolarHBondContact O-N 3.44Å |
| 327 | W | 86.1 | Confident | 71.4 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 12% | 0.121 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 139.1 | 173.6 | -70.6 | 82.2 | 0 | 0 | 0 | 112.6 | L323 P324 F339 I340 D341 Q348 P352 | L323-W327 HydrophobicContact CB-CB 3.93Å; L323-W327 HydrophobicContact CD1-CB 4.47Å; P324-W327 WeakPolarHBondContact O-CB 3.46Å; P324-W327 PolarHBondContact O-N 2.91Å; W327-F339 HydrophobicContact CE3-CB 3.91Å; W327-F339 HydrophobicContact CZ3-CB 3.93Å; W327-I340 CarbonylContact C-O 3.57Å; W327-I340 VanDerWaalsContact CA-O 3.3Å; W327-I340 WeakPolarHBondContact CA-O 3.43Å; W327-D341 HydrophobicContact CD2-CB 4.11Å; W327-D341 HydrophobicContact CE3-CB 4.02Å; W327-D341 HydrophobicContact CH2-CB 3.66Å; W327-D341 HydrophobicContact CZ2-CB 3.73Å; W327-D341 WeakPolarHBondContact CZ2-OD2 3.35Å; W327-D341 HydrophobicContact CZ3-CB 3.81Å; W327-Q348 HydrophobicContact CH2-CG 4.08Å; W327-Q348 VanDerWaalsContact CH2-NE2 3.34Å; W327-Q348 HydrophobicContact CZ3-CG 3.79Å; W327-P352 HydrophobicContact CB-CG 4.31Å; W327-P352 HydrophobicContact CD2-CB 3.59Å; W327-P352 HydrophobicContact CD2-CG 3.51Å; W327-P352 VanDerWaalsContact CE2-CB 3.49Å; W327-P352 HydrophobicContact CE3-CB 3.79Å; W327-P352 HydrophobicContact CE3-CG 3.55Å; W327-P352 HydrophobicContact CG-CB 4.21Å; W327-P352 HydrophobicContact CG-CG 3.87Å; W327-P352 HydrophobicContact CH2-CB 3.79Å; W327-P352 HydrophobicContact CH2-CG 4.44Å; W327-P352 HydrophobicContact CZ2-CB 3.6Å; W327-P352 HydrophobicContact CZ2-CG 4.43Å; W327-P352 HydrophobicContact CZ3-CB 3.88Å; W327-P352 HydrophobicContact CZ3-CG 4.03Å |
| 328 | E | 85 | Confident | 73 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 28% | 0.28 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.9 | 173.8 | -179.7 | -174.7 | 168.9 | 0 | 0 | 110.2 | R330 F339 I340 H342 | E328-R330 HydrophobicContact CG-CG 4.37Å; E328-R330 IonicContact OE1-CZ 3.43Å; E328-R330 VanDerWaalsContact OE1-CZ 3.23Å; E328-R330 IonicContact OE1-NE 3.18Å; E328-R330 PolarHBondContact OE1-NE 2.79Å; E328-R330 IonicContact OE1-NH2 3.08Å; E328-R330 PolarHBondContact OE1-NH2 3.23Å; E328-R330 IonicContact OE2-NE 2.64Å; E328-R330 IonicContact OE2-NH2 3.31Å; E328-F339 CarbonylContact O-C 3.54Å; E328-F339 WeakPolarHBondContact O-CA 3.15Å; E328-I340 HydrophobicContact CB-CB 4.31Å; E328-I340 PolarHBondContact N-O 3.46Å; E328-I340 PolarHBondContact O-N 2.86Å; E328-H342 WeakPolarHBondContact CB-NE2 3.45Å; E328-H342 IonicContact OE2-CE1 2.82Å; E328-H342 PolarHBondContact OE2-CE1 2.88Å; E328-H342 VanDerWaalsContact OE2-CE1 3.26Å; E328-H342 IonicContact OE2-NE2 3.61Å; E328-H342 PolarHBondContact OE2-NE2 2.97Å |
| 329 | Q | 83.9 | Confident | 74.7 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135 | 172.2 | 178.6 | -179.4 | -54.6 | 0 | 0 | 110.4 | L323 V337 F339 | L323-Q329 HydrophobicContact CD1-CB 3.78Å; Q329-V337 HydrophobicContact CG-CG1 3.32Å; Q329-F339 HydrophobicContact CB-CD1 4.16Å; Q329-F339 HydrophobicContact CB-CE1 4.14Å; Q329-F339 HydrophobicContact CG-CD1 4.38Å; Q329-F339 HydrophobicContact CG-CE1 4.02Å |
| 330 | R | 81.2 | Confident | 76 | Confident | 126 Ų | 126 | 58.7 Ų | 58.7 | 48% | 0.475 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 161.9 | 172.3 | -70.6 | -160.8 | -176.1 | -174.2 | 1 | 112.1 | E328 V337 F338 I340 | E328-R330 HydrophobicContact CG-CG 4.37Å; E328-R330 IonicContact OE1-CZ 3.43Å; E328-R330 VanDerWaalsContact OE1-CZ 3.23Å; E328-R330 IonicContact OE1-NE 3.18Å; E328-R330 PolarHBondContact OE1-NE 2.79Å; E328-R330 IonicContact OE1-NH2 3.08Å; E328-R330 PolarHBondContact OE1-NH2 3.23Å; E328-R330 IonicContact OE2-NE 2.64Å; E328-R330 IonicContact OE2-NH2 3.31Å; R330-V337 CarbonylContact O-C 3.52Å; R330-V337 WeakPolarHBondContact O-CA 3.26Å; R330-F338 HydrophobicContact CB-CD1 4.05Å; R330-F338 HydrophobicContact CB-CE1 3.46Å; R330-F338 VanDerWaalsContact CB-CE1 3.46Å; R330-F338 HydrophobicContact CB-CE2 4.14Å; R330-F338 HydrophobicContact CB-CZ 3.52Å; R330-F338 HydrophobicContact CG-CZ 4.34Å; R330-F338 PolarHBondContact N-O 3.32Å; R330-F338 WeakPolarHBondContact O-CD1 3.37Å; R330-F338 PolarHBondContact O-N 3.15Å; R330-I340 HydrophobicContact CG-CD1 3.9Å |
| 331 | V | 70.9 | Confident | 77 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.4 | 173.5 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | R336 V337 | V331-R336 CarbonylContact C-O 3.55Å; V331-R336 WeakPolarHBondContact CA-O 3.38Å; V331-V337 HydrophobicContact CG2-CG2 4.45Å |
| 332 | H | 74.3 | Confident | 77.5 | Confident | 87 Ų | 87 | 60.5 Ų | 60.5 | 40% | 0.403 | 36% | 0.355 | S | S | . | . | trans | -74.2 | 163.3 | 174.5 | -176.8 | -96.9 | 0 | 0 | 0 | 110.5 | D334 G335 R336 F338 W349 | H332-D334 WeakPolarHBondContact CB-OD1 3.28Å; H332-D334 IonicContact CE1-OD1 3.45Å; H332-D334 IonicContact CG-OD1 2.71Å; H332-D334 VanDerWaalsContact ND1-CG 3.27Å; H332-D334 IonicContact ND1-OD1 3.3Å; H332-D334 PolarHBondContact ND1-OD1 3.21Å; H332-D334 IonicContact ND1-OD2 2.68Å; H332-D334 PolarHBondContact O-N 2.86Å; H332-G335 WeakPolarHBondContact O-CA 3.38Å; H332-G335 PolarHBondContact O-N 2.81Å; H332-R336 WeakPolarHBondContact CB-O 3.2Å; H332-R336 PolarHBondContact N-O 3.44Å; H332-F338 HydrophobicContact CB-CD1 3.88Å; H332-F338 HydrophobicContact CB-CE1 4.05Å; H332-W349 HydrophobicContact CB-CH2 3.97Å; H332-W349 HydrophobicContact CB-CZ3 4.13Å; H332-W349 AromaticContact CG-CH2 3.89Å | ||
| 333 | A | 67.2 | Low | 77.6 | Confident | 105 Ų | 105 | 61.5 Ų | 61.5 | 87% | 0.868 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G335 | A333-G335 VanDerWaalsContact C-N 3.28Š|
| 334 | D | 69.4 | Low | 77.9 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 7.9 | 174.7 | 67.4 | -12.7 | 0 | 0 | 0 | 113.3 | H332 R336 | H332-D334 WeakPolarHBondContact CB-OD1 3.28Å; H332-D334 IonicContact CE1-OD1 3.45Å; H332-D334 IonicContact CG-OD1 2.71Å; H332-D334 VanDerWaalsContact ND1-CG 3.27Å; H332-D334 IonicContact ND1-OD1 3.3Å; H332-D334 PolarHBondContact ND1-OD1 3.21Å; H332-D334 IonicContact ND1-OD2 2.68Å; H332-D334 PolarHBondContact O-N 2.86Å; D334-R336 VanDerWaalsContact C-N 3.31Å; D334-R336 VanDerWaalsContact OD1-CB 3.3Å; D334-R336 WeakPolarHBondContact OD1-CB 3.45Å; D334-R336 WeakPolarHBondContact OD1-CG 3.24Å; D334-R336 PolarHBondContact OD1-N 3.21Å; D334-R336 VanDerWaalsContact OD1-N 3.1Å; D334-R336 WeakPolarHBondContact OD2-CD 3.44Å; D334-R336 WeakPolarHBondContact OD2-CG 3.36Å; D334-R336 IonicContact OD2-CZ 3.56Å; D334-R336 IonicContact OD2-NE 3.56Å; D334-R336 PolarHBondContact OD2-NE 2.95Å; D334-R336 VanDerWaalsContact OD2-NE 3.1Å |
| 335 | G | 60.7 | Low | 77.7 | Confident | 41 Ų | 41 | 76 Ų | 76 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 83.8 | -1.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | H332 A333 | H332-G335 WeakPolarHBondContact O-CA 3.38Å; H332-G335 PolarHBondContact O-N 2.81Å; A333-G335 VanDerWaalsContact C-N 3.28Å |
| 336 | R | 65 | Low | 77.8 | Confident | 92 Ų | 92 | 78 Ų | 78 | 35% | 0.347 | 38% | 0.382 | S | S | . | . | trans | -76.6 | 138.7 | -178.9 | -66.6 | -178 | -170.1 | 176.6 | 4 | 112.1 | V331 H332 D334 W349 | V331-R336 CarbonylContact C-O 3.55Å; V331-R336 WeakPolarHBondContact CA-O 3.38Å; H332-R336 WeakPolarHBondContact CB-O 3.2Å; H332-R336 PolarHBondContact N-O 3.44Å; D334-R336 VanDerWaalsContact C-N 3.31Å; D334-R336 VanDerWaalsContact OD1-CB 3.3Å; D334-R336 WeakPolarHBondContact OD1-CB 3.45Å; D334-R336 WeakPolarHBondContact OD1-CG 3.24Å; D334-R336 PolarHBondContact OD1-N 3.21Å; D334-R336 VanDerWaalsContact OD1-N 3.1Å; D334-R336 WeakPolarHBondContact OD2-CD 3.44Å; D334-R336 WeakPolarHBondContact OD2-CG 3.36Å; D334-R336 IonicContact OD2-CZ 3.56Å; D334-R336 IonicContact OD2-NE 3.56Å; D334-R336 PolarHBondContact OD2-NE 2.95Å; D334-R336 VanDerWaalsContact OD2-NE 3.1Å; R336-W349 HydrophobicContact CB-CE3 4.33Å; R336-W349 HydrophobicContact CB-CH2 4.48Å; R336-W349 HydrophobicContact CB-CZ3 3.65Å | ||
| 337 | V | 76.1 | Confident | 78 | Confident | 22 Ų | 22 | 80.9 Ų | 80.9 | 13% | 0.133 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 134.5 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | Q329 R330 V331 F339 | Q329-V337 HydrophobicContact CG-CG1 3.32Å; R330-V337 CarbonylContact O-C 3.52Å; R330-V337 WeakPolarHBondContact O-CA 3.26Å; V331-V337 HydrophobicContact CG2-CG2 4.45Å; V337-F339 HydrophobicContact CG1-CE1 4.47Å; V337-F339 HydrophobicContact CG1-CE2 4.2Å; V337-F339 HydrophobicContact CG1-CZ 3.98Å |
| 338 | F | 78.6 | Confident | 77.8 | Confident | 36 Ų | 36 | 80.2 Ų | 80.2 | 16% | 0.158 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 155.8 | 170.9 | 72.2 | -80.4 | 0 | 0 | 0 | 110.6 | R330 H332 I340 T347 W349 | R330-F338 HydrophobicContact CB-CD1 4.05Å; R330-F338 HydrophobicContact CB-CE1 3.46Å; R330-F338 VanDerWaalsContact CB-CE1 3.46Å; R330-F338 HydrophobicContact CB-CE2 4.14Å; R330-F338 HydrophobicContact CB-CZ 3.52Å; R330-F338 HydrophobicContact CG-CZ 4.34Å; R330-F338 PolarHBondContact N-O 3.32Å; R330-F338 WeakPolarHBondContact O-CD1 3.37Å; R330-F338 PolarHBondContact O-N 3.15Å; H332-F338 HydrophobicContact CB-CD1 3.88Å; H332-F338 HydrophobicContact CB-CE1 4.05Å; F338-I340 HydrophobicContact CD2-CG1 3.99Å; F338-I340 HydrophobicContact CE2-CD1 3.71Å; F338-I340 HydrophobicContact CE2-CG1 3.66Å; F338-I340 HydrophobicContact CZ-CD1 4.31Å; F338-T347 HydrophobicContact CD2-CG2 4.34Å; F338-T347 HydrophobicContact CE2-CG2 4.21Å; F338-W349 HydrophobicContact CB-CD2 4.25Å; F338-W349 HydrophobicContact CB-CE3 3.64Å; F338-W349 HydrophobicContact CB-CH2 4.42Å; F338-W349 HydrophobicContact CB-CZ3 3.74Å; F338-W349 HydrophobicContact CG-CZ3 4.49Å |
| 339 | F | 87.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.1 | -174.2 | -57.7 | -89.3 | 0 | 0 | 0 | 110.1 | L323 W327 E328 Q329 V337 T347 Q348 E350 D351 H630 | L323-F339 HydrophobicContact CD2-CD1 3.87Å; L323-F339 HydrophobicContact CD2-CE1 3.85Å; W327-F339 HydrophobicContact CE3-CB 3.91Å; W327-F339 HydrophobicContact CZ3-CB 3.93Å; E328-F339 CarbonylContact O-C 3.54Å; E328-F339 WeakPolarHBondContact O-CA 3.15Å; Q329-F339 HydrophobicContact CB-CD1 4.16Å; Q329-F339 HydrophobicContact CB-CE1 4.14Å; Q329-F339 HydrophobicContact CG-CD1 4.38Å; Q329-F339 HydrophobicContact CG-CE1 4.02Å; V337-F339 HydrophobicContact CG1-CE1 4.47Å; V337-F339 HydrophobicContact CG1-CE2 4.2Å; V337-F339 HydrophobicContact CG1-CZ 3.98Å; F339-T347 CarbonylContact O-C 3.54Å; F339-T347 VanDerWaalsContact O-CA 3.3Å; F339-T347 WeakPolarHBondContact O-CA 3.17Å; F339-Q348 HydrophobicContact CB-CG 4.35Å; F339-Q348 PolarHBondContact N-O 2.6Å; F339-Q348 PolarHBondContact O-N 3.07Å; F339-E350 VanDerWaalsContact CD2-C 3.48Å; F339-E350 WeakPolarHBondContact CD2-O 3.45Å; F339-D351 HydrophobicContact CD2-CB 4.37Å; F339-D351 HydrophobicContact CE1-CB 4.19Å; F339-D351 HydrophobicContact CE2-CB 3.67Å; F339-D351 HydrophobicContact CZ-CB 3.55Å; F339-D351 WeakPolarHBondContact CZ-OD2 3.36Å; F339-H630 AromaticContact CE2-NE2 3.92Å |
| 340 | I | 85.4 | Confident | 77.3 | Confident | 23 Ų | 23 | 85.1 Ų | 85.1 | 12% | 0.118 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 114.5 | -177.2 | -50.4 | -178.7 | 0 | 0 | 0 | 107.5 | W327 E328 R330 F338 H342 T347 | W327-I340 CarbonylContact C-O 3.57Å; W327-I340 VanDerWaalsContact CA-O 3.3Å; W327-I340 WeakPolarHBondContact CA-O 3.43Å; E328-I340 HydrophobicContact CB-CB 4.31Å; E328-I340 PolarHBondContact N-O 3.46Å; E328-I340 PolarHBondContact O-N 2.86Å; R330-I340 HydrophobicContact CG-CD1 3.9Å; F338-I340 HydrophobicContact CD2-CG1 3.99Å; F338-I340 HydrophobicContact CE2-CD1 3.71Å; F338-I340 HydrophobicContact CE2-CG1 3.66Å; F338-I340 HydrophobicContact CZ-CD1 4.31Å; I340-H342 PolarHBondContact O-N 2.87Å; I340-T347 HydrophobicContact CB-CG2 4.47Å; I340-T347 HydrophobicContact CG1-CG2 4.01Å; I340-T347 HydrophobicContact CG2-CG2 4.27Å |
| 341 | D | 85 | Confident | 77.3 | Confident | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 101.5 | 168.9 | -174.2 | -17.7 | 0 | 0 | 0 | 108.1 | W327 N343 R344 R345 R346 | W327-D341 HydrophobicContact CD2-CB 4.11Å; W327-D341 HydrophobicContact CE3-CB 4.02Å; W327-D341 HydrophobicContact CH2-CB 3.66Å; W327-D341 HydrophobicContact CZ2-CB 3.73Å; W327-D341 WeakPolarHBondContact CZ2-OD2 3.35Å; W327-D341 HydrophobicContact CZ3-CB 3.81Å; D341-N343 VanDerWaalsContact C-N 3.27Å; D341-N343 WeakPolarHBondContact OD1-CA 3.42Å; D341-N343 VanDerWaalsContact OD1-CB 3.23Å; D341-N343 WeakPolarHBondContact OD1-CB 3.37Å; D341-N343 PolarHBondContact OD1-N 3.05Å; D341-R344 HydrophobicContact CB-CB 4.43Å; D341-R344 PolarHBondContact OD1-N 2.91Å; D341-R344 WeakPolarHBondContact OD2-CB 3.42Å; D341-R344 WeakPolarHBondContact OD2-CD 3.49Å; D341-R344 VanDerWaalsContact OD2-CG 3.25Å; D341-R344 WeakPolarHBondContact OD2-CG 3.36Å; D341-R344 IonicContact OD2-NH1 3.87Å; D341-R344 PolarHBondContact OD2-NH1 3.47Å; D341-R345 WeakPolarHBondContact O-CA 3.23Å; D341-R345 PolarHBondContact O-N 3.28Å; D341-R346 PolarHBondContact N-O 3.49Å; D341-R346 PolarHBondContact O-N 3.46Å; D341-R346 VanDerWaalsContact O-N 3.11Å |
| 342 | H | 78.6 | Confident | 77.8 | Confident | 96 Ų | 96 | 74.9 Ų | 74.9 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -25.6 | 175.6 | -69.1 | -74.9 | 0 | 0 | 0 | 112.3 | G326 E328 I340 | G326-H342 VanDerWaalsContact O-CB 3.28Å; G326-H342 WeakPolarHBondContact O-CB 3.39Å; G326-H342 PolarHBondContact O-CD2 3.16Å; G326-H342 PolarHBondContact O-N 3.44Å; E328-H342 WeakPolarHBondContact CB-NE2 3.45Å; E328-H342 IonicContact OE2-CE1 2.82Å; E328-H342 PolarHBondContact OE2-CE1 2.88Å; E328-H342 VanDerWaalsContact OE2-CE1 3.26Å; E328-H342 IonicContact OE2-NE2 3.61Å; E328-H342 PolarHBondContact OE2-NE2 2.97Å; I340-H342 PolarHBondContact O-N 2.87Å |
| 343 | N | 78.7 | Confident | 78.1 | Confident | 113 Ų | 113 | 70.9 Ų | 70.9 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -41.2 | 178.7 | -52.4 | -48.6 | 0 | 0 | 0 | 110.9 | A325 D341 | A325-N343 PolarHBondContact O-ND2 3.27Å; D341-N343 VanDerWaalsContact C-N 3.27Å; D341-N343 WeakPolarHBondContact OD1-CA 3.42Å; D341-N343 VanDerWaalsContact OD1-CB 3.23Å; D341-N343 WeakPolarHBondContact OD1-CB 3.37Å; D341-N343 PolarHBondContact OD1-N 3.05Å |
| 344 | R | 81.5 | Confident | 78.2 | Confident | 162 Ų | 162 | 66.9 Ų | 66.9 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 0.3 | 179.2 | -59.6 | -172.4 | -179.2 | 113.9 | -9 | 114.2 | D341 R346 | D341-R344 HydrophobicContact CB-CB 4.43Å; D341-R344 PolarHBondContact OD1-N 2.91Å; D341-R344 WeakPolarHBondContact OD2-CB 3.42Å; D341-R344 WeakPolarHBondContact OD2-CD 3.49Å; D341-R344 VanDerWaalsContact OD2-CG 3.25Å; D341-R344 WeakPolarHBondContact OD2-CG 3.36Å; D341-R344 IonicContact OD2-NH1 3.87Å; D341-R344 PolarHBondContact OD2-NH1 3.47Å; R344-R346 VanDerWaalsContact C-N 3.26Å; R344-R346 PolarHBondContact O-N 2.76Å |
| 345 | R | 77.2 | Confident | 78 | Confident | 235 Ų | 235 | 68.4 Ų | 68.4 | 89% | 0.887 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 45.2 | -176.8 | -59.9 | -178.5 | 178 | -179.5 | -0.9 | 112.7 | D341 | D341-R345 WeakPolarHBondContact O-CA 3.23Å; D341-R345 PolarHBondContact O-N 3.28Å |
| 346 | R | 81.8 | Confident | 78.3 | Confident | 132 Ų | 132 | 69.5 Ų | 69.5 | 50% | 0.498 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.9 | -179.4 | -172.2 | 175.9 | 69.5 | -172.9 | 2.7 | 110 | D341 R344 | D341-R346 PolarHBondContact N-O 3.49Å; D341-R346 PolarHBondContact O-N 3.46Å; D341-R346 VanDerWaalsContact O-N 3.11Å; R344-R346 VanDerWaalsContact C-N 3.26Å; R344-R346 PolarHBondContact O-N 2.76Å |
| 347 | T | 85.1 | Confident | 77.9 | Confident | 89 Ų | 89 | 71.7 Ų | 71.7 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 147 | 167.8 | 61.3 | 0 | 0 | 0 | 0 | 109.9 | F338 F339 I340 | F338-T347 HydrophobicContact CD2-CG2 4.34Å; F338-T347 HydrophobicContact CE2-CG2 4.21Å; F339-T347 CarbonylContact O-C 3.54Å; F339-T347 VanDerWaalsContact O-CA 3.3Å; F339-T347 WeakPolarHBondContact O-CA 3.17Å; I340-T347 HydrophobicContact CB-CG2 4.47Å; I340-T347 HydrophobicContact CG1-CG2 4.01Å; I340-T347 HydrophobicContact CG2-CG2 4.27Å |
| 348 | Q | 81.5 | Confident | 77.1 | Confident | 19 Ų | 19 | 78 Ų | 78 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 160.8 | 174.1 | 61.5 | -175.6 | 50 | 0 | 0 | 110 | W327 F339 E350 | W327-Q348 HydrophobicContact CH2-CG 4.08Å; W327-Q348 VanDerWaalsContact CH2-NE2 3.34Å; W327-Q348 HydrophobicContact CZ3-CG 3.79Å; F339-Q348 HydrophobicContact CB-CG 4.35Å; F339-Q348 PolarHBondContact N-O 2.6Å; F339-Q348 PolarHBondContact O-N 3.07Å; Q348-E350 WeakPolarHBondContact CG-O 3.07Å; Q348-E350 PolarHBondContact NE2-O 3.22Å |
| 349 | W | 80 | Confident | 76.1 | Confident | 122 Ų | 122 | 78.5 Ų | 78.5 | 46% | 0.462 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -89.8 | -17.7 | 177.8 | -63.2 | 100.4 | 0 | 0 | 0 | 111.4 | H332 R336 F338 | H332-W349 HydrophobicContact CB-CH2 3.97Å; H332-W349 HydrophobicContact CB-CZ3 4.13Å; H332-W349 AromaticContact CG-CH2 3.89Å; R336-W349 HydrophobicContact CB-CE3 4.33Å; R336-W349 HydrophobicContact CB-CH2 4.48Å; R336-W349 HydrophobicContact CB-CZ3 3.65Å; F338-W349 HydrophobicContact CB-CD2 4.25Å; F338-W349 HydrophobicContact CB-CE3 3.64Å; F338-W349 HydrophobicContact CB-CH2 4.42Å; F338-W349 HydrophobicContact CB-CZ3 3.74Å; F338-W349 HydrophobicContact CG-CZ3 4.49Å |
| 350 | E | 77.5 | Confident | 74.6 | Confident | 108 Ų | 108 | 78.7 Ų | 78.7 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -83.9 | 131.8 | -178.4 | -64.6 | 71.5 | -157 | 0 | 0 | 112 | F339 Q348 | F339-E350 VanDerWaalsContact CD2-C 3.48Å; F339-E350 WeakPolarHBondContact CD2-O 3.45Å; Q348-E350 WeakPolarHBondContact CG-O 3.07Å; Q348-E350 PolarHBondContact NE2-O 3.22Å |
| 351 | D | 81 | Confident | 73.1 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | trans | -63.3 | 123 | 173.5 | -167.8 | -39.5 | 0 | 0 | 0 | 110.4 | F339 R353 F354 | F339-D351 HydrophobicContact CD2-CB 4.37Å; F339-D351 HydrophobicContact CE1-CB 4.19Å; F339-D351 HydrophobicContact CE2-CB 3.67Å; F339-D351 HydrophobicContact CZ-CB 3.55Å; F339-D351 WeakPolarHBondContact CZ-OD2 3.36Å; D351-R353 PolarHBondContact O-N 3.46Å; D351-R353 VanDerWaalsContact O-N 3.1Å; D351-R353 WeakPolarHBondContact OD1-CB 3.28Å; D351-R353 VanDerWaalsContact OD1-CG 3.3Å; D351-R353 WeakPolarHBondContact OD1-CG 3.24Å; D351-R353 IonicContact OD1-CZ 2.92Å; D351-R353 PolarHBondContact OD1-N 3.02Å; D351-R353 IonicContact OD1-NE 3.12Å; D351-R353 PolarHBondContact OD1-NE 2.81Å; D351-R353 IonicContact OD1-NH2 2.84Å; D351-R353 IonicContact OD2-CZ 2.64Å; D351-R353 VanDerWaalsContact OD2-CZ 3.25Å; D351-R353 IonicContact OD2-NE 3.98Å; D351-R353 PolarHBondContact OD2-NE 2.64Å; D351-R353 IonicContact OD2-NH2 3.75Å; D351-R353 PolarHBondContact OD2-NH2 3.19Å; D351-F354 HydrophobicContact CB-CD2 3.83Å; D351-F354 HydrophobicContact CB-CE2 3.96Å; D351-F354 WeakPolarHBondContact O-CD2 3.43Å; D351-F354 PolarHBondContact O-N 3.01Å; D351-F354 VanDerWaalsContact O-N 3.15Å | ||
| 352 | P | 81.2 | Confident | 71.5 | Confident | 4 Ų | 4 | 81.6 Ų | 81.6 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -62.1 | -18.8 | -179.6 | 29.2 | -39.6 | 0 | 0 | 0 | 113.3 | L323 P324 W327 F354 E355 | L323-P352 HydrophobicContact CD2-CG 3.94Å; P324-P352 HydrophobicContact CG-CB 4.23Å; P324-P352 HydrophobicContact CG-CG 4.29Å; W327-P352 HydrophobicContact CB-CG 4.31Å; W327-P352 HydrophobicContact CD2-CB 3.59Å; W327-P352 HydrophobicContact CD2-CG 3.51Å; W327-P352 VanDerWaalsContact CE2-CB 3.49Å; W327-P352 HydrophobicContact CE3-CB 3.79Å; W327-P352 HydrophobicContact CE3-CG 3.55Å; W327-P352 HydrophobicContact CG-CB 4.21Å; W327-P352 HydrophobicContact CG-CG 3.87Å; W327-P352 HydrophobicContact CH2-CB 3.79Å; W327-P352 HydrophobicContact CH2-CG 4.44Å; W327-P352 HydrophobicContact CZ2-CB 3.6Å; W327-P352 HydrophobicContact CZ2-CG 4.43Å; W327-P352 HydrophobicContact CZ3-CB 3.88Å; W327-P352 HydrophobicContact CZ3-CG 4.03Å; P352-F354 PolarHBondContact O-N 3.09Å; P352-E355 WeakPolarHBondContact O-CB 3.49Å; P352-E355 PolarHBondContact O-N 2.9Å |
| 353 | R | 80.9 | Confident | 70.1 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 1% | 0.011 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -66 | -17.5 | 177.6 | -63.4 | 171.9 | -74.3 | -163.3 | -1.4 | 112.6 | D318 G321 D351 E355 N356 I359 | D318-R353 IonicContact OD2-CZ 2.8Å; D318-R353 IonicContact OD2-NH1 2.64Å; D318-R353 PolarHBondContact OD2-NH1 2.91Å; D318-R353 IonicContact OD2-NH2 3.23Å; D318-R353 PolarHBondContact OD2-NH2 3.42Å; G321-R353 PolarHBondContact O-NH1 3.18Å; D351-R353 PolarHBondContact O-N 3.46Å; D351-R353 VanDerWaalsContact O-N 3.1Å; D351-R353 WeakPolarHBondContact OD1-CB 3.28Å; D351-R353 VanDerWaalsContact OD1-CG 3.3Å; D351-R353 WeakPolarHBondContact OD1-CG 3.24Å; D351-R353 IonicContact OD1-CZ 2.92Å; D351-R353 PolarHBondContact OD1-N 3.02Å; D351-R353 IonicContact OD1-NE 3.12Å; D351-R353 PolarHBondContact OD1-NE 2.81Å; D351-R353 IonicContact OD1-NH2 2.84Å; D351-R353 IonicContact OD2-CZ 2.64Å; D351-R353 VanDerWaalsContact OD2-CZ 3.25Å; D351-R353 IonicContact OD2-NE 3.98Å; D351-R353 PolarHBondContact OD2-NE 2.64Å; D351-R353 IonicContact OD2-NH2 3.75Å; D351-R353 PolarHBondContact OD2-NH2 3.19Å; R353-E355 PolarHBondContact O-N 2.87Å; R353-N356 PolarHBondContact O-N 2.83Å; R353-I359 HydrophobicContact CB-CD1 4.41Å |
| 354 | F | 69.1 | Low | 68.9 | Low | 21 Ų | 21 | 78.7 Ų | 78.7 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -66.8 | -21.6 | 168.9 | -78.2 | -78.2 | 0 | 0 | 0 | 113.7 | D351 P352 V609 K613 W633 L637 | D351-F354 HydrophobicContact CB-CD2 3.83Å; D351-F354 HydrophobicContact CB-CE2 3.96Å; D351-F354 WeakPolarHBondContact O-CD2 3.43Å; D351-F354 PolarHBondContact O-N 3.01Å; D351-F354 VanDerWaalsContact O-N 3.15Å; P352-F354 PolarHBondContact O-N 3.09Å; F354-V609 HydrophobicContact CE1-CG1 3.99Å; F354-K613 HydrophobicContact CD1-CD 4.47Å; F354-K613 HydrophobicContact CE1-CD 3.89Å; F354-K613 HydrophobicContact CZ-CD 4.01Å; F354-W633 HydrophobicContact CZ-CB 3.86Å; F354-L637 HydrophobicContact CD1-CD1 3.72Å; F354-L637 HydrophobicContact CD1-CD2 3.83Å; F354-L637 HydrophobicContact CD1-CG 4Å; F354-L637 HydrophobicContact CD2-CD1 3.68Å; F354-L637 HydrophobicContact CE1-CD1 3.36Å; F354-L637 HydrophobicContact CE1-CD2 3.69Å; F354-L637 HydrophobicContact CE1-CG 3.44Å; F354-L637 VanDerWaalsContact CE1-CG 3.44Å; F354-L637 HydrophobicContact CE2-CD1 3.31Å; F354-L637 HydrophobicContact CE2-CG 4.26Å; F354-L637 HydrophobicContact CG-CD1 3.84Å; F354-L637 HydrophobicContact CZ-CD1 3.1Å; F354-L637 HydrophobicContact CZ-CD2 4.3Å; F354-L637 HydrophobicContact CZ-CG 3.55Å |
| 355 | E | 66.7 | Low | 67.3 | Low | 114 Ų | 114 | 76.9 Ų | 76.9 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -85.3 | -13.7 | 177.4 | -60.7 | -174.9 | 172.5 | 0 | 0 | 112.3 | P352 R353 E357 | P352-E355 WeakPolarHBondContact O-CB 3.49Å; P352-E355 PolarHBondContact O-N 2.9Å; R353-E355 PolarHBondContact O-N 2.87Å; E355-E357 PolarHBondContact O-N 2.83Å |
| 356 | N | 66.8 | Low | 66.2 | Low | 64 Ų | 64 | 69.1 Ų | 69.1 | 34% | 0.342 | 36% | 0.364 | S | S | . | . | trans | -78.5 | 105.4 | 177.6 | -169.7 | -5.5 | 0 | 0 | 0 | 110.2 | R353 N358 I359 A360 | R353-N356 PolarHBondContact O-N 2.83Å; N356-N358 PolarHBondContact O-N 2.81Å; N356-N358 VanDerWaalsContact O-N 3.14Å; N356-N358 WeakPolarHBondContact OD1-CB 3.41Å; N356-N358 PolarHBondContact OD1-N 2.84Å; N356-I359 HydrophobicContact CB-CB 4.48Å; N356-I359 HydrophobicContact CB-CD1 4.18Å; N356-I359 HydrophobicContact CB-CG1 4.3Å; N356-I359 PolarHBondContact O-N 3Å; N356-A360 PolarHBondContact O-N 2.72Å | ||
| 357 | E | 56.1 | Low | 65 | Low | 138 Ų | 138 | 65.2 Ų | 65.2 | 65% | 0.645 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -55.6 | -29.4 | 178.5 | -66.6 | -176.7 | 170.3 | 0 | 0 | 112.8 | E355 I359 G361 | E355-E357 PolarHBondContact O-N 2.83Å; E357-I359 VanDerWaalsContact C-N 3.26Å; E357-I359 PolarHBondContact O-N 3.12Å; E357-G361 CarbonylContact O-C 3.59Å; E357-G361 VanDerWaalsContact O-C 3.3Å; E357-G361 VanDerWaalsContact O-CA 3.25Å; E357-G361 WeakPolarHBondContact O-CA 3.15Å; E357-G361 PolarHBondContact O-N 3.36Å |
| 358 | N | 58.4 | Low | 63.6 | Low | 154 Ų | 154 | 72.6 Ų | 72.6 | 82% | 0.824 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.5 | -24.4 | 177.6 | -66.4 | -24.6 | 0 | 0 | 0 | 113.1 | N356 | N356-N358 PolarHBondContact O-N 2.81Å; N356-N358 VanDerWaalsContact O-N 3.14Å; N356-N358 WeakPolarHBondContact OD1-CB 3.41Å; N356-N358 PolarHBondContact OD1-N 2.84Å |
| 359 | I | 58.4 | Low | 63.2 | Low | 46 Ų | 46 | 75.3 Ų | 75.3 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -102.4 | -42.7 | -178.4 | -57.3 | 175.2 | 0 | 0 | 0 | 110.7 | R353 N356 E357 L637 R644 | R353-I359 HydrophobicContact CB-CD1 4.41Å; N356-I359 HydrophobicContact CB-CB 4.48Å; N356-I359 HydrophobicContact CB-CD1 4.18Å; N356-I359 HydrophobicContact CB-CG1 4.3Å; N356-I359 PolarHBondContact O-N 3Å; E357-I359 VanDerWaalsContact C-N 3.26Å; E357-I359 PolarHBondContact O-N 3.12Å; I359-L637 HydrophobicContact CG2-CD2 4.38Å; I359-R644 PolarHBondContact O-NH1 2.81Å; I359-R644 PolarHBondContact O-NH2 2.97Å |
| 360 | A | 56.1 | Low | 62.8 | Low | 4 Ų | 4 | 70 Ų | 70 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -78.2 | -20 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N356 V609 | N356-A360 PolarHBondContact O-N 2.72Å; A360-V609 PolarHBondContact O-N 2.88Å |
| 361 | G | 53.9 | Low | 62.5 | Low | 19 Ų | 19 | 69.2 Ų | 69.2 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | trans | 91.2 | 144.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112 | E357 | E357-G361 CarbonylContact O-C 3.59Å; E357-G361 VanDerWaalsContact O-C 3.3Å; E357-G361 VanDerWaalsContact O-CA 3.25Å; E357-G361 WeakPolarHBondContact O-CA 3.15Å; E357-G361 PolarHBondContact O-N 3.36Å | ||
| 362 | P | 51 | Low | 62.3 | Low | 67 Ų | 67 | 77.3 Ų | 77.3 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 142.1 | 175.1 | 28.7 | -33.1 | 0 | 0 | 0 | 111.1 | V364 | P362-V364 PolarHBondContact O-N 2.88Š|
| 363 | A | 49.1 | Very low | 62.3 | Low | 78 Ų | 78 | 79.8 Ų | 79.8 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 119.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P365 | A363-P365 VanDerWaalsContact O-CD 3.31Å; A363-P365 WeakPolarHBondContact O-CD 3.16Å |
| 364 | V | 53.2 | Low | 62.2 | Low | 70 Ų | 70 | 80.4 Ų | 80.4 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 119.6 | -179.2 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | P362 Y366 | P362-V364 PolarHBondContact O-N 2.88Å; V364-Y366 HydrophobicContact CB-CE1 4.19Å; V364-Y366 HydrophobicContact CB-CE2 3.86Å; V364-Y366 WeakPolarHBondContact CB-OH 3.19Å; V364-Y366 HydrophobicContact CG1-CD1 4.34Å; V364-Y366 HydrophobicContact CG1-CE1 3.5Å; V364-Y366 HydrophobicContact CG1-CE2 4.12Å; V364-Y366 VanDerWaalsContact CG1-CZ 3.4Å; V364-Y366 VanDerWaalsContact CG1-OH 3.29Å; V364-Y366 WeakPolarHBondContact CG1-OH 3.39Å; V364-Y366 WeakPolarHBondContact O-CD2 3.21Å; V364-Y366 PolarHBondContact O-N 3.38Å |
| 365 | P | 47.4 | Very low | 62.9 | Low | 123 Ų | 123 | 84.2 Ų | 84.2 | 80% | 0.799 | 43% | 0.428 | S | S | * | . | trans | -78.8 | 115.9 | -177.8 | 28.6 | -30.1 | 0 | 0 | 0 | 110.9 | A363 | A363-P365 VanDerWaalsContact O-CD 3.31Å; A363-P365 WeakPolarHBondContact O-CD 3.16Å | ||
| 366 | Y | 55.9 | Low | 63.8 | Low | 72 Ų | 72 | 84 Ų | 84 | 28% | 0.282 | 42% | 0.422 | S | S | . | . | trans | -103.8 | 160.2 | -179.5 | -65.6 | -57.3 | 0 | 0 | 0 | 114.6 | V364 R368 L599 L604 M659 | V364-Y366 HydrophobicContact CB-CE1 4.19Å; V364-Y366 HydrophobicContact CB-CE2 3.86Å; V364-Y366 WeakPolarHBondContact CB-OH 3.19Å; V364-Y366 HydrophobicContact CG1-CD1 4.34Å; V364-Y366 HydrophobicContact CG1-CE1 3.5Å; V364-Y366 HydrophobicContact CG1-CE2 4.12Å; V364-Y366 VanDerWaalsContact CG1-CZ 3.4Å; V364-Y366 VanDerWaalsContact CG1-OH 3.29Å; V364-Y366 WeakPolarHBondContact CG1-OH 3.39Å; V364-Y366 WeakPolarHBondContact O-CD2 3.21Å; V364-Y366 PolarHBondContact O-N 3.38Å; Y366-R368 PolarHBondContact O-N 2.96Å; Y366-L599 HydrophobicContact CD1-CD1 3.55Å; Y366-L599 HydrophobicContact CE1-CD1 3.1Å; Y366-L599 HydrophobicContact CE1-CD2 3.8Å; Y366-L599 HydrophobicContact CE1-CG 4.07Å; Y366-L599 WeakPolarHBondContact OH-CD2 3.41Å; Y366-L604 HydrophobicContact CE2-CD2 3.85Å; Y366-L604 WeakPolarHBondContact OH-CD2 3.26Å; Y366-M659 HydrophobicContact CD1-CE 3.69Å; Y366-M659 HydrophobicContact CD1-CG 4.4Å; Y366-M659 HydrophobicContact CD1-SD 4.29Å; Y366-M659 HydrophobicContact CD2-CE 4.15Å; Y366-M659 HydrophobicContact CD2-CG 3.75Å; Y366-M659 HydrophobicContact CD2-SD 3.64Å; Y366-M659 HydrophobicContact CE1-CE 4.18Å; Y366-M659 HydrophobicContact CE1-CG 4.2Å; Y366-M659 HydrophobicContact CE2-CG 3.44Å; Y366-M659 VanDerWaalsContact CE2-CG 3.44Å; Y366-M659 HydrophobicContact CE2-SD 4.01Å; Y366-M659 HydrophobicContact CG-CE 3.69Å; Y366-M659 HydrophobicContact CG-CG 4.21Å; Y366-M659 HydrophobicContact CG-SD 3.78Å | ||
| 367 | S | 55.9 | Low | 64.7 | Low | 50 Ų | 50 | 82.7 Ų | 82.7 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | trans | -48.4 | 119.8 | 166.2 | 164.9 | 0 | 0 | 0 | 0 | 110.8 | D369 Y370 E596 | S367-D369 PolarHBondContact O-N 3.2Å; S367-Y370 PolarHBondContact O-N 3.26Å; S367-E596 VanDerWaalsContact CB-OE1 3.31Å; S367-E596 WeakPolarHBondContact CB-OE1 3.45Å; S367-E596 PolarHBondContact OG-OE1 3.07Å | ||
| 368 | R | 56.4 | Low | 66 | Low | 244 Ų | 244 | 81.3 Ų | 81.3 | 92% | 0.921 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -21.7 | -178.1 | -73 | 179 | 68.5 | -173.7 | 1.9 | 113.5 | Y366 | Y366-R368 PolarHBondContact O-N 2.96Š|
| 369 | D | 71.6 | Confident | 67.3 | Low | 76 Ų | 76 | 78.1 Ų | 78.1 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -4.8 | -176.9 | -67.8 | -51.3 | 0 | 0 | 0 | 114.3 | S367 K371 R372 K373 | S367-D369 PolarHBondContact O-N 3.2Å; D369-K371 VanDerWaalsContact C-N 3.31Å; D369-K371 PolarHBondContact O-N 2.97Å; D369-R372 WeakPolarHBondContact O-CA 3.38Å; D369-R372 WeakPolarHBondContact O-CB 3.39Å; D369-R372 PolarHBondContact O-N 2.89Å; D369-R372 IonicContact OD1-NH1 3.81Å; D369-R372 PolarHBondContact OD1-NH1 3.07Å; D369-K373 PolarHBondContact O-N 2.96Å |
| 370 | Y | 71.5 | Confident | 68.8 | Low | 11 Ų | 11 | 84.1 Ų | 84.1 | 4% | 0.043 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -55.2 | -44.6 | -176 | 173.8 | -98.3 | 0 | 0 | 0 | 112.9 | S367 R372 K373 V374 F592 E596 L600 M659 | S367-Y370 PolarHBondContact O-N 3.26Å; Y370-R372 VanDerWaalsContact C-N 3.26Å; Y370-R372 PolarHBondContact O-N 2.94Å; Y370-K373 CarbonylContact O-C 3.55Å; Y370-K373 WeakPolarHBondContact O-CA 3.23Å; Y370-K373 WeakPolarHBondContact O-CB 3.47Å; Y370-K373 PolarHBondContact O-N 3.33Å; Y370-V374 HydrophobicContact CD1-CG2 3.82Å; Y370-V374 HydrophobicContact CD2-CG2 4.21Å; Y370-V374 HydrophobicContact CE1-CG2 3.29Å; Y370-V374 HydrophobicContact CE2-CG2 3.72Å; Y370-V374 HydrophobicContact CG-CG2 4.29Å; Y370-V374 PolarHBondContact O-N 3.48Å; Y370-F592 HydrophobicContact CD2-CD1 4.45Å; Y370-F592 HydrophobicContact CD2-CE1 4.32Å; Y370-F592 HydrophobicContact CE2-CD1 4.28Å; Y370-F592 HydrophobicContact CE2-CE1 4.07Å; Y370-E596 HydrophobicContact CD2-CB 3.78Å; Y370-E596 HydrophobicContact CD2-CG 3.69Å; Y370-E596 HydrophobicContact CE2-CB 3.87Å; Y370-E596 HydrophobicContact CE2-CG 4.29Å; Y370-E596 WeakPolarHBondContact CE2-O 3.17Å; Y370-L600 WeakPolarHBondContact OH-CA 3.48Å; Y370-L600 WeakPolarHBondContact OH-CB 3.46Å; Y370-L600 PolarHBondContact OH-N 3.4Å; Y370-M659 HydrophobicContact CD1-CE 3.08Å; Y370-M659 HydrophobicContact CD1-SD 3.22Å; Y370-M659 WeakPolarHBondContact CD1-SD 3.34Å; Y370-M659 HydrophobicContact CD2-CE 3.63Å; Y370-M659 HydrophobicContact CE1-CB 4.29Å; Y370-M659 HydrophobicContact CE1-CE 3.22Å; Y370-M659 HydrophobicContact CE1-CG 4.3Å; Y370-M659 HydrophobicContact CE1-SD 3.31Å; Y370-M659 WeakPolarHBondContact CE1-SD 3.37Å; Y370-M659 HydrophobicContact CE2-CE 3.77Å; Y370-M659 HydrophobicContact CG-CE 3.26Å; Y370-M659 HydrophobicContact CG-SD 4Å |
| 371 | K | 72.6 | Confident | 70.3 | Confident | 91 Ų | 91 | 86.2 Ų | 86.2 | 40% | 0.396 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -55.7 | -44.4 | 178.1 | -173.1 | -179.8 | -176.6 | -175.2 | 0 | 111.5 | D369 K373 V374 E375 E664 | D369-K371 VanDerWaalsContact C-N 3.31Å; D369-K371 PolarHBondContact O-N 2.97Å; K371-K373 VanDerWaalsContact C-N 3.32Å; K371-K373 PolarHBondContact O-N 3.03Å; K371-V374 PolarHBondContact O-N 2.65Å; K371-E375 WeakPolarHBondContact CE-OE1 3.31Å; K371-E375 WeakPolarHBondContact O-CB 3.47Å; K371-E375 WeakPolarHBondContact O-CG 3.49Å; K371-E375 PolarHBondContact O-N 3.34Å; K371-E664 IonicContact NZ-OE1 2.71Å |
| 372 | R | 76.6 | Confident | 71.9 | Confident | 174 Ų | 174 | 88.9 Ų | 88.9 | 66% | 0.657 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.8 | -37.8 | 175.5 | -67.1 | 175.7 | 174.2 | 169.4 | -7.7 | 111.4 | D369 Y370 Y376 | D369-R372 WeakPolarHBondContact O-CA 3.38Å; D369-R372 WeakPolarHBondContact O-CB 3.39Å; D369-R372 PolarHBondContact O-N 2.89Å; D369-R372 IonicContact OD1-NH1 3.81Å; D369-R372 PolarHBondContact OD1-NH1 3.07Å; Y370-R372 VanDerWaalsContact C-N 3.26Å; Y370-R372 PolarHBondContact O-N 2.94Å; R372-Y376 WeakPolarHBondContact O-CB 3.43Å; R372-Y376 PolarHBondContact O-N 2.94Å |
| 373 | K | 80.5 | Confident | 73.5 | Confident | 57 Ų | 57 | 94.2 Ų | 94.2 | 25% | 0.248 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 175 | -64.6 | 177.8 | 179.7 | 175 | 0 | 112.3 | D369 Y370 K371 Y376 L377 F592 E596 | D369-K373 PolarHBondContact O-N 2.96Å; Y370-K373 CarbonylContact O-C 3.55Å; Y370-K373 WeakPolarHBondContact O-CA 3.23Å; Y370-K373 WeakPolarHBondContact O-CB 3.47Å; Y370-K373 PolarHBondContact O-N 3.33Å; K371-K373 VanDerWaalsContact C-N 3.32Å; K371-K373 PolarHBondContact O-N 3.03Å; K373-Y376 PolarHBondContact O-N 2.93Å; K373-L377 WeakPolarHBondContact O-CB 3.41Å; K373-L377 PolarHBondContact O-N 3.02Å; K373-F592 HydrophobicContact CB-CD1 4.39Å; K373-F592 HydrophobicContact CB-CE1 3.7Å; K373-F592 HydrophobicContact CB-CZ 4.25Å; K373-F592 HydrophobicContact CD-CD1 4.34Å; K373-F592 HydrophobicContact CD-CE1 4.44Å; K373-E596 IonicContact NZ-OE1 2.68Å; K373-E596 PolarHBondContact NZ-OE1 3.34Å; K373-E596 IonicContact NZ-OE2 2.65Å; K373-E596 PolarHBondContact NZ-OE2 3.3Å |
| 374 | V | 79.8 | Confident | 75 | Confident | 15 Ų | 15 | 92.5 Ų | 92.5 | 9% | 0.091 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 176.2 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | Y370 K371 Y376 L377 R378 F592 L600 | Y370-V374 HydrophobicContact CD1-CG2 3.82Å; Y370-V374 HydrophobicContact CD2-CG2 4.21Å; Y370-V374 HydrophobicContact CE1-CG2 3.29Å; Y370-V374 HydrophobicContact CE2-CG2 3.72Å; Y370-V374 HydrophobicContact CG-CG2 4.29Å; Y370-V374 PolarHBondContact O-N 3.48Å; K371-V374 PolarHBondContact O-N 2.65Å; V374-Y376 VanDerWaalsContact C-N 3.3Å; V374-Y376 PolarHBondContact O-N 2.65Å; V374-L377 PolarHBondContact O-N 3.3Å; V374-R378 WeakPolarHBondContact O-CB 3.18Å; V374-R378 WeakPolarHBondContact O-CG 3.18Å; V374-R378 PolarHBondContact O-N 3.09Å; V374-F592 HydrophobicContact CG2-CE1 4.49Å; V374-L600 HydrophobicContact CG2-CD1 4.32Å |
| 375 | E | 83 | Confident | 75.9 | Confident | 102 Ų | 102 | 95.1 Ų | 95.1 | 48% | 0.477 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.6 | -73.7 | 171.5 | 179.1 | 0 | 0 | 111 | K371 R378 S379 | K371-E375 WeakPolarHBondContact CE-OE1 3.31Å; K371-E375 WeakPolarHBondContact O-CB 3.47Å; K371-E375 WeakPolarHBondContact O-CG 3.49Å; K371-E375 PolarHBondContact O-N 3.34Å; E375-R378 PolarHBondContact O-N 2.96Å; E375-S379 WeakPolarHBondContact O-CB 3.31Å; E375-S379 PolarHBondContact O-N 3.15Å |
| 376 | Y | 84.6 | Confident | 77.2 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 42% | 0.424 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 174.6 | 179.9 | -101.8 | 0 | 0 | 0 | 111.8 | R372 K373 V374 R378 S379 R380 L591 | R372-Y376 WeakPolarHBondContact O-CB 3.43Å; R372-Y376 PolarHBondContact O-N 2.94Å; K373-Y376 PolarHBondContact O-N 2.93Å; V374-Y376 VanDerWaalsContact C-N 3.3Å; V374-Y376 PolarHBondContact O-N 2.65Å; Y376-R378 PolarHBondContact O-N 2.79Å; Y376-S379 WeakPolarHBondContact O-CB 3.22Å; Y376-S379 PolarHBondContact O-N 3.41Å; Y376-S379 VanDerWaalsContact O-N 3.15Å; Y376-S379 PolarHBondContact O-OG 2.94Å; Y376-R380 HydrophobicContact CD1-CG 4.48Å; Y376-R380 HydrophobicContact CE1-CG 4.06Å; Y376-R380 HydrophobicContact CE2-CG 4.16Å; Y376-R380 WeakPolarHBondContact O-CG 3.38Å; Y376-R380 PolarHBondContact O-N 2.78Å; Y376-R380 VanDerWaalsContact O-N 3.13Å; Y376-R380 PolarHBondContact OH-NE 2.84Å; Y376-R380 VanDerWaalsContact OH-NE 3.13Å; Y376-R380 PolarHBondContact OH-NH2 3.4Å; Y376-L591 HydrophobicContact CD1-CD2 4.38Å |
| 377 | L | 86 | Confident | 77.8 | Confident | 37 Ų | 37 | 96.5 Ų | 96.5 | 19% | 0.194 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -54.1 | -53.3 | 175.6 | 175 | 67.5 | 0 | 0 | 0 | 110.5 | K373 V374 S379 R380 L381 I493 F592 L600 | K373-L377 WeakPolarHBondContact O-CB 3.41Å; K373-L377 PolarHBondContact O-N 3.02Å; V374-L377 PolarHBondContact O-N 3.3Å; L377-S379 VanDerWaalsContact C-N 3.26Å; L377-S379 PolarHBondContact O-N 3.23Å; L377-R380 CarbonylContact O-C 3.6Å; L377-R380 WeakPolarHBondContact O-CA 3.14Å; L377-R380 PolarHBondContact O-N 2.96Å; L377-L381 HydrophobicContact CD1-CD2 4.32Å; L377-L381 WeakPolarHBondContact O-CG 3.3Å; L377-L381 PolarHBondContact O-N 3.19Å; L377-I493 HydrophobicContact CD2-CG2 4.1Å; L377-F592 HydrophobicContact CB-CE2 4.35Å; L377-F592 HydrophobicContact CB-CZ 4.08Å; L377-F592 HydrophobicContact CD1-CE2 4.44Å; L377-F592 HydrophobicContact CD2-CE2 3.87Å; L377-F592 HydrophobicContact CD2-CZ 3.91Å; L377-F592 HydrophobicContact CG-CE2 4.44Å; L377-L600 HydrophobicContact CD2-CD2 3.88Å |
| 378 | R | 84.9 | Confident | 78.5 | Confident | 109 Ų | 109 | 98.7 Ų | 98.7 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.5 | -37.1 | 179.1 | -74.5 | 179.1 | 173.5 | 175.2 | -3.8 | 112.6 | V374 E375 Y376 R380 L381 Y666 | V374-R378 WeakPolarHBondContact O-CB 3.18Å; V374-R378 WeakPolarHBondContact O-CG 3.18Å; V374-R378 PolarHBondContact O-N 3.09Å; E375-R378 PolarHBondContact O-N 2.96Å; Y376-R378 PolarHBondContact O-N 2.79Å; R378-R380 PolarHBondContact O-N 3.1Å; R378-L381 PolarHBondContact O-N 2.92Å; R378-Y666 VanDerWaalsContact CZ-OH 3.3Å; R378-Y666 PolarHBondContact NH1-OH 3.05Å; R378-Y666 PolarHBondContact NH2-OH 3.09Å |
| 379 | S | 85.1 | Confident | 79.6 | Confident | 87 Ų | 87 | 87.9 Ų | 87.9 | 61% | 0.608 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.4 | -23 | 176 | 80.5 | 0 | 0 | 0 | 0 | 113.5 | E375 Y376 L377 | E375-S379 WeakPolarHBondContact O-CB 3.31Å; E375-S379 PolarHBondContact O-N 3.15Å; Y376-S379 WeakPolarHBondContact O-CB 3.22Å; Y376-S379 PolarHBondContact O-N 3.41Å; Y376-S379 VanDerWaalsContact O-N 3.15Å; Y376-S379 PolarHBondContact O-OG 2.94Å; L377-S379 VanDerWaalsContact C-N 3.26Å; L377-S379 PolarHBondContact O-N 3.23Å |
| 380 | R | 88.8 | Confident | 80.3 | Confident | 172 Ų | 172 | 90.4 Ų | 90.4 | 65% | 0.649 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -97.1 | -12.7 | -179.8 | -66.6 | -61.5 | -165.8 | 178.9 | 2.4 | 113.7 | Y376 L377 R378 | Y376-R380 HydrophobicContact CD1-CG 4.48Å; Y376-R380 HydrophobicContact CE1-CG 4.06Å; Y376-R380 HydrophobicContact CE2-CG 4.16Å; Y376-R380 WeakPolarHBondContact O-CG 3.38Å; Y376-R380 PolarHBondContact O-N 2.78Å; Y376-R380 VanDerWaalsContact O-N 3.13Å; Y376-R380 PolarHBondContact OH-NE 2.84Å; Y376-R380 VanDerWaalsContact OH-NE 3.13Å; Y376-R380 PolarHBondContact OH-NH2 3.4Å; L377-R380 CarbonylContact O-C 3.6Å; L377-R380 WeakPolarHBondContact O-CA 3.14Å; L377-R380 PolarHBondContact O-N 2.96Å; R378-R380 PolarHBondContact O-N 3.1Å |
| 381 | L | 88.4 | Confident | 81.2 | Confident | 49 Ų | 49 | 90 Ų | 90 | 26% | 0.257 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -65.9 | 135.5 | 178.5 | -71.3 | 178.2 | 0 | 0 | 0 | 110.9 | L377 R378 K383 Y494 | L377-L381 HydrophobicContact CD1-CD2 4.32Å; L377-L381 WeakPolarHBondContact O-CG 3.3Å; L377-L381 PolarHBondContact O-N 3.19Å; R378-L381 PolarHBondContact O-N 2.92Å; L381-K383 PolarHBondContact O-N 3.19Å; L381-Y494 HydrophobicContact CB-CD2 4.25Å; L381-Y494 HydrophobicContact CB-CE2 4.15Å; L381-Y494 HydrophobicContact CD1-CD2 3.97Å; L381-Y494 HydrophobicContact CD2-CD2 4.3Å; L381-Y494 HydrophobicContact CG-CD2 4.4Å |
| 382 | P | 87.5 | Confident | 82.1 | Confident | 74 Ų | 74 | 89.8 Ų | 89.8 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 133.9 | 176.8 | -21.7 | 32 | 0 | 0 | 0 | 111.2 | Y494 | P382-Y494 VanDerWaalsContact O-CE2 3.27Å; P382-Y494 WeakPolarHBondContact O-CE2 3.35Å; P382-Y494 PolarHBondContact O-OH 3.07Å |
| 383 | K | 84.4 | Confident | 82.8 | Confident | 179 Ų | 179 | 81.6 Ų | 81.6 | 78% | 0.778 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 154.3 | 175.9 | -66.4 | -175.1 | -178.2 | -179.7 | 0 | 111.1 | L381 | L381-K383 PolarHBondContact O-N 3.19Š|
| 384 | P | 80.6 | Confident | 83.3 | Confident | 43 Ų | 43 | 81.6 Ų | 81.6 | 28% | 0.279 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.2 | 170.8 | 25.4 | -31.9 | 0 | 0 | 0 | 110.6 | S386 | P384-S386 PolarHBondContact O-N 3.19Š|
| 385 | N | 72.7 | Confident | 83.9 | Confident | 125 Ų | 125 | 80.9 Ų | 80.9 | 67% | 0.668 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -64.5 | -26.1 | -178.2 | -72.6 | -5.5 | 0 | 0 | 0 | 112.5 | ||
| 386 | S | 74.3 | Confident | 84.2 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | trans | -136.8 | 132.2 | 177.5 | 178 | 0 | 0 | 0 | 0 | 110.4 | P384 S388 G389 | P384-S386 PolarHBondContact O-N 3.19Å; S386-S388 PolarHBondContact O-N 3.27Å; S386-S388 PolarHBondContact OG-N 3.48Å; S386-S388 PolarHBondContact OG-OG 2.83Å; S386-G389 PolarHBondContact O-N 3.4Å; S386-G389 VanDerWaalsContact O-N 3.08Å | ||
| 387 | N | 68.2 | Low | 84.3 | Confident | 171 Ų | 171 | 78.6 Ų | 78.6 | 91% | 0.914 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.1 | 173.7 | -71.7 | 13.3 | 0 | 0 | 0 | 112.7 | ||
| 388 | S | 70.7 | Confident | 84.2 | Confident | 97 Ų | 97 | 82.8 Ų | 82.8 | 68% | 0.678 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 7.5 | 177.3 | 70.9 | 0 | 0 | 0 | 0 | 113.2 | S386 K390 | S386-S388 PolarHBondContact O-N 3.27Å; S386-S388 PolarHBondContact OG-N 3.48Å; S386-S388 PolarHBondContact OG-OG 2.83Å; S388-K390 PolarHBondContact O-N 3.22Å |
| 389 | G | 80.3 | Confident | 84.3 | Confident | 16 Ų | 16 | 80 Ų | 80 | 17% | 0.165 | 42% | 0.424 | C | S | . | . | trans | -62.7 | 131.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | S386 N418 K419 | S386-G389 PolarHBondContact O-N 3.4Å; S386-G389 VanDerWaalsContact O-N 3.08Å; G389-N418 WeakPolarHBondContact O-CB 3.4Å; G389-K419 PolarHBondContact O-N 2.82Å | ||
| 390 | K | 86.7 | Confident | 84.6 | Confident | 129 Ų | 129 | 76.3 Ų | 76.3 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147.3 | 172.2 | -10.8 | 179 | -172.4 | 174 | 0 | 108.9 | S388 K419 | S388-K390 PolarHBondContact O-N 3.22Å; K390-K419 WeakPolarHBondContact CA-O 3.27Å |
| 391 | C | 90.6 | Very high | 84.6 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.02 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 89.5 | 172.6 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | M393 K411 D415 N418 K419 L420 W421 | C391-M393 WeakPolarHBondContact SG-CE 3.47Å; C391-K411 WeakPolarHBondContact SG-CD 3.41Å; C391-K411 WeakPolarHBondContact SG-CE 3.46Å; C391-D415 WeakPolarHBondContact CB-O 3.34Å; C391-N418 HydrophobicContact CB-CB 4.28Å; C391-K419 PolarHBondContact N-O 2.83Å; C391-L420 HydrophobicContact CB-CD2 3.92Å; C391-W421 PolarHBondContact O-N 3.11Å |
| 392 | D | 89.9 | Confident | 84.6 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 134.8 | -176.8 | -52.8 | -48.2 | 0 | 0 | 0 | 110.6 | K411 W421 | D392-K411 WeakPolarHBondContact O-CE 3.38Å; D392-K411 PolarHBondContact O-NZ 2.78Å; D392-W421 CarbonylContact C-O 3.22Å; D392-W421 WeakPolarHBondContact CA-O 3.5Å; D392-W421 WeakPolarHBondContact OD1-CB 3.48Å |
| 393 | M | 92.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 123.6 | 173 | -51.2 | -169.9 | -168.4 | 0 | 0 | 109.3 | C391 H407 I408 K411 L416 W421 I422 E423 W439 M491 | C391-M393 WeakPolarHBondContact SG-CE 3.47Å; M393-H407 HydrophobicContact CB-CB 4.49Å; M393-H407 HydrophobicContact CG-CB 4.19Å; M393-H407 HydrophobicContact SD-CB 3.98Å; M393-I408 HydrophobicContact CE-CG1 3.99Å; M393-I408 HydrophobicContact SD-CG1 4.22Å; M393-K411 HydrophobicContact CE-CD 4.01Å; M393-L416 HydrophobicContact CE-CD2 3.72Å; M393-W421 PolarHBondContact N-O 3.01Å; M393-I422 HydrophobicContact CB-CD1 3.78Å; M393-I422 HydrophobicContact CG-CD1 3.97Å; M393-I422 WeakPolarHBondContact O-CA 3.49Å; M393-I422 HydrophobicContact SD-CD1 4.01Å; M393-E423 PolarHBondContact O-N 2.87Å; M393-W439 HydrophobicContact SD-CZ2 4.39Å; M393-M491 HydrophobicContact CE-CE 4.05Å |
| 394 | V | 91.6 | Very high | 85.3 | Confident | 57 Ų | 57 | 55 Ų | 55 | 35% | 0.345 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.3 | 175.7 | -176.3 | 0 | 0 | 0 | 0 | 107.1 | H407 E423 F425 | V394-H407 PolarHBondContact N-NE2 3.24Å; V394-H407 PolarHBondContact O-NE2 2.91Å; V394-E423 CarbonylContact C-O 3.57Å; V394-E423 WeakPolarHBondContact CA-O 3.23Å; V394-E423 HydrophobicContact CG2-CB 4.28Å; V394-F425 HydrophobicContact CG1-CB 4.22Å; V394-F425 HydrophobicContact CG1-CD2 4.29Å |
| 395 | V | 92.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.8 | -173.5 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | L400 D403 I422 E423 F424 F425 | V395-L400 HydrophobicContact CB-CD1 4.2Å; V395-L400 HydrophobicContact CG2-CD1 3.84Å; V395-D403 HydrophobicContact CB-CB 3.97Å; V395-D403 HydrophobicContact CG1-CB 3.85Å; V395-I422 HydrophobicContact CG2-CG2 4.19Å; V395-E423 PolarHBondContact N-O 2.86Å; V395-F424 HydrophobicContact CG2-CD1 3.79Å; V395-F424 HydrophobicContact CG2-CE1 3.81Å; V395-F424 CarbonylContact O-C 3.58Å; V395-F424 VanDerWaalsContact O-CA 3.27Å; V395-F424 WeakPolarHBondContact O-CA 3.46Å; V395-F425 PolarHBondContact O-N 3.15Å |
| 396 | H | 88.9 | Confident | 86.9 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | trans | -92.8 | 147.9 | 170.8 | -56.1 | 71.2 | 0 | 0 | 0 | 109.2 | D398 T399 L400 D403 F425 | H396-D398 VanDerWaalsContact C-N 3.33Å; H396-D398 PolarHBondContact O-N 3.04Å; H396-T399 CarbonylContact O-C 3.46Å; H396-L400 WeakPolarHBondContact O-CA 3.47Å; H396-L400 PolarHBondContact O-N 3.28Å; H396-D403 IonicContact CE1-OD2 3.84Å; H396-D403 IonicContact CG-OD2 3.06Å; H396-D403 PolarHBondContact N-OD2 3Å; H396-D403 IonicContact ND1-OD2 2.91Å; H396-D403 PolarHBondContact ND1-OD2 3.28Å; H396-F425 VanDerWaalsContact CD2-CB 3.5Å; H396-F425 WeakPolarHBondContact CD2-CB 3.38Å; H396-F425 AromaticContact CD2-CD1 3.48Å; H396-F425 VanDerWaalsContact CD2-CD1 3.48Å; H396-F425 WeakPolarHBondContact CD2-CD1 3.32Å; H396-F425 AromaticContact CD2-CG 3.56Å; H396-F425 AromaticContact CE1-CG 3.91Å; H396-F425 AromaticContact NE2-CD1 3.34Å; H396-F425 VanDerWaalsContact NE2-CD1 3.34Å; H396-F425 WeakPolarHBondContact NE2-CD1 3.47Å; H396-F425 AromaticContact NE2-CD2 3.71Å; H396-F425 AromaticContact NE2-CE1 3.93Å; H396-F425 AromaticContact NE2-CG 3.21Å; H396-F425 WeakPolarHBondContact NE2-CG 3.37Å | ||
| 397 | R | 87 | Confident | 87.8 | Confident | 91 Ų | 91 | 54.8 Ų | 54.8 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -62.2 | -41.3 | 175.2 | -68.5 | -169.9 | 179.1 | -96.1 | -5.8 | 111.9 | T399 L400 F424 E427 E438 | R397-T399 PolarHBondContact O-N 3.15Å; R397-L400 WeakPolarHBondContact O-CB 3.39Å; R397-F424 HydrophobicContact CG-CD1 3.71Å; R397-F424 HydrophobicContact CG-CE1 4.09Å; R397-F424 HydrophobicContact CG-CG 4.35Å; R397-E427 WeakPolarHBondContact CD-OE1 3.29Å; R397-E427 IonicContact CZ-OE1 4Å; R397-E427 IonicContact CZ-OE2 2.73Å; R397-E427 IonicContact NE-OE1 2.75Å; R397-E427 PolarHBondContact NE-OE1 3.01Å; R397-E427 IonicContact NE-OE2 3.42Å; R397-E427 PolarHBondContact NE-OE2 2.99Å; R397-E427 IonicContact NH2-OE1 3.15Å; R397-E427 IonicContact NH2-OE2 3.38Å; R397-E427 PolarHBondContact NH2-OE2 3.35Å; R397-E438 IonicContact CZ-OE1 3.01Å; R397-E438 IonicContact NH1-OE1 3.26Å; R397-E438 PolarHBondContact NH1-OE1 3.19Å; R397-E438 IonicContact NH2-OE1 2.79Å; R397-E438 PolarHBondContact NH2-OE1 3.01Å; R397-E438 IonicContact NH2-OE2 3.35Å |
| 398 | D | 84.4 | Confident | 89.1 | Confident | 126 Ų | 126 | 46.7 Ų | 46.7 | 67% | 0.674 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -28.6 | -175.5 | -60.9 | -26.3 | 0 | 0 | 0 | 114.1 | R97 H396 | R97-D398 PolarHBondContact NH1-O 2.61Å; H396-D398 VanDerWaalsContact C-N 3.33Å; H396-D398 PolarHBondContact O-N 3.04Å |
| 399 | T | 87.2 | Confident | 90.3 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 32.6 | -179.7 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | H396 R397 F401 E402 D403 | H396-T399 CarbonylContact O-C 3.46Å; R397-T399 PolarHBondContact O-N 3.15Å; T399-F401 VanDerWaalsContact C-N 3.28Å; T399-F401 PolarHBondContact O-N 3.47Å; T399-E402 VanDerWaalsContact C-OE2 3.3Å; T399-E402 WeakPolarHBondContact CA-OE2 2.86Å; T399-E402 PolarHBondContact O-N 2.64Å; T399-D403 WeakPolarHBondContact O-CB 3.28Å; T399-D403 VanDerWaalsContact O-CG 3.23Å; T399-D403 PolarHBondContact O-N 2.92Å; T399-D403 PolarHBondContact OG1-OD1 3.48Å; T399-D403 PolarHBondContact OG1-OD2 3.43Å |
| 400 | L | 89.7 | Confident | 90.9 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.4 | -45.2 | -173.1 | 175.4 | 64.7 | 0 | 0 | 0 | 112.1 | V395 H396 R397 S404 F424 L442 L443 Q446 | V395-L400 HydrophobicContact CB-CD1 4.2Å; V395-L400 HydrophobicContact CG2-CD1 3.84Å; H396-L400 WeakPolarHBondContact O-CA 3.47Å; H396-L400 PolarHBondContact O-N 3.28Å; R397-L400 WeakPolarHBondContact O-CB 3.39Å; L400-S404 WeakPolarHBondContact O-CB 3.26Å; L400-S404 PolarHBondContact O-N 2.85Å; L400-S404 PolarHBondContact O-OG 3.39Å; L400-F424 HydrophobicContact CD1-CE1 3.99Å; L400-L442 HydrophobicContact CD2-CB 3.31Å; L400-L442 HydrophobicContact CD2-CD1 4.41Å; L400-L442 HydrophobicContact CD2-CG 4.49Å; L400-L443 HydrophobicContact CD2-CB 4.49Å; L400-Q446 HydrophobicContact CD2-CG 4.39Å |
| 401 | F | 89.5 | Confident | 91.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -45.8 | -176.3 | -174.3 | -95.1 | 0 | 0 | 0 | 111.2 | L37 T399 S404 Y405 L443 Q446 I447 Y452 Y481 F484 | L37-F401 HydrophobicContact CD1-CD1 4.05Å; L37-F401 HydrophobicContact CD1-CE1 4.26Å; L37-F401 HydrophobicContact CD2-CE1 4.28Å; T399-F401 VanDerWaalsContact C-N 3.28Å; T399-F401 PolarHBondContact O-N 3.47Å; F401-S404 PolarHBondContact O-N 2.93Å; F401-Y405 VanDerWaalsContact O-CB 3.32Å; F401-Y405 WeakPolarHBondContact O-CB 3.45Å; F401-Y405 PolarHBondContact O-N 2.87Å; F401-L443 HydrophobicContact CB-CD1 4.45Å; F401-L443 HydrophobicContact CD2-CD1 3.87Å; F401-Q446 HydrophobicContact CB-CB 3.99Å; F401-Q446 HydrophobicContact CB-CG 4.43Å; F401-Q446 HydrophobicContact CD2-CB 3.83Å; F401-Q446 HydrophobicContact CG-CB 4.3Å; F401-I447 HydrophobicContact CD2-CG1 4.17Å; F401-I447 HydrophobicContact CE2-CB 4.3Å; F401-I447 HydrophobicContact CE2-CG1 3.68Å; F401-Y452 WeakPolarHBondContact CB-OH 3.46Å; F401-Y452 AromaticContact CD1-CE1 3.96Å; F401-Y452 HydrophobicContact CD1-CE1 3.96Å; F401-Y452 HydrophobicContact CD1-CE2 4.28Å; F401-Y452 AromaticContact CD1-CZ 3.73Å; F401-Y452 HydrophobicContact CD2-CE2 4.2Å; F401-Y452 HydrophobicContact CE1-CD1 4.37Å; F401-Y452 HydrophobicContact CE1-CE1 4.14Å; F401-Y452 HydrophobicContact CE2-CE2 4.45Å; F401-Y452 HydrophobicContact CG-CE2 4.11Å; F401-Y452 AromaticContact CG-CZ 3.83Å; F401-Y481 AromaticContact CE1-CD1 3.65Å; F401-Y481 HydrophobicContact CE1-CD1 3.65Å; F401-Y481 AromaticContact CE1-CE1 3.62Å; F401-Y481 HydrophobicContact CE1-CE1 3.62Å; F401-Y481 AromaticContact CZ-CD1 3.81Å; F401-Y481 HydrophobicContact CZ-CD1 3.81Å; F401-Y481 HydrophobicContact CZ-CE1 4.26Å; F401-F484 HydrophobicContact CD2-CE1 4.26Å; F401-F484 HydrophobicContact CE2-CD1 4.41Å; F401-F484 AromaticContact CE2-CE1 3.76Å; F401-F484 HydrophobicContact CE2-CE1 3.76Å; F401-F484 HydrophobicContact CZ-CD1 4.28Å; F401-F484 HydrophobicContact CZ-CE1 4Å |
| 402 | E | 87.5 | Confident | 91.3 | Very high | 22 Ų | 22 | 52.2 Ų | 52.2 | 10% | 0.103 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.7 | -39.9 | -177.4 | -62.1 | 74.1 | -160 | 0 | 0 | 112.2 | L37 T399 R406 Y452 | L37-E402 HydrophobicContact CD1-CG 3.8Å; L37-E402 WeakPolarHBondContact CD1-OE1 3.42Å; T399-E402 VanDerWaalsContact C-OE2 3.3Å; T399-E402 WeakPolarHBondContact CA-OE2 2.86Å; T399-E402 PolarHBondContact O-N 2.64Å; E402-R406 WeakPolarHBondContact O-CG 3.46Å; E402-R406 PolarHBondContact O-N 3.42Å; E402-R406 PolarHBondContact O-NE 3.28Å; E402-Y452 PolarHBondContact OE1-OH 3.49Å |
| 403 | D | 92.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 175.4 | -69.6 | -0.4 | 0 | 0 | 0 | 110.3 | V395 H396 T399 R406 H407 | V395-D403 HydrophobicContact CB-CB 3.97Å; V395-D403 HydrophobicContact CG1-CB 3.85Å; H396-D403 IonicContact CE1-OD2 3.84Å; H396-D403 IonicContact CG-OD2 3.06Å; H396-D403 PolarHBondContact N-OD2 3Å; H396-D403 IonicContact ND1-OD2 2.91Å; H396-D403 PolarHBondContact ND1-OD2 3.28Å; T399-D403 WeakPolarHBondContact O-CB 3.28Å; T399-D403 VanDerWaalsContact O-CG 3.23Å; T399-D403 PolarHBondContact O-N 2.92Å; T399-D403 PolarHBondContact OG1-OD1 3.48Å; T399-D403 PolarHBondContact OG1-OD2 3.43Å; D403-R406 PolarHBondContact O-N 2.88Å; D403-R406 IonicContact OD1-CZ 3.88Å; D403-R406 IonicContact OD1-NH2 3.32Å; D403-R406 PolarHBondContact OD1-NH2 2.82Å; D403-H407 WeakPolarHBondContact O-CB 3.04Å; D403-H407 PolarHBondContact O-CD2 2.95Å; D403-H407 VanDerWaalsContact O-CD2 3.27Å; D403-H407 PolarHBondContact O-N 2.83Å |
| 404 | S | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 177 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | L400 F401 R406 H407 I408 W439 | L400-S404 WeakPolarHBondContact O-CB 3.26Å; L400-S404 PolarHBondContact O-N 2.85Å; L400-S404 PolarHBondContact O-OG 3.39Å; F401-S404 PolarHBondContact O-N 2.93Å; S404-R406 PolarHBondContact O-N 2.86Å; S404-H407 PolarHBondContact O-N 3.2Å; S404-I408 WeakPolarHBondContact O-CB 3.07Å; S404-I408 WeakPolarHBondContact O-CG1 3.22Å; S404-I408 PolarHBondContact O-N 3.15Å; S404-W439 PolarHBondContact OG-NE1 3.44Å |
| 405 | Y | 93.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56 | -51.8 | 175.8 | 176.5 | -91.8 | 0 | 0 | 0 | 111.4 | L36 F401 H407 I408 M409 S480 Y481 F484 | L36-Y405 HydrophobicContact CD2-CD1 3.97Å; L36-Y405 HydrophobicContact CD2-CE1 3.65Å; F401-Y405 VanDerWaalsContact O-CB 3.32Å; F401-Y405 WeakPolarHBondContact O-CB 3.45Å; F401-Y405 PolarHBondContact O-N 2.87Å; Y405-H407 PolarHBondContact O-N 3.48Å; Y405-I408 PolarHBondContact O-N 2.78Å; Y405-M409 HydrophobicContact CD1-CG 4.48Å; Y405-M409 HydrophobicContact CD2-CG 3.98Å; Y405-M409 HydrophobicContact CE1-CG 4.31Å; Y405-M409 HydrophobicContact CE2-CG 3.78Å; Y405-M409 HydrophobicContact CG-CG 4.33Å; Y405-M409 VanDerWaalsContact O-CB 3.27Å; Y405-M409 WeakPolarHBondContact O-CB 3.08Å; Y405-M409 VanDerWaalsContact O-CG 3.23Å; Y405-M409 WeakPolarHBondContact O-CG 3.4Å; Y405-M409 PolarHBondContact O-N 2.81Å; Y405-S480 PolarHBondContact OH-OG 3.18Å; Y405-Y481 HydrophobicContact CD1-CE1 4.48Å; Y405-Y481 AromaticContact CD2-CD1 3.71Å; Y405-Y481 HydrophobicContact CD2-CD1 3.71Å; Y405-Y481 AromaticContact CD2-CE1 3.53Å; Y405-Y481 HydrophobicContact CD2-CE1 3.53Å; Y405-Y481 AromaticContact CE2-CD1 3.75Å; Y405-Y481 HydrophobicContact CE2-CD1 3.75Å; Y405-Y481 AromaticContact CE2-CE1 3.64Å; Y405-Y481 HydrophobicContact CE2-CE1 3.64Å; Y405-Y481 HydrophobicContact CE2-CG 4.32Å; Y405-Y481 AromaticContact CG-CE1 3.98Å; Y405-Y481 HydrophobicContact CG-CE1 3.98Å; Y405-F484 VanDerWaalsContact CA-CE2 3.41Å; Y405-F484 HydrophobicContact CD2-CB 3.65Å; Y405-F484 AromaticContact CD2-CD1 3.91Å; Y405-F484 HydrophobicContact CD2-CD1 3.91Å; Y405-F484 HydrophobicContact CD2-CD2 4.06Å; Y405-F484 AromaticContact CD2-CG 3.6Å; Y405-F484 HydrophobicContact CD2-CG 3.6Å; Y405-F484 HydrophobicContact CE2-CB 3.9Å; Y405-F484 HydrophobicContact CE2-CG 4.36Å; Y405-F484 HydrophobicContact CG-CG 4.48Å |
| 406 | R | 93.3 | Very high | 91.3 | Very high | 135 Ų | 135 | 57 Ų | 57 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 178.7 | -73.2 | -175.4 | -69.7 | 150.7 | -11.3 | 111.8 | L36 E402 D403 S404 I408 D410 | L36-R406 HydrophobicContact CD1-CG 4Å; E402-R406 WeakPolarHBondContact O-CG 3.46Å; E402-R406 PolarHBondContact O-N 3.42Å; E402-R406 PolarHBondContact O-NE 3.28Å; D403-R406 PolarHBondContact O-N 2.88Å; D403-R406 IonicContact OD1-CZ 3.88Å; D403-R406 IonicContact OD1-NH2 3.32Å; D403-R406 PolarHBondContact OD1-NH2 2.82Å; S404-R406 PolarHBondContact O-N 2.86Å; R406-I408 PolarHBondContact O-N 2.93Å; R406-D410 VanDerWaalsContact O-CB 3.27Å; R406-D410 WeakPolarHBondContact O-CB 3.08Å; R406-D410 PolarHBondContact O-N 3.04Å |
| 407 | H | 94.5 | Very high | 91.5 | Very high | 56 Ų | 56 | 56.5 Ų | 56.5 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | -177.8 | -85.9 | -50.5 | 0 | 0 | 0 | 114 | M393 V394 D403 S404 Y405 K411 | M393-H407 HydrophobicContact CB-CB 4.49Å; M393-H407 HydrophobicContact CG-CB 4.19Å; M393-H407 HydrophobicContact SD-CB 3.98Å; V394-H407 PolarHBondContact N-NE2 3.24Å; V394-H407 PolarHBondContact O-NE2 2.91Å; D403-H407 WeakPolarHBondContact O-CB 3.04Å; D403-H407 PolarHBondContact O-CD2 2.95Å; D403-H407 VanDerWaalsContact O-CD2 3.27Å; D403-H407 PolarHBondContact O-N 2.83Å; S404-H407 PolarHBondContact O-N 3.2Å; Y405-H407 PolarHBondContact O-N 3.48Å; H407-K411 WeakPolarHBondContact O-CD 3.16Å; H407-K411 WeakPolarHBondContact O-CG 3.32Å; H407-K411 PolarHBondContact O-NZ 2.74Å; H407-K411 VanDerWaalsContact O-NZ 3.14Å |
| 408 | I | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -81.5 | -47.2 | -176.3 | -75.3 | 162.2 | 0 | 0 | 0 | 110 | M393 S404 Y405 R406 D410 K411 L416 W439 F484 R487 I488 M491 | M393-I408 HydrophobicContact CE-CG1 3.99Å; M393-I408 HydrophobicContact SD-CG1 4.22Å; S404-I408 WeakPolarHBondContact O-CB 3.07Å; S404-I408 WeakPolarHBondContact O-CG1 3.22Å; S404-I408 PolarHBondContact O-N 3.15Å; Y405-I408 PolarHBondContact O-N 2.78Å; R406-I408 PolarHBondContact O-N 2.93Å; I408-D410 PolarHBondContact O-N 3.48Å; I408-K411 PolarHBondContact O-N 2.8Å; I408-L416 HydrophobicContact CG1-CD2 4.39Å; I408-L416 HydrophobicContact CG2-CD1 4.23Å; I408-W439 HydrophobicContact CD1-CH2 3.78Å; I408-W439 HydrophobicContact CD1-CZ2 3.87Å; I408-F484 HydrophobicContact CB-CD2 4.01Å; I408-F484 HydrophobicContact CB-CE2 3.97Å; I408-F484 HydrophobicContact CD1-CD2 4.3Å; I408-F484 HydrophobicContact CD1-CE2 3.55Å; I408-F484 HydrophobicContact CD1-CZ 4.45Å; I408-F484 HydrophobicContact CG1-CE2 4.34Å; I408-F484 HydrophobicContact CG2-CD2 3.95Å; I408-F484 HydrophobicContact CG2-CE2 4.29Å; I408-R487 HydrophobicContact CG2-CB 3.99Å; I408-R487 PolarHBondContact O-NH1 3.5Å; I408-I488 HydrophobicContact CD1-CD1 3.13Å; I408-I488 HydrophobicContact CD1-CG1 4.08Å; I408-M491 HydrophobicContact CD1-SD 4.11Å; I408-M491 HydrophobicContact CG1-SD 4.21Å |
| 409 | M | 94.4 | Very high | 91.9 | Very high | 60 Ų | 60 | 51.6 Ų | 51.6 | 30% | 0.296 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.7 | -27.8 | -178.5 | -65.9 | -59.1 | -69.5 | 0 | 0 | 112.9 | Y405 F484 | Y405-M409 HydrophobicContact CD1-CG 4.48Å; Y405-M409 HydrophobicContact CD2-CG 3.98Å; Y405-M409 HydrophobicContact CE1-CG 4.31Å; Y405-M409 HydrophobicContact CE2-CG 3.78Å; Y405-M409 HydrophobicContact CG-CG 4.33Å; Y405-M409 VanDerWaalsContact O-CB 3.27Å; Y405-M409 WeakPolarHBondContact O-CB 3.08Å; Y405-M409 VanDerWaalsContact O-CG 3.23Å; Y405-M409 WeakPolarHBondContact O-CG 3.4Å; Y405-M409 PolarHBondContact O-N 2.81Å; M409-F484 HydrophobicContact CG-CB 4.31Å; M409-F484 HydrophobicContact SD-CB 3.93Å |
| 410 | D | 94 | Very high | 92.1 | Very high | 140 Ų | 140 | 49.5 Ų | 49.5 | 75% | 0.749 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -76.9 | -26.3 | 173.9 | -173.2 | 64.7 | 0 | 0 | 0 | 113.6 | R406 I408 | R406-D410 VanDerWaalsContact O-CB 3.27Å; R406-D410 WeakPolarHBondContact O-CB 3.08Å; R406-D410 PolarHBondContact O-N 3.04Å; I408-D410 PolarHBondContact O-N 3.48Å |
| 411 | K | 94.1 | Very high | 92 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 15% | 0.148 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -85.1 | 144.9 | -176.1 | -77.8 | 178.6 | -175.4 | 68.6 | 0 | 112.6 | C391 D392 M393 H407 I408 D415 L416 R487 | C391-K411 WeakPolarHBondContact SG-CD 3.41Å; C391-K411 WeakPolarHBondContact SG-CE 3.46Å; D392-K411 WeakPolarHBondContact O-CE 3.38Å; D392-K411 PolarHBondContact O-NZ 2.78Å; M393-K411 HydrophobicContact CE-CD 4.01Å; H407-K411 WeakPolarHBondContact O-CD 3.16Å; H407-K411 WeakPolarHBondContact O-CG 3.32Å; H407-K411 PolarHBondContact O-NZ 2.74Å; H407-K411 VanDerWaalsContact O-NZ 3.14Å; I408-K411 PolarHBondContact O-N 2.8Å; K411-D415 HydrophobicContact CB-CB 4.39Å; K411-L416 HydrophobicContact CB-CD2 3.82Å; K411-L416 HydrophobicContact CB-CG 4.11Å; K411-L416 HydrophobicContact CD-CD2 3.8Å; K411-L416 HydrophobicContact CG-CD2 4.48Å; K411-R487 PolarHBondContact O-NH1 2.74Å; K411-R487 VanDerWaalsContact O-NH1 3.11Å; K411-R487 PolarHBondContact O-NH2 2.62Å |
| 412 | K | 91.8 | Very high | 92 | Very high | 127 Ų | 127 | 54.1 Ų | 54.1 | 55% | 0.552 | 24% | 0.243 | S | C | * | . | trans | -81.7 | 160.2 | 173.5 | -62.4 | 179.9 | -174.8 | 171.6 | 0 | 111.1 | Y414 D415 L416 | K412-Y414 HydrophobicContact CB-CD1 3.92Å; K412-Y414 HydrophobicContact CB-CE1 3.62Å; K412-Y414 HydrophobicContact CD-CD1 4.43Å; K412-Y414 HydrophobicContact CD-CE1 3.42Å; K412-Y414 VanDerWaalsContact CD-CE1 3.42Å; K412-Y414 WeakPolarHBondContact CD-OH 3.14Å; K412-Y414 HydrophobicContact CG-CE1 4.18Å; K412-Y414 PolarHBondContact O-N 2.86Å; K412-D415 WeakPolarHBondContact O-CB 3.48Å; K412-D415 PolarHBondContact O-N 2.86Å; K412-L416 PolarHBondContact O-N 3.46Å | ||
| 413 | D | 91.3 | Very high | 92.1 | Very high | 102 Ų | 102 | 57.3 Ų | 57.3 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.3 | -31.7 | -174.9 | -59.3 | -19.6 | 0 | 0 | 0 | 113.7 | D415 R417 R487 | D413-D415 VanDerWaalsContact C-N 3.33Å; D413-R417 WeakPolarHBondContact O-CG 3.44Å; D413-R417 PolarHBondContact O-N 2.83Å; D413-R417 PolarHBondContact O-NH1 2.82Å; D413-R487 IonicContact OD1-CZ 3.86Å; D413-R487 IonicContact OD1-NE 3.44Å; D413-R487 IonicContact OD1-NH2 3.55Å; D413-R487 PolarHBondContact OD1-NH2 2.85Å |
| 414 | Y | 89.7 | Confident | 91.8 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -73 | -26.9 | 177 | 67.7 | -100.2 | 0 | 0 | 0 | 112.8 | K412 R417 | K412-Y414 HydrophobicContact CB-CD1 3.92Å; K412-Y414 HydrophobicContact CB-CE1 3.62Å; K412-Y414 HydrophobicContact CD-CD1 4.43Å; K412-Y414 HydrophobicContact CD-CE1 3.42Å; K412-Y414 VanDerWaalsContact CD-CE1 3.42Å; K412-Y414 WeakPolarHBondContact CD-OH 3.14Å; K412-Y414 HydrophobicContact CG-CE1 4.18Å; K412-Y414 PolarHBondContact O-N 2.86Å; Y414-R417 VanDerWaalsContact CA-CZ 3.5Å; Y414-R417 VanDerWaalsContact CB-NH2 3.3Å |
| 415 | D | 91.4 | Very high | 91.4 | Very high | 46 Ų | 46 | 63.4 Ų | 63.4 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.1 | -42.7 | 176.1 | -64.1 | -50.5 | 0 | 0 | 0 | 110.1 | C391 K411 K412 D413 R417 N418 | C391-D415 WeakPolarHBondContact CB-O 3.34Å; K411-D415 HydrophobicContact CB-CB 4.39Å; K412-D415 WeakPolarHBondContact O-CB 3.48Å; K412-D415 PolarHBondContact O-N 2.86Å; D413-D415 VanDerWaalsContact C-N 3.33Å; D415-R417 PolarHBondContact O-N 2.89Å; D415-R417 VanDerWaalsContact O-N 3.17Å; D415-N418 VanDerWaalsContact O-CB 3.25Å; D415-N418 WeakPolarHBondContact O-CB 3.37Å; D415-N418 PolarHBondContact O-N 2.77Å; D415-N418 PolarHBondContact O-ND2 3.02Å |
| 416 | L | 93.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.8 | -17.1 | 177.9 | -61.9 | -179.7 | 0 | 0 | 0 | 113.8 | M393 I408 K411 K412 R487 M491 H495 | M393-L416 HydrophobicContact CE-CD2 3.72Å; I408-L416 HydrophobicContact CG1-CD2 4.39Å; I408-L416 HydrophobicContact CG2-CD1 4.23Å; K411-L416 HydrophobicContact CB-CD2 3.82Å; K411-L416 HydrophobicContact CB-CG 4.11Å; K411-L416 HydrophobicContact CD-CD2 3.8Å; K411-L416 HydrophobicContact CG-CD2 4.48Å; K412-L416 PolarHBondContact O-N 3.46Å; L416-R487 VanDerWaalsContact CD1-CZ 3.46Å; L416-M491 HydrophobicContact CB-CG 4.31Å; L416-M491 HydrophobicContact CB-SD 4.32Å; L416-M491 HydrophobicContact CD1-CG 4.4Å; L416-M491 HydrophobicContact CD1-SD 3.9Å; L416-M491 HydrophobicContact CD2-CE 4.06Å; L416-M491 HydrophobicContact CD2-SD 3.9Å; L416-M491 HydrophobicContact CG-SD 4.27Å; L416-H495 PolarHBondContact O-NE2 2.68Å |
| 417 | R | 92 | Very high | 90.3 | Very high | 61 Ų | 61 | 63.1 Ų | 63.1 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -16.2 | 173.9 | -76 | -168.9 | -64.6 | -92.2 | 10.5 | 113.7 | D413 Y414 D415 Y494 | D413-R417 WeakPolarHBondContact O-CG 3.44Å; D413-R417 PolarHBondContact O-N 2.83Å; D413-R417 PolarHBondContact O-NH1 2.82Å; Y414-R417 VanDerWaalsContact CA-CZ 3.5Å; Y414-R417 VanDerWaalsContact CB-NH2 3.3Å; D415-R417 PolarHBondContact O-N 2.89Å; D415-R417 VanDerWaalsContact O-N 3.17Å; R417-Y494 HydrophobicContact CB-CE1 3.94Å; R417-Y494 HydrophobicContact CB-CE2 4.36Å; R417-Y494 WeakPolarHBondContact CB-OH 3.36Å; R417-Y494 HydrophobicContact CG-CD2 4.27Å; R417-Y494 HydrophobicContact CG-CE1 4.01Å; R417-Y494 HydrophobicContact CG-CE2 3.72Å; R417-Y494 WeakPolarHBondContact O-CE1 3.22Å; R417-Y494 PolarHBondContact O-OH 3.3Å |
| 418 | N | 91.1 | Very high | 89.1 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -70.7 | 167.1 | 176.5 | -68.3 | -34.2 | 0 | 0 | 0 | 111.1 | G389 C391 D415 L420 H495 | G389-N418 WeakPolarHBondContact O-CB 3.4Å; C391-N418 HydrophobicContact CB-CB 4.28Å; D415-N418 VanDerWaalsContact O-CB 3.25Å; D415-N418 WeakPolarHBondContact O-CB 3.37Å; D415-N418 PolarHBondContact O-N 2.77Å; D415-N418 PolarHBondContact O-ND2 3.02Å; N418-L420 PolarHBondContact O-N 2.86Å; N418-L420 VanDerWaalsContact O-N 3.15Å; N418-H495 PolarHBondContact O-CE1 3.45Å; N418-H495 VanDerWaalsContact O-CE1 3.23Å |
| 419 | K | 88.7 | Confident | 87.3 | Confident | 102 Ų | 102 | 69.7 Ų | 69.7 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 121.9 | 176.8 | -176.2 | 174.8 | -179.4 | 175.2 | 0 | 109.3 | G389 K390 C391 | G389-K419 PolarHBondContact O-N 2.82Å; K390-K419 WeakPolarHBondContact CA-O 3.27Å; C391-K419 PolarHBondContact N-O 2.83Å |
| 420 | L | 90.8 | Very high | 85.6 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 136.6 | 177.3 | -54.5 | -176.9 | 0 | 0 | 0 | 109.8 | C391 N418 I422 T436 F440 M491 | C391-L420 HydrophobicContact CB-CD2 3.92Å; N418-L420 PolarHBondContact O-N 2.86Å; N418-L420 VanDerWaalsContact O-N 3.15Å; L420-I422 HydrophobicContact CB-CD1 4.47Å; L420-T436 HydrophobicContact CB-CG2 4.22Å; L420-T436 HydrophobicContact CD1-CG2 3.96Å; L420-F440 HydrophobicContact CD1-CE2 3.84Å; L420-F440 HydrophobicContact CD1-CZ 4.15Å; L420-M491 HydrophobicContact CD1-CE 3.94Å; L420-M491 HydrophobicContact CD2-CE 3.91Å |
| 421 | W | 88.3 | Confident | 84 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 40% | 0.398 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 96.1 | 174.5 | -105.1 | 56 | 0 | 0 | 0 | 107 | C391 D392 M393 | C391-W421 PolarHBondContact O-N 3.11Å; D392-W421 CarbonylContact C-O 3.22Å; D392-W421 WeakPolarHBondContact CA-O 3.5Å; D392-W421 WeakPolarHBondContact OD1-CB 3.48Å; M393-W421 PolarHBondContact N-O 3.01Å |
| 422 | I | 90.1 | Very high | 82.6 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.3 | -178.6 | -49.8 | -57.9 | 0 | 0 | 0 | 109.6 | M393 V395 L420 D431 V435 W439 | M393-I422 HydrophobicContact CB-CD1 3.78Å; M393-I422 HydrophobicContact CG-CD1 3.97Å; M393-I422 WeakPolarHBondContact O-CA 3.49Å; M393-I422 HydrophobicContact SD-CD1 4.01Å; V395-I422 HydrophobicContact CG2-CG2 4.19Å; L420-I422 HydrophobicContact CB-CD1 4.47Å; I422-D431 PolarHBondContact N-OD2 3.27Å; I422-D431 WeakPolarHBondContact O-CB 3.34Å; I422-V435 HydrophobicContact CB-CG1 4.15Å; I422-V435 HydrophobicContact CG2-CG1 4.15Å; I422-V435 VanDerWaalsContact O-CG1 3.27Å; I422-V435 WeakPolarHBondContact O-CG1 3.43Å; I422-W439 HydrophobicContact CB-CB 4.48Å; I422-W439 HydrophobicContact CD1-CD2 4.25Å; I422-W439 HydrophobicContact CD1-CE3 4.38Å; I422-W439 HydrophobicContact CG1-CB 4.39Å; I422-W439 HydrophobicContact CG1-CD2 4.29Å; I422-W439 HydrophobicContact CG1-CE3 4.39Å; I422-W439 HydrophobicContact CG1-CG 4.29Å; I422-W439 HydrophobicContact CG2-CB 3.82Å; I422-W439 HydrophobicContact CG2-CD2 4.5Å; I422-W439 HydrophobicContact CG2-CG 3.77Å |
| 423 | E | 88.1 | Confident | 81.5 | Confident | 89 Ų | 89 | 64.6 Ų | 64.6 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.4 | 176 | -175.9 | 179.7 | 157.7 | 0 | 0 | 109.5 | M393 V394 V395 | M393-E423 PolarHBondContact O-N 2.87Å; V394-E423 CarbonylContact C-O 3.57Å; V394-E423 WeakPolarHBondContact CA-O 3.23Å; V394-E423 HydrophobicContact CG2-CB 4.28Å; V395-E423 PolarHBondContact N-O 2.86Å |
| 424 | F | 88.4 | Confident | 80.7 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 2% | 0.022 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 123.4 | 167 | -72.5 | -71.6 | 0 | 0 | 0 | 109.1 | V395 R397 L400 G426 E427 V435 E438 W439 L442 | V395-F424 HydrophobicContact CG2-CD1 3.79Å; V395-F424 HydrophobicContact CG2-CE1 3.81Å; V395-F424 CarbonylContact O-C 3.58Å; V395-F424 VanDerWaalsContact O-CA 3.27Å; V395-F424 WeakPolarHBondContact O-CA 3.46Å; R397-F424 HydrophobicContact CG-CD1 3.71Å; R397-F424 HydrophobicContact CG-CE1 4.09Å; R397-F424 HydrophobicContact CG-CG 4.35Å; L400-F424 HydrophobicContact CD1-CE1 3.99Å; F424-G426 PolarHBondContact O-N 2.81Å; F424-E427 HydrophobicContact CB-CB 4.11Å; F424-E427 VanDerWaalsContact CB-CD 3.5Å; F424-E427 HydrophobicContact CB-CG 4.18Å; F424-E427 WeakPolarHBondContact CB-OE1 3.34Å; F424-E427 WeakPolarHBondContact O-CB 3.21Å; F424-E427 PolarHBondContact O-N 2.77Å; F424-V435 HydrophobicContact CD2-CG1 3.67Å; F424-V435 HydrophobicContact CE2-CG1 3.69Å; F424-E438 HydrophobicContact CE2-CG 4.34Å; F424-W439 HydrophobicContact CZ-CB 4.38Å; F424-L442 HydrophobicContact CE1-CD1 4.3Å; F424-L442 HydrophobicContact CZ-CD1 3.85Å |
| 425 | F | 86.1 | Confident | 80.4 | Confident | 128 Ų | 128 | 56.6 Ų | 56.6 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 127.2 | -175.1 | 179.8 | -92.3 | 0 | 0 | 0 | 111.6 | V394 V395 H396 E427 | V394-F425 HydrophobicContact CG1-CB 4.22Å; V394-F425 HydrophobicContact CG1-CD2 4.29Å; V395-F425 PolarHBondContact O-N 3.15Å; H396-F425 VanDerWaalsContact CD2-CB 3.5Å; H396-F425 WeakPolarHBondContact CD2-CB 3.38Å; H396-F425 AromaticContact CD2-CD1 3.48Å; H396-F425 VanDerWaalsContact CD2-CD1 3.48Å; H396-F425 WeakPolarHBondContact CD2-CD1 3.32Å; H396-F425 AromaticContact CD2-CG 3.56Å; H396-F425 AromaticContact CE1-CG 3.91Å; H396-F425 AromaticContact NE2-CD1 3.34Å; H396-F425 VanDerWaalsContact NE2-CD1 3.34Å; H396-F425 WeakPolarHBondContact NE2-CD1 3.47Å; H396-F425 AromaticContact NE2-CD2 3.71Å; H396-F425 AromaticContact NE2-CE1 3.93Å; H396-F425 AromaticContact NE2-CG 3.21Å; H396-F425 WeakPolarHBondContact NE2-CG 3.37Å; F425-E427 VanDerWaalsContact C-N 3.28Å; F425-E427 PolarHBondContact O-N 3.3Å |
| 426 | G | 82.2 | Confident | 80.3 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 76% | 0.763 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | -5.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F424 | F424-G426 PolarHBondContact O-N 2.81Š|
| 427 | E | 80.8 | Confident | 79.8 | Confident | 78 Ų | 78 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -100.1 | 141.1 | 180 | -67.5 | 172.9 | -136 | 0 | 0 | 112.1 | R397 F424 F425 G429 | R397-E427 WeakPolarHBondContact CD-OE1 3.29Å; R397-E427 IonicContact CZ-OE1 4Å; R397-E427 IonicContact CZ-OE2 2.73Å; R397-E427 IonicContact NE-OE1 2.75Å; R397-E427 PolarHBondContact NE-OE1 3.01Å; R397-E427 IonicContact NE-OE2 3.42Å; R397-E427 PolarHBondContact NE-OE2 2.99Å; R397-E427 IonicContact NH2-OE1 3.15Å; R397-E427 IonicContact NH2-OE2 3.38Å; R397-E427 PolarHBondContact NH2-OE2 3.35Å; F424-E427 HydrophobicContact CB-CB 4.11Å; F424-E427 VanDerWaalsContact CB-CD 3.5Å; F424-E427 HydrophobicContact CB-CG 4.18Å; F424-E427 WeakPolarHBondContact CB-OE1 3.34Å; F424-E427 WeakPolarHBondContact O-CB 3.21Å; F424-E427 PolarHBondContact O-N 2.77Å; F425-E427 VanDerWaalsContact C-N 3.28Å; F425-E427 PolarHBondContact O-N 3.3Å; E427-G429 VanDerWaalsContact C-N 3.32Å; E427-G429 PolarHBondContact O-N 3.38Å |
| 428 | T | 68.2 | Low | 79.4 | Confident | 158 Ų | 158 | 54.7 Ų | 54.7 | 97% | 0.969 | 29% | 0.291 | S | S | * | . | trans | -82.3 | 76.5 | 175.3 | 45.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 429 | G | 58.8 | Low | 79.4 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 37% | 0.371 | 29% | 0.288 | S | S | . | . | trans | -110.2 | 114.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | E427 | E427-G429 VanDerWaalsContact C-N 3.32Å; E427-G429 PolarHBondContact O-N 3.38Å | ||
| 430 | L | 59.4 | Low | 79.6 | Confident | 121 Ų | 121 | 49.3 Ų | 49.3 | 63% | 0.634 | 27% | 0.267 | S | S | * | . | trans | -85.6 | 106.6 | 162.7 | -74 | 168.9 | 0 | 0 | 0 | 108.1 | Y432 | L430-Y432 VanDerWaalsContact C-N 3.28Å; L430-Y432 HydrophobicContact CB-CD2 4.05Å; L430-Y432 HydrophobicContact CB-CE2 3.78Å; L430-Y432 HydrophobicContact CD1-CE2 4.2Å; L430-Y432 PolarHBondContact O-N 2.76Å | ||
| 431 | D | 60 | Low | 79.4 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.032 | 27% | 0.269 | C | S | . | . | trans | -73.1 | 82.8 | -177.9 | -165.5 | 15 | 0 | 0 | 0 | 111.8 | I422 G433 V435 T436 | I422-D431 PolarHBondContact N-OD2 3.27Å; I422-D431 WeakPolarHBondContact O-CB 3.34Å; D431-G433 PolarHBondContact O-N 3.04Å; D431-G433 WeakPolarHBondContact OD1-CA 3.44Å; D431-G433 PolarHBondContact OD1-N 3.29Å; D431-V435 HydrophobicContact CB-CB 4.19Å; D431-V435 HydrophobicContact CB-CG2 4.41Å; D431-V435 PolarHBondContact OD1-N 3.27Å; D431-T436 PolarHBondContact OD1-N 3.17Å; D431-T436 PolarHBondContact OD2-OG1 2.81Å | ||
| 432 | Y | 65.1 | Low | 79.4 | Confident | 120 Ų | 120 | 47 Ų | 47 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.6 | -9.3 | 162.3 | -70.9 | -77.2 | 0 | 0 | 0 | 111.1 | L430 S668 | L430-Y432 VanDerWaalsContact C-N 3.28Å; L430-Y432 HydrophobicContact CB-CD2 4.05Å; L430-Y432 HydrophobicContact CB-CE2 3.78Å; L430-Y432 HydrophobicContact CD1-CE2 4.2Å; L430-Y432 PolarHBondContact O-N 2.76Å; Y432-S668 VanDerWaalsContact C-CB 3.49Å; Y432-S668 CarbonylContact O-C 3.58Å; Y432-S668 WeakPolarHBondContact O-CA 3.35Å; Y432-S668 WeakPolarHBondContact O-CB 3.4Å |
| 433 | G | 68.3 | Low | 79.4 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 126.4 | -3.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D431 R437 | D431-G433 PolarHBondContact O-N 3.04Å; D431-G433 WeakPolarHBondContact OD1-CA 3.44Å; D431-G433 PolarHBondContact OD1-N 3.29Å; G433-R437 PolarHBondContact O-N 2.73Å; G433-R437 PolarHBondContact O-NE 3.16Å |
| 434 | G | 74.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.6 | -49.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T436 R437 E438 C691 | G434-T436 VanDerWaalsContact C-N 3.34Å; G434-T436 PolarHBondContact O-N 3.14Å; G434-R437 WeakPolarHBondContact O-CB 3.22Å; G434-R437 PolarHBondContact O-N 2.76Å; G434-E438 PolarHBondContact O-N 3.41Å; G434-C691 PolarHBondContact N-SG 3.39Å; G434-C691 VanDerWaalsContact N-SG 3.35Å |
| 435 | V | 84 | Confident | 79 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 178.6 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | I422 F424 D431 R437 E438 W439 | I422-V435 HydrophobicContact CB-CG1 4.15Å; I422-V435 HydrophobicContact CG2-CG1 4.15Å; I422-V435 VanDerWaalsContact O-CG1 3.27Å; I422-V435 WeakPolarHBondContact O-CG1 3.43Å; F424-V435 HydrophobicContact CD2-CG1 3.67Å; F424-V435 HydrophobicContact CE2-CG1 3.69Å; D431-V435 HydrophobicContact CB-CB 4.19Å; D431-V435 HydrophobicContact CB-CG2 4.41Å; D431-V435 PolarHBondContact OD1-N 3.27Å; V435-R437 VanDerWaalsContact C-N 3.27Å; V435-R437 PolarHBondContact O-N 3.21Å; V435-E438 PolarHBondContact O-N 2.89Å; V435-W439 VanDerWaalsContact O-CB 3.32Å; V435-W439 WeakPolarHBondContact O-CB 3.33Å; V435-W439 PolarHBondContact O-N 2.76Å |
| 436 | T | 88.5 | Confident | 78.8 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.5 | -40.6 | 172.1 | -68.9 | 0 | 0 | 0 | 0 | 112.7 | L420 D431 G434 F440 | L420-T436 HydrophobicContact CB-CG2 4.22Å; L420-T436 HydrophobicContact CD1-CG2 3.96Å; D431-T436 PolarHBondContact OD1-N 3.17Å; D431-T436 PolarHBondContact OD2-OG1 2.81Å; G434-T436 VanDerWaalsContact C-N 3.34Å; G434-T436 PolarHBondContact O-N 3.14Å; T436-F440 HydrophobicContact CG2-CD2 3.98Å; T436-F440 HydrophobicContact CG2-CE2 3.91Å; T436-F440 VanDerWaalsContact O-CD2 3.26Å; T436-F440 WeakPolarHBondContact O-CD2 3.43Å; T436-F440 PolarHBondContact O-N 2.8Å; T436-F440 VanDerWaalsContact O-N 3.15Å |
| 437 | R | 82.6 | Confident | 78.7 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.9 | -45.8 | -179.4 | -87 | -177.4 | -68.9 | 172.3 | -0.8 | 112.3 | G433 G434 V435 W439 F440 F441 K497 S652 Y666 T690 N693 | G433-R437 PolarHBondContact O-N 2.73Å; G433-R437 PolarHBondContact O-NE 3.16Å; G434-R437 WeakPolarHBondContact O-CB 3.22Å; G434-R437 PolarHBondContact O-N 2.76Å; V435-R437 VanDerWaalsContact C-N 3.27Å; V435-R437 PolarHBondContact O-N 3.21Å; R437-W439 PolarHBondContact O-N 3.2Å; R437-F440 PolarHBondContact O-N 2.93Å; R437-F441 WeakPolarHBondContact O-CB 3.42Å; R437-F441 PolarHBondContact O-N 3.45Å; R437-K497 HydrophobicContact CG-CD 3.86Å; R437-S652 PolarHBondContact NE-O 3.01Å; R437-S652 PolarHBondContact NH1-O 2.97Å; R437-Y666 PolarHBondContact NH1-O 2.83Å; R437-T690 PolarHBondContact NH2-O 3.26Å; R437-N693 PolarHBondContact NH1-OD1 3.07Å; R437-N693 PolarHBondContact NH2-OD1 3.26Å |
| 438 | E | 84.8 | Confident | 78.3 | Confident | 55 Ų | 55 | 36.6 Ų | 36.6 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 174.5 | -176 | -176.7 | 176.3 | 0 | 0 | 110.5 | R397 F424 G434 V435 F440 F441 L442 | R397-E438 IonicContact CZ-OE1 3.01Å; R397-E438 IonicContact NH1-OE1 3.26Å; R397-E438 PolarHBondContact NH1-OE1 3.19Å; R397-E438 IonicContact NH2-OE1 2.79Å; R397-E438 PolarHBondContact NH2-OE1 3.01Å; R397-E438 IonicContact NH2-OE2 3.35Å; F424-E438 HydrophobicContact CE2-CG 4.34Å; G434-E438 PolarHBondContact O-N 3.41Å; V435-E438 PolarHBondContact O-N 2.89Å; E438-F440 PolarHBondContact O-N 3.15Å; E438-F441 WeakPolarHBondContact O-CB 3.45Å; E438-F441 PolarHBondContact O-N 2.95Å; E438-L442 HydrophobicContact CG-CD1 3.84Å; E438-L442 HydrophobicContact CG-CG 4.14Å; E438-L442 WeakPolarHBondContact O-CB 3.21Å; E438-L442 WeakPolarHBondContact O-CG 3.44Å; E438-L442 PolarHBondContact O-N 3.37Å |
| 439 | W | 90.8 | Very high | 78.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 175.7 | 174.4 | 80.1 | 0 | 0 | 0 | 112.9 | M393 S404 I408 I422 F424 V435 R437 F441 L443 I488 M491 | M393-W439 HydrophobicContact SD-CZ2 4.39Å; S404-W439 PolarHBondContact OG-NE1 3.44Å; I408-W439 HydrophobicContact CD1-CH2 3.78Å; I408-W439 HydrophobicContact CD1-CZ2 3.87Å; I422-W439 HydrophobicContact CB-CB 4.48Å; I422-W439 HydrophobicContact CD1-CD2 4.25Å; I422-W439 HydrophobicContact CD1-CE3 4.38Å; I422-W439 HydrophobicContact CG1-CB 4.39Å; I422-W439 HydrophobicContact CG1-CD2 4.29Å; I422-W439 HydrophobicContact CG1-CE3 4.39Å; I422-W439 HydrophobicContact CG1-CG 4.29Å; I422-W439 HydrophobicContact CG2-CB 3.82Å; I422-W439 HydrophobicContact CG2-CD2 4.5Å; I422-W439 HydrophobicContact CG2-CG 3.77Å; F424-W439 HydrophobicContact CZ-CB 4.38Å; V435-W439 VanDerWaalsContact O-CB 3.32Å; V435-W439 WeakPolarHBondContact O-CB 3.33Å; V435-W439 PolarHBondContact O-N 2.76Å; R437-W439 PolarHBondContact O-N 3.2Å; W439-F441 VanDerWaalsContact C-N 3.31Å; W439-F441 PolarHBondContact O-N 2.94Å; W439-L443 HydrophobicContact CH2-CD2 3.97Å; W439-L443 HydrophobicContact CZ2-CD2 3.54Å; W439-L443 WeakPolarHBondContact O-CB 3.45Å; W439-L443 PolarHBondContact O-N 3.23Å; W439-I488 HydrophobicContact CH2-CD1 3.48Å; W439-I488 VanDerWaalsContact CH2-CD1 3.48Å; W439-I488 HydrophobicContact CZ2-CD1 4.03Å; W439-I488 HydrophobicContact CZ3-CD1 4.33Å; W439-M491 HydrophobicContact CH2-CE 4.17Å; W439-M491 HydrophobicContact CZ3-CE 4.39Å |
| 440 | F | 91.8 | Very high | 78.6 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | 174.6 | -87.3 | -71.3 | 0 | 0 | 0 | 112.4 | L420 T436 R437 E438 S444 I488 M491 A492 K497 L499 | L420-F440 HydrophobicContact CD1-CE2 3.84Å; L420-F440 HydrophobicContact CD1-CZ 4.15Å; T436-F440 HydrophobicContact CG2-CD2 3.98Å; T436-F440 HydrophobicContact CG2-CE2 3.91Å; T436-F440 VanDerWaalsContact O-CD2 3.26Å; T436-F440 WeakPolarHBondContact O-CD2 3.43Å; T436-F440 PolarHBondContact O-N 2.8Å; T436-F440 VanDerWaalsContact O-N 3.15Å; R437-F440 PolarHBondContact O-N 2.93Å; E438-F440 PolarHBondContact O-N 3.15Å; F440-S444 WeakPolarHBondContact O-CB 3.43Å; F440-S444 PolarHBondContact O-N 2.77Å; F440-S444 PolarHBondContact O-OG 2.9Å; F440-I488 HydrophobicContact CD1-CG2 4.3Å; F440-I488 HydrophobicContact CE1-CG2 4.23Å; F440-M491 HydrophobicContact CE1-CB 4.24Å; F440-M491 HydrophobicContact CZ-CB 3.96Å; F440-A492 HydrophobicContact CD1-CB 4.15Å; F440-A492 HydrophobicContact CE1-CB 3.79Å; F440-A492 HydrophobicContact CZ-CB 4.39Å; F440-K497 HydrophobicContact CD2-CB 3.63Å; F440-K497 HydrophobicContact CD2-CG 3.58Å; F440-K497 HydrophobicContact CE2-CB 3.85Å; F440-K497 HydrophobicContact CE2-CG 3.52Å; F440-K497 HydrophobicContact CG-CB 4.03Å; F440-K497 HydrophobicContact CG-CG 4.46Å; F440-K497 HydrophobicContact CZ-CB 4.39Å; F440-K497 HydrophobicContact CZ-CG 4.33Å; F440-L499 HydrophobicContact CB-CD2 4.39Å; F440-L499 HydrophobicContact CD1-CD2 3.7Å; F440-L499 HydrophobicContact CE1-CD2 4.5Å; F440-L499 HydrophobicContact CG-CD2 4.48Å |
| 441 | F | 86 | Confident | 78.8 | Confident | 17 Ų | 17 | 34.1 Ų | 34.1 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.6 | -49.4 | 178.5 | 171 | -88.4 | 0 | 0 | 0 | 112.2 | R437 E438 W439 L443 S444 H445 D500 Q649 S655 | R437-F441 WeakPolarHBondContact O-CB 3.42Å; R437-F441 PolarHBondContact O-N 3.45Å; E438-F441 WeakPolarHBondContact O-CB 3.45Å; E438-F441 PolarHBondContact O-N 2.95Å; W439-F441 VanDerWaalsContact C-N 3.31Å; W439-F441 PolarHBondContact O-N 2.94Å; F441-L443 VanDerWaalsContact C-N 3.33Å; F441-S444 PolarHBondContact O-N 3.43Å; F441-S444 PolarHBondContact O-OG 3.3Å; F441-H445 AromaticContact CD2-CE1 3.99Å; F441-H445 AromaticContact CE1-CE1 3.67Å; F441-H445 AromaticContact CE1-ND1 3.87Å; F441-H445 AromaticContact CE2-CE1 3.4Å; F441-H445 VanDerWaalsContact CE2-CE1 3.4Å; F441-H445 WeakPolarHBondContact CE2-CE1 3.4Å; F441-H445 AromaticContact CZ-CE1 3.2Å; F441-H445 WeakPolarHBondContact CZ-CE1 3.41Å; F441-H445 AromaticContact CZ-ND1 3.86Å; F441-H445 AromaticContact CZ-NE2 3.95Å; F441-H445 PolarHBondContact O-N 3.34Å; F441-H445 PolarHBondContact O-ND1 2.8Å; F441-D500 HydrophobicContact CD2-CB 3.89Å; F441-D500 HydrophobicContact CE2-CB 4.07Å; F441-D500 WeakPolarHBondContact CE2-OD2 3.47Å; F441-Q649 HydrophobicContact CE2-CG 4.38Å; F441-Q649 HydrophobicContact CZ-CG 4.27Å; F441-S655 WeakPolarHBondContact CE2-OG 3.18Å |
| 442 | L | 88.8 | Confident | 79.3 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 24% | 0.236 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 179.4 | -66.8 | 176.4 | 0 | 0 | 0 | 111 | L400 F424 E438 H445 Q446 | L400-L442 HydrophobicContact CD2-CB 3.31Å; L400-L442 HydrophobicContact CD2-CD1 4.41Å; L400-L442 HydrophobicContact CD2-CG 4.49Å; F424-L442 HydrophobicContact CE1-CD1 4.3Å; F424-L442 HydrophobicContact CZ-CD1 3.85Å; E438-L442 HydrophobicContact CG-CD1 3.84Å; E438-L442 HydrophobicContact CG-CG 4.14Å; E438-L442 WeakPolarHBondContact O-CB 3.21Å; E438-L442 WeakPolarHBondContact O-CG 3.44Å; E438-L442 PolarHBondContact O-N 3.37Å; L442-H445 PolarHBondContact O-N 2.82Å; L442-Q446 PolarHBondContact O-N 3.42Å; L442-Q446 VanDerWaalsContact O-N 3.15Å |
| 443 | L | 89.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.1 | -35.5 | 178.3 | -174.6 | 61.9 | 0 | 0 | 0 | 111.6 | L400 F401 W439 F441 H445 Q446 I447 F484 I488 | L400-L443 HydrophobicContact CD2-CB 4.49Å; F401-L443 HydrophobicContact CB-CD1 4.45Å; F401-L443 HydrophobicContact CD2-CD1 3.87Å; W439-L443 HydrophobicContact CH2-CD2 3.97Å; W439-L443 HydrophobicContact CZ2-CD2 3.54Å; W439-L443 WeakPolarHBondContact O-CB 3.45Å; W439-L443 PolarHBondContact O-N 3.23Å; F441-L443 VanDerWaalsContact C-N 3.33Å; L443-H445 VanDerWaalsContact C-N 3.33Å; L443-H445 PolarHBondContact O-N 3.48Å; L443-Q446 PolarHBondContact O-N 2.99Å; L443-I447 HydrophobicContact CD1-CG1 4.35Å; L443-I447 HydrophobicContact CD2-CD1 4.4Å; L443-I447 HydrophobicContact CG-CD1 3.86Å; L443-I447 HydrophobicContact CG-CG1 4.19Å; L443-I447 WeakPolarHBondContact O-CB 3.46Å; L443-I447 VanDerWaalsContact O-CG1 3.23Å; L443-I447 WeakPolarHBondContact O-CG1 3.39Å; L443-I447 PolarHBondContact O-N 3.18Å; L443-F484 HydrophobicContact CD1-CZ 4.26Å; L443-F484 HydrophobicContact CD2-CZ 4.1Å; L443-I488 HydrophobicContact CD2-CD1 3.38Å; L443-I488 HydrophobicContact CD2-CG1 3.9Å; L443-I488 HydrophobicContact CD2-CG2 4.47Å |
| 444 | S | 86 | Confident | 80.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 173.3 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | F440 F441 Q446 I447 F448 D500 | F440-S444 WeakPolarHBondContact O-CB 3.43Å; F440-S444 PolarHBondContact O-N 2.77Å; F440-S444 PolarHBondContact O-OG 2.9Å; F441-S444 PolarHBondContact O-N 3.43Å; F441-S444 PolarHBondContact O-OG 3.3Å; S444-Q446 VanDerWaalsContact C-N 3.29Å; S444-Q446 PolarHBondContact O-N 3.41Å; S444-I447 PolarHBondContact O-N 3.24Å; S444-F448 WeakPolarHBondContact O-CD2 2.75Å; S444-F448 PolarHBondContact O-N 2.82Å; S444-D500 WeakPolarHBondContact OG-CA 3.42Å; S444-D500 WeakPolarHBondContact OG-CB 3.14Å; S444-D500 PolarHBondContact OG-N 3.08Å; S444-D500 PolarHBondContact OG-O 3.07Å |
| 445 | H | 82 | Confident | 80.5 | Confident | 88 Ų | 88 | 29.9 Ų | 29.9 | 41% | 0.407 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -57.5 | -39.6 | 175.4 | -74.3 | 77.9 | 0 | 0 | 0 | 113.2 | F441 L442 L443 N449 D500 | F441-H445 AromaticContact CD2-CE1 3.99Å; F441-H445 AromaticContact CE1-CE1 3.67Å; F441-H445 AromaticContact CE1-ND1 3.87Å; F441-H445 AromaticContact CE2-CE1 3.4Å; F441-H445 VanDerWaalsContact CE2-CE1 3.4Å; F441-H445 WeakPolarHBondContact CE2-CE1 3.4Å; F441-H445 AromaticContact CZ-CE1 3.2Å; F441-H445 WeakPolarHBondContact CZ-CE1 3.41Å; F441-H445 AromaticContact CZ-ND1 3.86Å; F441-H445 AromaticContact CZ-NE2 3.95Å; F441-H445 PolarHBondContact O-N 3.34Å; F441-H445 PolarHBondContact O-ND1 2.8Å; L442-H445 PolarHBondContact O-N 2.82Å; L443-H445 VanDerWaalsContact C-N 3.33Å; L443-H445 PolarHBondContact O-N 3.48Å; H445-N449 PolarHBondContact O-N 3.17Å; H445-D500 IonicContact CE1-OD2 3.1Å; H445-D500 PolarHBondContact CE1-OD2 2.9Å; H445-D500 VanDerWaalsContact CE1-OD2 3.23Å; H445-D500 IonicContact NE2-OD2 3.56Å |
| 446 | Q | 82 | Confident | 79.8 | Confident | 56 Ų | 56 | 32.1 Ų | 32.1 | 26% | 0.262 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -70.4 | -45.5 | 175.7 | -66.1 | -60.9 | -44 | 0 | 0 | 112.1 | L400 F401 L442 L443 S444 F448 N449 Y452 | L400-Q446 HydrophobicContact CD2-CG 4.39Å; F401-Q446 HydrophobicContact CB-CB 3.99Å; F401-Q446 HydrophobicContact CB-CG 4.43Å; F401-Q446 HydrophobicContact CD2-CB 3.83Å; F401-Q446 HydrophobicContact CG-CB 4.3Å; L442-Q446 PolarHBondContact O-N 3.42Å; L442-Q446 VanDerWaalsContact O-N 3.15Å; L443-Q446 PolarHBondContact O-N 2.99Å; S444-Q446 VanDerWaalsContact C-N 3.29Å; S444-Q446 PolarHBondContact O-N 3.41Å; Q446-F448 PolarHBondContact O-N 2.7Å; Q446-F448 VanDerWaalsContact O-N 3.11Å; Q446-N449 WeakPolarHBondContact O-CB 3.33Å; Q446-N449 PolarHBondContact O-N 2.75Å; Q446-Y452 HydrophobicContact CB-CE2 4.35Å; Q446-Y452 WeakPolarHBondContact O-CD2 3.31Å; Q446-Y452 WeakPolarHBondContact O-CE2 3.29Å |
| 447 | I | 80.5 | Confident | 79 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -52.4 | -38.2 | 179.7 | -74.4 | 165.4 | 0 | 0 | 0 | 111.9 | F401 L443 S444 F455 F484 I485 I488 | F401-I447 HydrophobicContact CD2-CG1 4.17Å; F401-I447 HydrophobicContact CE2-CB 4.3Å; F401-I447 HydrophobicContact CE2-CG1 3.68Å; L443-I447 HydrophobicContact CD1-CG1 4.35Å; L443-I447 HydrophobicContact CD2-CD1 4.4Å; L443-I447 HydrophobicContact CG-CD1 3.86Å; L443-I447 HydrophobicContact CG-CG1 4.19Å; L443-I447 WeakPolarHBondContact O-CB 3.46Å; L443-I447 VanDerWaalsContact O-CG1 3.23Å; L443-I447 WeakPolarHBondContact O-CG1 3.39Å; L443-I447 PolarHBondContact O-N 3.18Å; S444-I447 PolarHBondContact O-N 3.24Å; I447-F455 HydrophobicContact CG2-CE2 3.88Å; I447-F484 HydrophobicContact CG1-CE1 4.43Å; I447-I485 HydrophobicContact CB-CG1 4.45Å; I447-I485 HydrophobicContact CD1-CG1 4.36Å; I447-I485 HydrophobicContact CG1-CG1 4.1Å; I447-I485 HydrophobicContact CG2-CB 4.32Å; I447-I485 HydrophobicContact CG2-CD1 3.69Å; I447-I485 HydrophobicContact CG2-CG1 3.56Å; I447-I485 HydrophobicContact CG2-CG2 3.79Å; I447-I488 HydrophobicContact CD1-CB 4.21Å; I447-I488 HydrophobicContact CD1-CG1 4.25Å; I447-I488 HydrophobicContact CD1-CG2 3.8Å |
| 448 | F | 71.6 | Confident | 78.2 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 11.2 | -175.7 | -54.8 | -60 | 0 | 0 | 0 | 113.7 | S444 Q446 P450 F455 L465 A501 F503 | S444-F448 WeakPolarHBondContact O-CD2 2.75Å; S444-F448 PolarHBondContact O-N 2.82Å; Q446-F448 PolarHBondContact O-N 2.7Å; Q446-F448 VanDerWaalsContact O-N 3.11Å; F448-P450 VanDerWaalsContact O-CD 3.28Å; F448-P450 WeakPolarHBondContact O-CD 3.48Å; F448-F455 AromaticContact CD1-CD2 3.54Å; F448-F455 HydrophobicContact CD1-CD2 3.54Å; F448-F455 AromaticContact CD1-CE2 3.66Å; F448-F455 HydrophobicContact CD1-CE2 3.66Å; F448-F455 HydrophobicContact CD1-CG 4.01Å; F448-F455 HydrophobicContact CD1-CZ 4.26Å; F448-F455 AromaticContact CE1-CD2 3.97Å; F448-F455 HydrophobicContact CE1-CD2 3.97Å; F448-F455 HydrophobicContact CE1-CE1 4.37Å; F448-F455 AromaticContact CE1-CE2 3.59Å; F448-F455 HydrophobicContact CE1-CE2 3.59Å; F448-F455 HydrophobicContact CE1-CG 4.47Å; F448-F455 AromaticContact CE1-CZ 3.83Å; F448-F455 HydrophobicContact CE1-CZ 3.83Å; F448-L465 HydrophobicContact CB-CD1 3.47Å; F448-L465 VanDerWaalsContact CB-CD1 3.47Å; F448-L465 HydrophobicContact CB-CD2 4.42Å; F448-L465 HydrophobicContact CD1-CD1 3.6Å; F448-L465 HydrophobicContact CD2-CD1 4.2Å; F448-L465 HydrophobicContact CE1-CD1 4.45Å; F448-L465 HydrophobicContact CG-CD1 3.45Å; F448-L465 VanDerWaalsContact CG-CD1 3.45Å; F448-A501 HydrophobicContact CD2-CB 3.19Å; F448-A501 HydrophobicContact CE1-CB 4.32Å; F448-A501 HydrophobicContact CE2-CB 2.97Å; F448-A501 HydrophobicContact CG-CB 4.03Å; F448-A501 HydrophobicContact CZ-CB 3.6Å; F448-F503 HydrophobicContact CD1-CE1 4.2Å; F448-F503 AromaticContact CE1-CE1 3.36Å; F448-F503 HydrophobicContact CE1-CE1 3.36Å; F448-F503 HydrophobicContact CE1-CE2 4.44Å; F448-F503 AromaticContact CE1-CZ 3.33Å; F448-F503 HydrophobicContact CE1-CZ 3.33Å; F448-F503 HydrophobicContact CZ-CE1 4.01Å; F448-F503 HydrophobicContact CZ-CE2 4.29Å; F448-F503 AromaticContact CZ-CZ 3.51Å; F448-F503 HydrophobicContact CZ-CZ 3.51Å |
| 449 | N | 69.8 | Low | 76.9 | Confident | 40 Ų | 40 | 37.5 Ų | 37.5 | 21% | 0.214 | 19% | 0.187 | C | C | . | . | trans | -64.1 | 119.6 | 172.3 | -175.9 | -19.8 | 0 | 0 | 0 | 109.4 | H445 Q446 Y451 Y452 | H445-N449 PolarHBondContact O-N 3.17Å; Q446-N449 WeakPolarHBondContact O-CB 3.33Å; Q446-N449 PolarHBondContact O-N 2.75Å; N449-Y451 PolarHBondContact O-N 3.23Å; N449-Y451 WeakPolarHBondContact OD1-CB 3.21Å; N449-Y451 WeakPolarHBondContact OD1-CD2 3.39Å; N449-Y451 PolarHBondContact OD1-N 3.35Å; N449-Y452 HydrophobicContact CB-CD2 3.78Å; N449-Y452 HydrophobicContact CB-CE2 3.95Å; N449-Y452 PolarHBondContact O-N 3.48Å | ||
| 450 | P | 63.3 | Low | 75.1 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -55.2 | -24.7 | -179.5 | -26 | 34.5 | 0 | 0 | 0 | 113.6 | F448 Y452 G453 Y457 | F448-P450 VanDerWaalsContact O-CD 3.28Å; F448-P450 WeakPolarHBondContact O-CD 3.48Å; P450-Y452 PolarHBondContact O-N 2.81Å; P450-G453 PolarHBondContact O-N 3.33Å; P450-Y457 HydrophobicContact CG-CE2 3.75Å |
| 451 | Y | 64 | Low | 73.4 | Confident | 166 Ų | 166 | 42.8 Ų | 42.8 | 65% | 0.651 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -66.6 | -20.7 | 179.1 | -68.9 | -64.9 | 0 | 0 | 0 | 114.5 | L96 N449 G453 | L96-Y451 HydrophobicContact CD1-CD1 3.67Å; L96-Y451 HydrophobicContact CD1-CD2 3.36Å; L96-Y451 HydrophobicContact CD1-CE1 3.53Å; L96-Y451 HydrophobicContact CD1-CE2 3.22Å; L96-Y451 HydrophobicContact CD1-CG 3.6Å; L96-Y451 HydrophobicContact CD2-CE1 4.32Å; L96-Y451 HydrophobicContact CD2-CE2 3.97Å; L96-Y451 VanDerWaalsContact CD2-OH 3.27Å; L96-Y451 WeakPolarHBondContact CD2-OH 3.33Å; L96-Y451 HydrophobicContact CG-CE1 4.34Å; L96-Y451 HydrophobicContact CG-CE2 4.2Å; N449-Y451 PolarHBondContact O-N 3.23Å; N449-Y451 WeakPolarHBondContact OD1-CB 3.21Å; N449-Y451 WeakPolarHBondContact OD1-CD2 3.39Å; N449-Y451 PolarHBondContact OD1-N 3.35Å; Y451-G453 PolarHBondContact O-N 3.03Å |
| 452 | Y | 70.6 | Confident | 72.1 | Confident | 26 Ų | 26 | 48 Ų | 48 | 10% | 0.102 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -74.8 | -12.7 | 171.2 | -67.8 | -59.7 | 0 | 0 | 0 | 112.5 | L37 F401 E402 Q446 N449 P450 L454 | L37-Y452 HydrophobicContact CD1-CD1 4.07Å; L37-Y452 HydrophobicContact CD1-CE1 3.47Å; L37-Y452 VanDerWaalsContact CD1-CE1 3.47Å; L37-Y452 HydrophobicContact CD2-CD1 4.01Å; L37-Y452 HydrophobicContact CD2-CE1 4.26Å; L37-Y452 HydrophobicContact CG-CE1 4.44Å; F401-Y452 WeakPolarHBondContact CB-OH 3.46Å; F401-Y452 AromaticContact CD1-CE1 3.96Å; F401-Y452 HydrophobicContact CD1-CE1 3.96Å; F401-Y452 HydrophobicContact CD1-CE2 4.28Å; F401-Y452 AromaticContact CD1-CZ 3.73Å; F401-Y452 HydrophobicContact CD2-CE2 4.2Å; F401-Y452 HydrophobicContact CE1-CD1 4.37Å; F401-Y452 HydrophobicContact CE1-CE1 4.14Å; F401-Y452 HydrophobicContact CE2-CE2 4.45Å; F401-Y452 HydrophobicContact CG-CE2 4.11Å; F401-Y452 AromaticContact CG-CZ 3.83Å; E402-Y452 PolarHBondContact OE1-OH 3.49Å; Q446-Y452 HydrophobicContact CB-CE2 4.35Å; Q446-Y452 WeakPolarHBondContact O-CD2 3.31Å; Q446-Y452 WeakPolarHBondContact O-CE2 3.29Å; N449-Y452 HydrophobicContact CB-CD2 3.78Å; N449-Y452 HydrophobicContact CB-CE2 3.95Å; N449-Y452 PolarHBondContact O-N 3.48Å; P450-Y452 PolarHBondContact O-N 2.81Å; Y452-L454 PolarHBondContact O-N 3.26Å; Y452-L454 VanDerWaalsContact O-N 3.16Å |
| 453 | G | 72.9 | Confident | 71 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 9% | 0.093 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 65 | 14.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | P450 Y451 N468 S471 | P450-G453 PolarHBondContact O-N 3.33Å; Y451-G453 PolarHBondContact O-N 3.03Å; G453-N468 WeakPolarHBondContact O-CB 3.45Å; G453-N468 PolarHBondContact O-ND2 2.81Å; G453-S471 WeakPolarHBondContact O-CA 3.4Å; G453-S471 WeakPolarHBondContact O-CB 3.27Å |
| 454 | L | 80.4 | Confident | 70.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -84.6 | -36.8 | -179.6 | -60.7 | 175.5 | 0 | 0 | 0 | 111.8 | Y452 N468 H478 Y481 F482 I485 | Y452-L454 PolarHBondContact O-N 3.26Å; Y452-L454 VanDerWaalsContact O-N 3.16Å; L454-N468 PolarHBondContact O-N 3.48Å; L454-H478 HydrophobicContact CD2-CB 3.79Å; L454-Y481 HydrophobicContact CD1-CG 4.34Å; L454-F482 HydrophobicContact CB-CE1 3.91Å; L454-F482 HydrophobicContact CB-CZ 4.17Å; L454-F482 HydrophobicContact CD2-CE1 4.37Å; L454-F482 HydrophobicContact CD2-CE2 4.47Å; L454-F482 HydrophobicContact CD2-CZ 4.19Å; L454-F482 WeakPolarHBondContact O-CE1 3.31Å; L454-F482 VanDerWaalsContact O-CZ 3.3Å; L454-F482 WeakPolarHBondContact O-CZ 3.28Å; L454-I485 HydrophobicContact CD1-CD1 3.68Å |
| 455 | F | 79.9 | Confident | 69.5 | Low | 9 Ų | 9 | 55.9 Ų | 55.9 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156 | -179.8 | -58 | -81.5 | 0 | 0 | 0 | 110.5 | I447 F448 L465 Q466 I467 F482 I485 F503 | I447-F455 HydrophobicContact CG2-CE2 3.88Å; F448-F455 AromaticContact CD1-CD2 3.54Å; F448-F455 HydrophobicContact CD1-CD2 3.54Å; F448-F455 AromaticContact CD1-CE2 3.66Å; F448-F455 HydrophobicContact CD1-CE2 3.66Å; F448-F455 HydrophobicContact CD1-CG 4.01Å; F448-F455 HydrophobicContact CD1-CZ 4.26Å; F448-F455 AromaticContact CE1-CD2 3.97Å; F448-F455 HydrophobicContact CE1-CD2 3.97Å; F448-F455 HydrophobicContact CE1-CE1 4.37Å; F448-F455 AromaticContact CE1-CE2 3.59Å; F448-F455 HydrophobicContact CE1-CE2 3.59Å; F448-F455 HydrophobicContact CE1-CG 4.47Å; F448-F455 AromaticContact CE1-CZ 3.83Å; F448-F455 HydrophobicContact CE1-CZ 3.83Å; F455-L465 HydrophobicContact CB-CD2 4.33Å; F455-Q466 CarbonylContact C-O 3.56Å; F455-Q466 WeakPolarHBondContact CA-O 3.41Å; F455-Q466 WeakPolarHBondContact CB-O 3.39Å; F455-Q466 WeakPolarHBondContact CD1-O 3.49Å; F455-I467 HydrophobicContact CD1-CG1 4.45Å; F455-I467 HydrophobicContact CE1-CG1 4.12Å; F455-F482 HydrophobicContact CE1-CE1 4.15Å; F455-F482 HydrophobicContact CE2-CE1 4.42Å; F455-F482 HydrophobicContact CZ-CD1 4.22Å; F455-F482 AromaticContact CZ-CE1 3.99Å; F455-F482 HydrophobicContact CZ-CE1 3.99Å; F455-I485 HydrophobicContact CE2-CD1 3.66Å; F455-I485 HydrophobicContact CZ-CD1 4.06Å; F455-I485 HydrophobicContact CZ-CG2 4.33Å; F455-F503 HydrophobicContact CD1-CE1 4.01Å; F455-F503 HydrophobicContact CE1-CD1 4.3Å; F455-F503 AromaticContact CE1-CE1 3.49Å; F455-F503 HydrophobicContact CE1-CE1 3.49Å; F455-F503 VanDerWaalsContact CE1-CE1 3.49Å; F455-F503 HydrophobicContact CE1-CZ 4.32Å; F455-F503 AromaticContact CZ-CE1 3.89Å; F455-F503 HydrophobicContact CZ-CE1 3.89Å; F455-F503 HydrophobicContact CZ-CZ 4.34Å |
| 456 | E | 70.4 | Confident | 69.2 | Low | 66 Ų | 66 | 53.1 Ų | 53.1 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 160.3 | 170.3 | 63.4 | -173.3 | -163.4 | 0 | 0 | 109.7 | L465 Q466 | E456-L465 WeakPolarHBondContact O-CA 3.32Å; E456-Q466 HydrophobicContact CG-CG 3.53Å; E456-Q466 PolarHBondContact N-O 3.27Å; E456-Q466 PolarHBondContact O-N 3.01Å; E456-Q466 PolarHBondContact OE1-NE2 2.57Å |
| 457 | Y | 72 | Confident | 69.2 | Low | 112 Ų | 112 | 53.6 Ų | 53.6 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 145.9 | 171.2 | -66.4 | -72.5 | 0 | 0 | 0 | 109.6 | P450 N462 T464 L465 | P450-Y457 HydrophobicContact CG-CE2 3.75Å; Y457-N462 VanDerWaalsContact CD1-O 3.31Å; Y457-N462 WeakPolarHBondContact CD1-O 3.47Å; Y457-N462 WeakPolarHBondContact CE1-O 3.41Å; Y457-T464 WeakPolarHBondContact CA-O 3.12Å; Y457-L465 HydrophobicContact CD1-CD2 4.02Å; Y457-L465 HydrophobicContact CE1-CD2 4.08Å |
| 458 | S | 64.2 | Low | 68.9 | Low | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | trans | -59.3 | 153.9 | 167.8 | 82 | 0 | 0 | 0 | 0 | 110.2 | T460 D461 T464 | S458-T460 PolarHBondContact O-N 3.4Å; S458-T460 PolarHBondContact OG-N 3.12Å; S458-T460 PolarHBondContact OG-OG1 2.79Å; S458-D461 VanDerWaalsContact O-O 3.07Å; S458-D461 PolarHBondContact OG-N 3.43Å; S458-D461 VanDerWaalsContact OG-N 3.09Å; S458-D461 PolarHBondContact OG-O 3.19Å; S458-D461 PolarHBondContact OG-OD1 2.85Å; S458-T464 WeakPolarHBondContact CB-OG1 3.31Å; S458-T464 PolarHBondContact N-O 3Å; S458-T464 PolarHBondContact OG-OG1 3.01Å | ||
| 459 | A | 57.3 | Low | 69 | Low | 76 Ų | 76 | 57.8 Ų | 57.8 | 63% | 0.628 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -68 | -21.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V524 D525 | A459-V524 PolarHBondContact N-O 3.39Å; A459-V524 VanDerWaalsContact N-O 3.07Å; A459-D525 HydrophobicContact CB-CB 4.18Å |
| 460 | T | 53.2 | Low | 69.1 | Low | 55 Ų | 55 | 57.9 Ų | 57.9 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -82.9 | -31 | -174.8 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | S458 E522 S523 N526 | S458-T460 PolarHBondContact O-N 3.4Å; S458-T460 PolarHBondContact OG-N 3.12Å; S458-T460 PolarHBondContact OG-OG1 2.79Å; T460-E522 VanDerWaalsContact CG2-O 3.3Å; T460-E522 WeakPolarHBondContact CG2-O 3.36Å; T460-S523 PolarHBondContact OG1-O 2.97Å; T460-N526 HydrophobicContact CG2-CB 3.72Å; T460-N526 VanDerWaalsContact CG2-N 3.26Å |
| 461 | D | 57.3 | Low | 69.9 | Low | 57 Ų | 57 | 55.4 Ų | 55.4 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | trans | -153.4 | 153.1 | 178.5 | 67.6 | 34.3 | 0 | 0 | 0 | 112.5 | S458 Y463 T464 | S458-D461 VanDerWaalsContact O-O 3.07Å; S458-D461 PolarHBondContact OG-N 3.43Å; S458-D461 VanDerWaalsContact OG-N 3.09Å; S458-D461 PolarHBondContact OG-O 3.19Å; S458-D461 PolarHBondContact OG-OD1 2.85Å; D461-Y463 HydrophobicContact CB-CD2 4.31Å; D461-Y463 PolarHBondContact O-N 3.31Å; D461-Y463 PolarHBondContact OD1-N 3.47Å; D461-T464 VanDerWaalsContact OD1-CB 3.32Å; D461-T464 WeakPolarHBondContact OD1-CB 3.33Å; D461-T464 WeakPolarHBondContact OD1-CG2 3.16Å; D461-T464 PolarHBondContact OD1-N 3.29Å; D461-T464 PolarHBondContact OD1-OG1 3.49Å | ||
| 462 | N | 58.2 | Low | 70.5 | Confident | 128 Ų | 128 | 53.8 Ų | 53.8 | 68% | 0.684 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -81.8 | 17.6 | 177 | -65.1 | -22.7 | 0 | 0 | 0 | 112.6 | Y457 | Y457-N462 VanDerWaalsContact CD1-O 3.31Å; Y457-N462 WeakPolarHBondContact CD1-O 3.47Å; Y457-N462 WeakPolarHBondContact CE1-O 3.41Å |
| 463 | Y | 65.7 | Low | 70.7 | Confident | 176 Ų | 176 | 55.6 Ų | 55.6 | 69% | 0.69 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -121.2 | -29.1 | -170.7 | -62.4 | -73.6 | 0 | 0 | 0 | 113.6 | D461 | D461-Y463 HydrophobicContact CB-CD2 4.31Å; D461-Y463 PolarHBondContact O-N 3.31Å; D461-Y463 PolarHBondContact OD1-N 3.47Å |
| 464 | T | 70.2 | Confident | 70.6 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 14% | 0.141 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 146.9 | 178.7 | 64 | 0 | 0 | 0 | 0 | 111.1 | Y457 S458 D461 F502 | Y457-T464 WeakPolarHBondContact CA-O 3.12Å; S458-T464 WeakPolarHBondContact CB-OG1 3.31Å; S458-T464 PolarHBondContact N-O 3Å; S458-T464 PolarHBondContact OG-OG1 3.01Å; D461-T464 VanDerWaalsContact OD1-CB 3.32Å; D461-T464 WeakPolarHBondContact OD1-CB 3.33Å; D461-T464 WeakPolarHBondContact OD1-CG2 3.16Å; D461-T464 PolarHBondContact OD1-N 3.29Å; D461-T464 PolarHBondContact OD1-OG1 3.49Å; T464-F502 CarbonylContact C-O 3.56Å; T464-F502 WeakPolarHBondContact CA-O 3.48Å; T464-F502 HydrophobicContact CG2-CB 4.26Å |
| 465 | L | 75.2 | Confident | 70.1 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 143.8 | -169.8 | -65.2 | 155.6 | 0 | 0 | 0 | 111.2 | F448 F455 E456 Y457 A501 F502 F503 I504 | F448-L465 HydrophobicContact CB-CD1 3.47Å; F448-L465 VanDerWaalsContact CB-CD1 3.47Å; F448-L465 HydrophobicContact CB-CD2 4.42Å; F448-L465 HydrophobicContact CD1-CD1 3.6Å; F448-L465 HydrophobicContact CD2-CD1 4.2Å; F448-L465 HydrophobicContact CE1-CD1 4.45Å; F448-L465 HydrophobicContact CG-CD1 3.45Å; F448-L465 VanDerWaalsContact CG-CD1 3.45Å; F455-L465 HydrophobicContact CB-CD2 4.33Å; E456-L465 WeakPolarHBondContact O-CA 3.32Å; Y457-L465 HydrophobicContact CD1-CD2 4.02Å; Y457-L465 HydrophobicContact CE1-CD2 4.08Å; L465-A501 HydrophobicContact CD1-CB 4.37Å; L465-F502 PolarHBondContact N-O 2.93Å; L465-F503 HydrophobicContact CB-CD1 4.31Å; L465-F503 CarbonylContact O-C 3.54Å; L465-F503 VanDerWaalsContact O-CA 3.26Å; L465-F503 WeakPolarHBondContact O-CA 3.47Å; L465-I504 PolarHBondContact O-N 2.85Å |
| 466 | Q | 74.8 | Confident | 70.1 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.9 | 171.3 | 69 | -177 | 2.2 | 0 | 0 | 111.4 | F455 E456 N468 I504 V524 | F455-Q466 CarbonylContact C-O 3.56Å; F455-Q466 WeakPolarHBondContact CA-O 3.41Å; F455-Q466 WeakPolarHBondContact CB-O 3.39Å; F455-Q466 WeakPolarHBondContact CD1-O 3.49Å; E456-Q466 HydrophobicContact CG-CG 3.53Å; E456-Q466 PolarHBondContact N-O 3.27Å; E456-Q466 PolarHBondContact O-N 3.01Å; E456-Q466 PolarHBondContact OE1-NE2 2.57Å; Q466-N468 PolarHBondContact O-N 2.79Å; Q466-I504 HydrophobicContact CB-CD1 3.54Å; Q466-I504 HydrophobicContact CB-CG1 3.91Å; Q466-I504 HydrophobicContact CB-CG2 4.3Å; Q466-V524 VanDerWaalsContact OE1-CG1 3.26Å |
| 467 | I | 81.8 | Confident | 70.5 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 33% | 0.333 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 130.2 | 173.8 | -72.7 | 178.7 | 0 | 0 | 0 | 107.7 | F455 P469 F482 F507 | F455-I467 HydrophobicContact CD1-CG1 4.45Å; F455-I467 HydrophobicContact CE1-CG1 4.12Å; I467-P469 VanDerWaalsContact O-CD 3.24Å; I467-P469 WeakPolarHBondContact O-CD 3.44Å; I467-F482 HydrophobicContact CG1-CE1 4.18Å; I467-F482 HydrophobicContact CG1-CZ 4.41Å; I467-F482 HydrophobicContact CG2-CE1 4.45Å; I467-F482 HydrophobicContact CG2-CE2 4.44Å; I467-F482 HydrophobicContact CG2-CZ 3.86Å; I467-F507 HydrophobicContact CD1-CD2 4.39Å; I467-F507 HydrophobicContact CD1-CE2 3.6Å; I467-F507 HydrophobicContact CD1-CZ 4.42Å; I467-F507 HydrophobicContact CG1-CD2 4.44Å; I467-F507 HydrophobicContact CG1-CE2 3.86Å |
| 468 | N | 74.2 | Confident | 71 | Confident | 16 Ų | 16 | 61 Ų | 61 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | trans | -67 | 114.5 | 167.9 | 173.6 | 4.4 | 0 | 0 | 0 | 108.4 | G453 L454 Q466 H470 S471 | G453-N468 WeakPolarHBondContact O-CB 3.45Å; G453-N468 PolarHBondContact O-ND2 2.81Å; L454-N468 PolarHBondContact O-N 3.48Å; Q466-N468 PolarHBondContact O-N 2.79Å; N468-H470 PolarHBondContact O-N 3.15Å; N468-H470 VanDerWaalsContact O-N 3.14Å; N468-H470 WeakPolarHBondContact OD1-CA 3.49Å; N468-H470 WeakPolarHBondContact OD1-CB 3.46Å; N468-H470 PolarHBondContact OD1-N 2.92Å; N468-S471 WeakPolarHBondContact O-CB 3.41Å; N468-S471 PolarHBondContact O-N 2.92Å; N468-S471 PolarHBondContact O-OG 2.77Å | ||
| 469 | P | 73.2 | Confident | 72.1 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.3 | 179.4 | 25 | -33 | 0 | 0 | 0 | 112.2 | I467 | I467-P469 VanDerWaalsContact O-CD 3.24Å; I467-P469 WeakPolarHBondContact O-CD 3.44Å |
| 470 | H | 72.8 | Confident | 73.8 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 20% | 0.199 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 16 | 178 | -46.8 | -53.4 | 0 | 0 | 0 | 113.7 | N468 E472 A473 C474 D551 I553 | N468-H470 PolarHBondContact O-N 3.15Å; N468-H470 VanDerWaalsContact O-N 3.14Å; N468-H470 WeakPolarHBondContact OD1-CA 3.49Å; N468-H470 WeakPolarHBondContact OD1-CB 3.46Å; N468-H470 PolarHBondContact OD1-N 2.92Å; H470-E472 PolarHBondContact O-N 2.72Å; H470-E472 VanDerWaalsContact O-N 3.1Å; H470-A473 WeakPolarHBondContact O-CB 3.2Å; H470-A473 PolarHBondContact O-N 2.89Å; H470-C474 PolarHBondContact O-N 2.78Å; H470-D551 IonicContact CE1-OD2 3.79Å; H470-D551 PolarHBondContact CE1-OD2 3.31Å; H470-D551 VanDerWaalsContact CE1-OD2 3.32Å; H470-D551 IonicContact NE2-OD1 3.25Å; H470-D551 IonicContact NE2-OD2 3.32Å; H470-I553 HydrophobicContact CB-CG2 4.49Å; H470-I553 WeakPolarHBondContact CE1-CD1 3.43Å; H470-I553 WeakPolarHBondContact CE1-CG1 3.47Å |
| 471 | S | 78.9 | Confident | 75.5 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.028 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.8 | -31.1 | -179.6 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | G453 N468 C474 N475 H478 F482 | G453-S471 WeakPolarHBondContact O-CA 3.4Å; G453-S471 WeakPolarHBondContact O-CB 3.27Å; N468-S471 WeakPolarHBondContact O-CB 3.41Å; N468-S471 PolarHBondContact O-N 2.92Å; N468-S471 PolarHBondContact O-OG 2.77Å; S471-C474 PolarHBondContact O-N 2.87Å; S471-N475 PolarHBondContact O-N 2.89Å; S471-H478 WeakPolarHBondContact CB-ND1 3.35Å; S471-H478 PolarHBondContact OG-ND1 2.91Å; S471-F482 WeakPolarHBondContact OG-CE2 3.09Å |
| 472 | E | 77.9 | Confident | 77 | Confident | 133 Ų | 133 | 61.2 Ų | 61.2 | 62% | 0.621 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 175.4 | -173.2 | 172.9 | -171.1 | 0 | 0 | 112.2 | H470 C474 N475 H478 | H470-E472 PolarHBondContact O-N 2.72Å; H470-E472 VanDerWaalsContact O-N 3.1Å; E472-C474 VanDerWaalsContact C-N 3.32Å; E472-C474 PolarHBondContact O-N 2.64Å; E472-N475 CarbonylContact O-C 3.49Å; E472-N475 VanDerWaalsContact O-C 3.22Å; E472-N475 PolarHBondContact O-N 2.86Å; E472-H478 PolarHBondContact N-ND1 3.11Å |
| 473 | A | 74.5 | Confident | 78.7 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 52% | 0.521 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.9 | -30.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H470 F554 | H470-A473 WeakPolarHBondContact O-CB 3.2Å; H470-A473 PolarHBondContact O-N 2.89Å; A473-F554 HydrophobicContact CB-CE2 3.38Å; A473-F554 HydrophobicContact CB-CZ 3.72Å |
| 474 | C | 71 | Confident | 80 | Confident | 54 Ų | 54 | 51.9 Ų | 51.9 | 37% | 0.365 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.4 | -43 | 171.9 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | H470 S471 E472 | H470-C474 PolarHBondContact O-N 2.78Å; S471-C474 PolarHBondContact O-N 2.87Å; E472-C474 VanDerWaalsContact C-N 3.32Å; E472-C474 PolarHBondContact O-N 2.64Å |
| 475 | N | 70.2 | Confident | 81 | Confident | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | trans | -146.8 | 108.6 | -172.9 | -179.2 | 1.2 | 0 | 0 | 0 | 111.6 | S471 E472 E477 H478 Y481 | S471-N475 PolarHBondContact O-N 2.89Å; E472-N475 CarbonylContact O-C 3.49Å; E472-N475 VanDerWaalsContact O-C 3.22Å; E472-N475 PolarHBondContact O-N 2.86Å; N475-E477 PolarHBondContact O-N 2.92Å; N475-E477 VanDerWaalsContact O-N 3.09Å; N475-E477 PolarHBondContact OD1-N 3.13Å; N475-H478 HydrophobicContact CB-CB 4.32Å; N475-H478 WeakPolarHBondContact O-CB 2.72Å; N475-H478 PolarHBondContact O-N 3.18Å; N475-Y481 WeakPolarHBondContact ND2-CD2 3.38Å; N475-Y481 WeakPolarHBondContact ND2-CE2 3.24Å | ||
| 476 | P | 78.8 | Confident | 81.8 | Confident | 107 Ų | 107 | 52.4 Ų | 52.4 | 70% | 0.695 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.2 | 178.3 | -25.4 | 34.6 | 0 | 0 | 0 | 114.7 | H478 | P476-H478 VanDerWaalsContact C-N 3.34Š|
| 477 | E | 80.3 | Confident | 82.8 | Confident | 118 Ų | 118 | 52.6 Ų | 52.6 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 9.7 | 178.6 | -62.2 | -71 | 148.3 | 0 | 0 | 112.1 | N475 L479 S480 Y481 | N475-E477 PolarHBondContact O-N 2.92Å; N475-E477 VanDerWaalsContact O-N 3.09Å; N475-E477 PolarHBondContact OD1-N 3.13Å; E477-L479 PolarHBondContact O-N 3.3Å; E477-S480 WeakPolarHBondContact O-CB 2.91Å; E477-S480 PolarHBondContact O-N 2.86Å; E477-Y481 HydrophobicContact CB-CD2 4.2Å; E477-Y481 HydrophobicContact CB-CE2 3.92Å; E477-Y481 VanDerWaalsContact O-CD2 3.32Å; E477-Y481 WeakPolarHBondContact O-CD2 3.15Å; E477-Y481 PolarHBondContact O-N 3.07Å |
| 478 | H | 81.6 | Confident | 83.4 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -49.3 | -37.4 | -175.1 | 71.2 | 142.9 | 0 | 0 | 0 | 113.5 | L454 S471 E472 N475 P476 S480 Y481 F482 | L454-H478 HydrophobicContact CD2-CB 3.79Å; S471-H478 WeakPolarHBondContact CB-ND1 3.35Å; S471-H478 PolarHBondContact OG-ND1 2.91Å; E472-H478 PolarHBondContact N-ND1 3.11Å; N475-H478 HydrophobicContact CB-CB 4.32Å; N475-H478 WeakPolarHBondContact O-CB 2.72Å; N475-H478 PolarHBondContact O-N 3.18Å; P476-H478 VanDerWaalsContact C-N 3.34Å; H478-S480 VanDerWaalsContact C-N 3.33Å; H478-S480 PolarHBondContact O-N 2.86Å; H478-Y481 CarbonylContact O-C 3.59Å; H478-Y481 WeakPolarHBondContact O-CA 3.48Å; H478-Y481 WeakPolarHBondContact O-CB 3.27Å; H478-Y481 PolarHBondContact O-N 3.14Å; H478-Y481 VanDerWaalsContact O-N 3.1Å; H478-F482 HydrophobicContact CB-CD2 4.37Å; H478-F482 HydrophobicContact CB-CE2 4.06Å; H478-F482 AromaticContact ND1-CE2 3.57Å; H478-F482 WeakPolarHBondContact O-CD2 3.24Å; H478-F482 WeakPolarHBondContact O-CG 3.31Å; H478-F482 PolarHBondContact O-N 2.8Å |
| 479 | L | 87.9 | Confident | 84.2 | Confident | 122 Ų | 122 | 49.5 Ų | 49.5 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.1 | -38.7 | 177.4 | -62.1 | -175.4 | 0 | 0 | 0 | 112.6 | E477 Y481 F482 H483 | E477-L479 PolarHBondContact O-N 3.3Å; L479-Y481 VanDerWaalsContact C-N 3.31Å; L479-F482 HydrophobicContact CD2-CD2 4.49Å; L479-F482 PolarHBondContact O-N 2.73Å; L479-H483 WeakPolarHBondContact O-CB 3.22Å; L479-H483 PolarHBondContact O-N 2.69Å |
| 480 | S | 91.5 | Very high | 85.1 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -36 | 175.7 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | Y405 E477 H478 H483 F484 | Y405-S480 PolarHBondContact OH-OG 3.18Å; E477-S480 WeakPolarHBondContact O-CB 2.91Å; E477-S480 PolarHBondContact O-N 2.86Å; H478-S480 VanDerWaalsContact C-N 3.33Å; H478-S480 PolarHBondContact O-N 2.86Å; S480-H483 WeakPolarHBondContact O-CB 3.24Å; S480-H483 PolarHBondContact O-N 2.84Å; S480-F484 WeakPolarHBondContact O-CB 3.47Å; S480-F484 PolarHBondContact O-N 3.3Å |
| 481 | Y | 89.5 | Confident | 86.1 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 173.4 | -72.4 | -75.2 | 0 | 0 | 0 | 112.5 | L36 L37 F401 Y405 L454 N475 E477 H478 L479 H483 F484 I485 | L36-Y481 PolarHBondContact O-OH 3.35Å; L37-Y481 HydrophobicContact CD2-CD1 4.22Å; L37-Y481 HydrophobicContact CD2-CD2 4.35Å; L37-Y481 HydrophobicContact CD2-CE1 3.47Å; L37-Y481 VanDerWaalsContact CD2-CE1 3.47Å; L37-Y481 HydrophobicContact CD2-CE2 3.62Å; L37-Y481 WeakPolarHBondContact CD2-OH 3.41Å; L37-Y481 HydrophobicContact CG-CE1 4.19Å; L37-Y481 VanDerWaalsContact CG-OH 3.25Å; L37-Y481 WeakPolarHBondContact CG-OH 3.37Å; F401-Y481 AromaticContact CE1-CD1 3.65Å; F401-Y481 HydrophobicContact CE1-CD1 3.65Å; F401-Y481 AromaticContact CE1-CE1 3.62Å; F401-Y481 HydrophobicContact CE1-CE1 3.62Å; F401-Y481 AromaticContact CZ-CD1 3.81Å; F401-Y481 HydrophobicContact CZ-CD1 3.81Å; F401-Y481 HydrophobicContact CZ-CE1 4.26Å; Y405-Y481 HydrophobicContact CD1-CE1 4.48Å; Y405-Y481 AromaticContact CD2-CD1 3.71Å; Y405-Y481 HydrophobicContact CD2-CD1 3.71Å; Y405-Y481 AromaticContact CD2-CE1 3.53Å; Y405-Y481 HydrophobicContact CD2-CE1 3.53Å; Y405-Y481 AromaticContact CE2-CD1 3.75Å; Y405-Y481 HydrophobicContact CE2-CD1 3.75Å; Y405-Y481 AromaticContact CE2-CE1 3.64Å; Y405-Y481 HydrophobicContact CE2-CE1 3.64Å; Y405-Y481 HydrophobicContact CE2-CG 4.32Å; Y405-Y481 AromaticContact CG-CE1 3.98Å; Y405-Y481 HydrophobicContact CG-CE1 3.98Å; L454-Y481 HydrophobicContact CD1-CG 4.34Å; N475-Y481 WeakPolarHBondContact ND2-CD2 3.38Å; N475-Y481 WeakPolarHBondContact ND2-CE2 3.24Å; E477-Y481 HydrophobicContact CB-CD2 4.2Å; E477-Y481 HydrophobicContact CB-CE2 3.92Å; E477-Y481 VanDerWaalsContact O-CD2 3.32Å; E477-Y481 WeakPolarHBondContact O-CD2 3.15Å; E477-Y481 PolarHBondContact O-N 3.07Å; H478-Y481 CarbonylContact O-C 3.59Å; H478-Y481 WeakPolarHBondContact O-CA 3.48Å; H478-Y481 WeakPolarHBondContact O-CB 3.27Å; H478-Y481 PolarHBondContact O-N 3.14Å; H478-Y481 VanDerWaalsContact O-N 3.1Å; L479-Y481 VanDerWaalsContact C-N 3.31Å; Y481-H483 VanDerWaalsContact C-N 3.25Å; Y481-H483 PolarHBondContact O-N 2.78Å; Y481-F484 WeakPolarHBondContact O-CB 3.46Å; Y481-F484 PolarHBondContact O-N 3.25Å; Y481-F484 VanDerWaalsContact O-N 3.15Å; Y481-I485 WeakPolarHBondContact O-CD1 3.22Å; Y481-I485 WeakPolarHBondContact O-CG1 3.44Å; Y481-I485 PolarHBondContact O-N 3.15Å |
| 482 | F | 89.9 | Confident | 86.7 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 18% | 0.18 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -38 | 172.2 | -70.6 | -51.8 | 0 | 0 | 0 | 111.6 | L454 F455 I467 S471 H478 L479 I485 G486 | L454-F482 HydrophobicContact CB-CE1 3.91Å; L454-F482 HydrophobicContact CB-CZ 4.17Å; L454-F482 HydrophobicContact CD2-CE1 4.37Å; L454-F482 HydrophobicContact CD2-CE2 4.47Å; L454-F482 HydrophobicContact CD2-CZ 4.19Å; L454-F482 WeakPolarHBondContact O-CE1 3.31Å; L454-F482 VanDerWaalsContact O-CZ 3.3Å; L454-F482 WeakPolarHBondContact O-CZ 3.28Å; F455-F482 HydrophobicContact CE1-CE1 4.15Å; F455-F482 HydrophobicContact CE2-CE1 4.42Å; F455-F482 HydrophobicContact CZ-CD1 4.22Å; F455-F482 AromaticContact CZ-CE1 3.99Å; F455-F482 HydrophobicContact CZ-CE1 3.99Å; I467-F482 HydrophobicContact CG1-CE1 4.18Å; I467-F482 HydrophobicContact CG1-CZ 4.41Å; I467-F482 HydrophobicContact CG2-CE1 4.45Å; I467-F482 HydrophobicContact CG2-CE2 4.44Å; I467-F482 HydrophobicContact CG2-CZ 3.86Å; S471-F482 WeakPolarHBondContact OG-CE2 3.09Å; H478-F482 HydrophobicContact CB-CD2 4.37Å; H478-F482 HydrophobicContact CB-CE2 4.06Å; H478-F482 AromaticContact ND1-CE2 3.57Å; H478-F482 WeakPolarHBondContact O-CD2 3.24Å; H478-F482 WeakPolarHBondContact O-CG 3.31Å; H478-F482 PolarHBondContact O-N 2.8Å; L479-F482 HydrophobicContact CD2-CD2 4.49Å; L479-F482 PolarHBondContact O-N 2.73Å; F482-I485 HydrophobicContact CD1-CD1 4.35Å; F482-I485 PolarHBondContact O-N 2.64Å; F482-G486 PolarHBondContact O-N 3.48Å |
| 483 | H | 92.1 | Very high | 87.3 | Confident | 109 Ų | 109 | 40.8 Ų | 40.8 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 172.5 | -174.2 | 77.4 | 0 | 0 | 0 | 111.6 | L479 S480 Y481 I485 G486 R487 | L479-H483 WeakPolarHBondContact O-CB 3.22Å; L479-H483 PolarHBondContact O-N 2.69Å; S480-H483 WeakPolarHBondContact O-CB 3.24Å; S480-H483 PolarHBondContact O-N 2.84Å; Y481-H483 VanDerWaalsContact C-N 3.25Å; Y481-H483 PolarHBondContact O-N 2.78Å; H483-I485 PolarHBondContact O-N 3.04Å; H483-G486 PolarHBondContact O-N 2.64Å; H483-R487 WeakPolarHBondContact O-CG 3.29Å; H483-R487 PolarHBondContact O-N 3.23Å |
| 484 | F | 94 | Very high | 88.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.4 | -47.3 | 174 | 161.5 | -109.6 | 0 | 0 | 0 | 112.3 | F401 Y405 I408 M409 L443 I447 S480 Y481 G486 R487 I488 | F401-F484 HydrophobicContact CD2-CE1 4.26Å; F401-F484 HydrophobicContact CE2-CD1 4.41Å; F401-F484 AromaticContact CE2-CE1 3.76Å; F401-F484 HydrophobicContact CE2-CE1 3.76Å; F401-F484 HydrophobicContact CZ-CD1 4.28Å; F401-F484 HydrophobicContact CZ-CE1 4Å; Y405-F484 VanDerWaalsContact CA-CE2 3.41Å; Y405-F484 HydrophobicContact CD2-CB 3.65Å; Y405-F484 AromaticContact CD2-CD1 3.91Å; Y405-F484 HydrophobicContact CD2-CD1 3.91Å; Y405-F484 HydrophobicContact CD2-CD2 4.06Å; Y405-F484 AromaticContact CD2-CG 3.6Å; Y405-F484 HydrophobicContact CD2-CG 3.6Å; Y405-F484 HydrophobicContact CE2-CB 3.9Å; Y405-F484 HydrophobicContact CE2-CG 4.36Å; Y405-F484 HydrophobicContact CG-CG 4.48Å; I408-F484 HydrophobicContact CB-CD2 4.01Å; I408-F484 HydrophobicContact CB-CE2 3.97Å; I408-F484 HydrophobicContact CD1-CD2 4.3Å; I408-F484 HydrophobicContact CD1-CE2 3.55Å; I408-F484 HydrophobicContact CD1-CZ 4.45Å; I408-F484 HydrophobicContact CG1-CE2 4.34Å; I408-F484 HydrophobicContact CG2-CD2 3.95Å; I408-F484 HydrophobicContact CG2-CE2 4.29Å; M409-F484 HydrophobicContact CG-CB 4.31Å; M409-F484 HydrophobicContact SD-CB 3.93Å; L443-F484 HydrophobicContact CD1-CZ 4.26Å; L443-F484 HydrophobicContact CD2-CZ 4.1Å; I447-F484 HydrophobicContact CG1-CE1 4.43Å; S480-F484 WeakPolarHBondContact O-CB 3.47Å; S480-F484 PolarHBondContact O-N 3.3Å; Y481-F484 WeakPolarHBondContact O-CB 3.46Å; Y481-F484 PolarHBondContact O-N 3.25Å; Y481-F484 VanDerWaalsContact O-N 3.15Å; F484-G486 VanDerWaalsContact C-N 3.35Å; F484-G486 PolarHBondContact O-N 3.44Å; F484-R487 WeakPolarHBondContact O-CB 3.42Å; F484-R487 PolarHBondContact O-N 2.75Å; F484-R487 VanDerWaalsContact O-N 3.11Å; F484-I488 HydrophobicContact CD2-CG1 4.31Å; F484-I488 HydrophobicContact CE1-CG1 4.38Å; F484-I488 HydrophobicContact CE2-CD1 4.1Å; F484-I488 HydrophobicContact CE2-CG1 3.83Å; F484-I488 HydrophobicContact CZ-CD1 4.28Å; F484-I488 HydrophobicContact CZ-CG1 3.88Å; F484-I488 PolarHBondContact O-N 2.95Å |
| 485 | I | 91.7 | Very high | 89 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 178.1 | -65.9 | 158.9 | 0 | 0 | 0 | 110.6 | I447 L454 F455 Y481 F482 H483 R487 I488 I489 | I447-I485 HydrophobicContact CB-CG1 4.45Å; I447-I485 HydrophobicContact CD1-CG1 4.36Å; I447-I485 HydrophobicContact CG1-CG1 4.1Å; I447-I485 HydrophobicContact CG2-CB 4.32Å; I447-I485 HydrophobicContact CG2-CD1 3.69Å; I447-I485 HydrophobicContact CG2-CG1 3.56Å; I447-I485 HydrophobicContact CG2-CG2 3.79Å; L454-I485 HydrophobicContact CD1-CD1 3.68Å; F455-I485 HydrophobicContact CE2-CD1 3.66Å; F455-I485 HydrophobicContact CZ-CD1 4.06Å; F455-I485 HydrophobicContact CZ-CG2 4.33Å; Y481-I485 WeakPolarHBondContact O-CD1 3.22Å; Y481-I485 WeakPolarHBondContact O-CG1 3.44Å; Y481-I485 PolarHBondContact O-N 3.15Å; F482-I485 HydrophobicContact CD1-CD1 4.35Å; F482-I485 PolarHBondContact O-N 2.64Å; H483-I485 PolarHBondContact O-N 3.04Å; I485-R487 VanDerWaalsContact C-N 3.27Å; I485-R487 PolarHBondContact O-N 2.81Å; I485-I488 WeakPolarHBondContact O-CB 3.42Å; I485-I488 PolarHBondContact O-N 2.96Å; I485-I488 VanDerWaalsContact O-N 3.11Å; I485-I489 HydrophobicContact CG2-CD1 3.9Å; I485-I489 HydrophobicContact CG2-CG1 4.45Å; I485-I489 WeakPolarHBondContact O-CG1 3.11Å; I485-I489 PolarHBondContact O-N 2.67Å |
| 486 | G | 92.2 | Very high | 89.7 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.8 | -38.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F482 H483 F484 I489 G490 | F482-G486 PolarHBondContact O-N 3.48Å; H483-G486 PolarHBondContact O-N 2.64Å; F484-G486 VanDerWaalsContact C-N 3.35Å; F484-G486 PolarHBondContact O-N 3.44Å; G486-I489 PolarHBondContact O-N 2.94Å; G486-G490 PolarHBondContact O-N 2.81Å |
| 487 | R | 94.5 | Very high | 90.1 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -41.1 | 173.1 | -65.5 | -173.7 | 87.2 | -170.2 | 5.4 | 111.9 | I408 K411 D413 L416 H483 F484 I485 G490 M491 | I408-R487 HydrophobicContact CG2-CB 3.99Å; I408-R487 PolarHBondContact O-NH1 3.5Å; K411-R487 PolarHBondContact O-NH1 2.74Å; K411-R487 VanDerWaalsContact O-NH1 3.11Å; K411-R487 PolarHBondContact O-NH2 2.62Å; D413-R487 IonicContact OD1-CZ 3.86Å; D413-R487 IonicContact OD1-NE 3.44Å; D413-R487 IonicContact OD1-NH2 3.55Å; D413-R487 PolarHBondContact OD1-NH2 2.85Å; L416-R487 VanDerWaalsContact CD1-CZ 3.46Å; H483-R487 WeakPolarHBondContact O-CG 3.29Å; H483-R487 PolarHBondContact O-N 3.23Å; F484-R487 WeakPolarHBondContact O-CB 3.42Å; F484-R487 PolarHBondContact O-N 2.75Å; F484-R487 VanDerWaalsContact O-N 3.11Å; I485-R487 VanDerWaalsContact C-N 3.27Å; I485-R487 PolarHBondContact O-N 2.81Å; R487-G490 PolarHBondContact O-N 3.08Å; R487-M491 WeakPolarHBondContact O-CB 3.35Å; R487-M491 VanDerWaalsContact O-CG 3.24Å; R487-M491 WeakPolarHBondContact O-CG 3.47Å; R487-M491 PolarHBondContact O-N 3.13Å |
| 488 | I | 94.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 173.7 | -71 | -65.2 | 0 | 0 | 0 | 111.3 | I408 W439 F440 L443 I447 F484 I485 G490 M491 A492 L499 | I408-I488 HydrophobicContact CD1-CD1 3.13Å; I408-I488 HydrophobicContact CD1-CG1 4.08Å; W439-I488 HydrophobicContact CH2-CD1 3.48Å; W439-I488 VanDerWaalsContact CH2-CD1 3.48Å; W439-I488 HydrophobicContact CZ2-CD1 4.03Å; W439-I488 HydrophobicContact CZ3-CD1 4.33Å; F440-I488 HydrophobicContact CD1-CG2 4.3Å; F440-I488 HydrophobicContact CE1-CG2 4.23Å; L443-I488 HydrophobicContact CD2-CD1 3.38Å; L443-I488 HydrophobicContact CD2-CG1 3.9Å; L443-I488 HydrophobicContact CD2-CG2 4.47Å; I447-I488 HydrophobicContact CD1-CB 4.21Å; I447-I488 HydrophobicContact CD1-CG1 4.25Å; I447-I488 HydrophobicContact CD1-CG2 3.8Å; F484-I488 HydrophobicContact CD2-CG1 4.31Å; F484-I488 HydrophobicContact CE1-CG1 4.38Å; F484-I488 HydrophobicContact CE2-CD1 4.1Å; F484-I488 HydrophobicContact CE2-CG1 3.83Å; F484-I488 HydrophobicContact CZ-CD1 4.28Å; F484-I488 HydrophobicContact CZ-CG1 3.88Å; F484-I488 PolarHBondContact O-N 2.95Å; I485-I488 WeakPolarHBondContact O-CB 3.42Å; I485-I488 PolarHBondContact O-N 2.96Å; I485-I488 VanDerWaalsContact O-N 3.11Å; I488-G490 VanDerWaalsContact C-N 3.34Å; I488-G490 PolarHBondContact O-N 3.42Å; I488-M491 HydrophobicContact CD1-SD 4.5Å; I488-M491 WeakPolarHBondContact O-CB 3.41Å; I488-M491 PolarHBondContact O-N 2.71Å; I488-A492 WeakPolarHBondContact O-CB 3.17Å; I488-A492 PolarHBondContact O-N 3.43Å; I488-L499 HydrophobicContact CG2-CD1 4.47Å; I488-L499 HydrophobicContact CG2-CD2 4.03Å |
| 489 | I | 91.9 | Very high | 90.5 | Very high | 16 Ų | 16 | 32 Ų | 32 | 8% | 0.082 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 176 | -68.6 | 165.6 | 0 | 0 | 0 | 110.4 | I485 G486 M491 A492 I493 L499 F503 M601 | I485-I489 HydrophobicContact CG2-CD1 3.9Å; I485-I489 HydrophobicContact CG2-CG1 4.45Å; I485-I489 WeakPolarHBondContact O-CG1 3.11Å; I485-I489 PolarHBondContact O-N 2.67Å; G486-I489 PolarHBondContact O-N 2.94Å; I489-M491 VanDerWaalsContact C-N 3.34Å; I489-M491 PolarHBondContact O-N 3.31Å; I489-A492 PolarHBondContact O-N 2.74Å; I489-I493 HydrophobicContact CG2-CD1 3.96Å; I489-I493 WeakPolarHBondContact O-CG1 3.23Å; I489-I493 PolarHBondContact O-N 2.97Å; I489-L499 HydrophobicContact CB-CD1 4.39Å; I489-L499 HydrophobicContact CG1-CD1 3.67Å; I489-F503 HydrophobicContact CD1-CE2 4.01Å; I489-F503 HydrophobicContact CD1-CZ 4.17Å; I489-M601 HydrophobicContact CB-CE 4.3Å; I489-M601 HydrophobicContact CD1-CE 3.84Å; I489-M601 HydrophobicContact CG1-CE 3.89Å; I489-M601 HydrophobicContact CG2-CE 3.43Å; I489-M601 VanDerWaalsContact CG2-CE 3.43Å; I489-M601 HydrophobicContact CG2-CG 4.2Å; I489-M601 HydrophobicContact CG2-SD 3.73Å |
| 490 | G | 92.2 | Very high | 90.2 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 38% | 0.381 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.1 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | G486 R487 I488 Y494 | G486-G490 PolarHBondContact O-N 2.81Å; R487-G490 PolarHBondContact O-N 3.08Å; I488-G490 VanDerWaalsContact C-N 3.34Å; I488-G490 PolarHBondContact O-N 3.42Å; G490-Y494 VanDerWaalsContact O-CB 3.27Å; G490-Y494 WeakPolarHBondContact O-CB 3.44Å; G490-Y494 PolarHBondContact O-N 2.8Å |
| 491 | M | 93.7 | Very high | 89.3 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.039 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 174.9 | -73.5 | 172.5 | 65 | 0 | 0 | 111.7 | M393 I408 L416 L420 W439 F440 R487 I488 I489 I493 Y494 H495 | M393-M491 HydrophobicContact CE-CE 4.05Å; I408-M491 HydrophobicContact CD1-SD 4.11Å; I408-M491 HydrophobicContact CG1-SD 4.21Å; L416-M491 HydrophobicContact CB-CG 4.31Å; L416-M491 HydrophobicContact CB-SD 4.32Å; L416-M491 HydrophobicContact CD1-CG 4.4Å; L416-M491 HydrophobicContact CD1-SD 3.9Å; L416-M491 HydrophobicContact CD2-CE 4.06Å; L416-M491 HydrophobicContact CD2-SD 3.9Å; L416-M491 HydrophobicContact CG-SD 4.27Å; L420-M491 HydrophobicContact CD1-CE 3.94Å; L420-M491 HydrophobicContact CD2-CE 3.91Å; W439-M491 HydrophobicContact CH2-CE 4.17Å; W439-M491 HydrophobicContact CZ3-CE 4.39Å; F440-M491 HydrophobicContact CE1-CB 4.24Å; F440-M491 HydrophobicContact CZ-CB 3.96Å; R487-M491 WeakPolarHBondContact O-CB 3.35Å; R487-M491 VanDerWaalsContact O-CG 3.24Å; R487-M491 WeakPolarHBondContact O-CG 3.47Å; R487-M491 PolarHBondContact O-N 3.13Å; I488-M491 HydrophobicContact CD1-SD 4.5Å; I488-M491 WeakPolarHBondContact O-CB 3.41Å; I488-M491 PolarHBondContact O-N 2.71Å; I489-M491 VanDerWaalsContact C-N 3.34Å; I489-M491 PolarHBondContact O-N 3.31Å; M491-I493 PolarHBondContact O-N 2.76Å; M491-Y494 PolarHBondContact O-N 2.95Å; M491-H495 WeakPolarHBondContact O-CB 3.13Å; M491-H495 PolarHBondContact O-CD2 2.82Å; M491-H495 PolarHBondContact O-N 2.81Å |
| 492 | A | 91.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F440 I488 I489 Y494 G496 K497 L499 | F440-A492 HydrophobicContact CD1-CB 4.15Å; F440-A492 HydrophobicContact CE1-CB 3.79Å; F440-A492 HydrophobicContact CZ-CB 4.39Å; I488-A492 WeakPolarHBondContact O-CB 3.17Å; I488-A492 PolarHBondContact O-N 3.43Å; I489-A492 PolarHBondContact O-N 2.74Å; A492-Y494 PolarHBondContact O-N 2.74Å; A492-G496 CarbonylContact O-C 3.55Å; A492-G496 WeakPolarHBondContact O-CA 3.46Å; A492-G496 PolarHBondContact O-N 2.91Å; A492-K497 CarbonylContact C-O 3.6Å; A492-K497 HydrophobicContact CB-CB 4.46Å; A492-K497 PolarHBondContact O-N 3.19Å; A492-L499 HydrophobicContact CB-CD1 4.17Å; A492-L499 HydrophobicContact CB-CD2 4Å; A492-L499 HydrophobicContact CB-CG 3.86Å |
| 493 | I | 89.6 | Confident | 88.2 | Confident | 38 Ų | 38 | 25.2 Ų | 25.2 | 20% | 0.195 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 176 | -65.1 | 168.6 | 0 | 0 | 0 | 111.2 | L377 I489 M491 G496 L600 M601 | L377-I493 HydrophobicContact CD2-CG2 4.1Å; I489-I493 HydrophobicContact CG2-CD1 3.96Å; I489-I493 WeakPolarHBondContact O-CG1 3.23Å; I489-I493 PolarHBondContact O-N 2.97Å; M491-I493 PolarHBondContact O-N 2.76Å; I493-G496 PolarHBondContact O-N 2.79Å; I493-L600 HydrophobicContact CG1-CD2 4.48Å; I493-L600 HydrophobicContact CG1-CG 4.39Å; I493-L600 HydrophobicContact CG2-CD2 4.03Å; I493-L600 HydrophobicContact CG2-CG 4.36Å; I493-M601 HydrophobicContact CD1-CG 3.91Å; I493-M601 HydrophobicContact CD1-SD 4.44Å; I493-M601 HydrophobicContact CG1-CG 4.09Å |
| 494 | Y | 91.5 | Very high | 87.3 | Confident | 54 Ų | 54 | 20.6 Ų | 20.6 | 21% | 0.212 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | -178.1 | -179.6 | -86.7 | 0 | 0 | 0 | 112.5 | L381 P382 R417 G490 M491 A492 G496 | L381-Y494 HydrophobicContact CB-CD2 4.25Å; L381-Y494 HydrophobicContact CB-CE2 4.15Å; L381-Y494 HydrophobicContact CD1-CD2 3.97Å; L381-Y494 HydrophobicContact CD2-CD2 4.3Å; L381-Y494 HydrophobicContact CG-CD2 4.4Å; P382-Y494 VanDerWaalsContact O-CE2 3.27Å; P382-Y494 WeakPolarHBondContact O-CE2 3.35Å; P382-Y494 PolarHBondContact O-OH 3.07Å; R417-Y494 HydrophobicContact CB-CE1 3.94Å; R417-Y494 HydrophobicContact CB-CE2 4.36Å; R417-Y494 WeakPolarHBondContact CB-OH 3.36Å; R417-Y494 HydrophobicContact CG-CD2 4.27Å; R417-Y494 HydrophobicContact CG-CE1 4.01Å; R417-Y494 HydrophobicContact CG-CE2 3.72Å; R417-Y494 WeakPolarHBondContact O-CE1 3.22Å; R417-Y494 PolarHBondContact O-OH 3.3Å; G490-Y494 VanDerWaalsContact O-CB 3.27Å; G490-Y494 WeakPolarHBondContact O-CB 3.44Å; G490-Y494 PolarHBondContact O-N 2.8Å; M491-Y494 PolarHBondContact O-N 2.95Å; A492-Y494 PolarHBondContact O-N 2.74Å; Y494-G496 VanDerWaalsContact C-N 3.34Å |
| 495 | H | 89.4 | Confident | 86.3 | Confident | 45 Ų | 45 | 25.2 Ų | 25.2 | 21% | 0.208 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -87.3 | -0.8 | -178.2 | -69 | -68.5 | 0 | 0 | 0 | 113.7 | L416 N418 M491 K497 | L416-H495 PolarHBondContact O-NE2 2.68Å; N418-H495 PolarHBondContact O-CE1 3.45Å; N418-H495 VanDerWaalsContact O-CE1 3.23Å; M491-H495 WeakPolarHBondContact O-CB 3.13Å; M491-H495 PolarHBondContact O-CD2 2.82Å; M491-H495 PolarHBondContact O-N 2.81Å; H495-K497 HydrophobicContact CB-CG 4Å |
| 496 | G | 86.1 | Confident | 85.7 | Confident | 23 Ų | 23 | 25.3 Ų | 25.3 | 24% | 0.237 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 40.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A492 I493 Y494 | A492-G496 CarbonylContact O-C 3.55Å; A492-G496 WeakPolarHBondContact O-CA 3.46Å; A492-G496 PolarHBondContact O-N 2.91Å; I493-G496 PolarHBondContact O-N 2.79Å; Y494-G496 VanDerWaalsContact C-N 3.34Å |
| 497 | K | 87.3 | Confident | 85.2 | Confident | 27 Ų | 27 | 24.8 Ų | 24.8 | 12% | 0.117 | 13% | 0.129 | C | C | . | . | trans | -104.2 | 146.5 | 176.2 | -52.7 | -59.6 | -178 | 177 | 0 | 109.5 | R437 F440 A492 H495 | R437-K497 HydrophobicContact CG-CD 3.86Å; F440-K497 HydrophobicContact CD2-CB 3.63Å; F440-K497 HydrophobicContact CD2-CG 3.58Å; F440-K497 HydrophobicContact CE2-CB 3.85Å; F440-K497 HydrophobicContact CE2-CG 3.52Å; F440-K497 HydrophobicContact CG-CB 4.03Å; F440-K497 HydrophobicContact CG-CG 4.46Å; F440-K497 HydrophobicContact CZ-CB 4.39Å; F440-K497 HydrophobicContact CZ-CG 4.33Å; A492-K497 CarbonylContact C-O 3.6Å; A492-K497 HydrophobicContact CB-CB 4.46Å; A492-K497 PolarHBondContact O-N 3.19Å; H495-K497 HydrophobicContact CB-CG 4Å | ||
| 498 | L | 84.7 | Confident | 84.7 | Confident | 35 Ų | 35 | 23.1 Ų | 23.1 | 18% | 0.183 | 12% | 0.122 | C | C | . | . | trans | -95.7 | 141 | 177.1 | -59.1 | 177.6 | 0 | 0 | 0 | 109 | R656 | L498-R656 HydrophobicContact CB-CB 4.37Å; L498-R656 HydrophobicContact CD1-CB 3.65Å | ||
| 499 | L | 85.5 | Confident | 84.1 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | trans | -97.8 | 142.6 | 170 | -62.3 | 177 | 0 | 0 | 0 | 109.2 | F440 I488 I489 A492 A501 M601 | F440-L499 HydrophobicContact CB-CD2 4.39Å; F440-L499 HydrophobicContact CD1-CD2 3.7Å; F440-L499 HydrophobicContact CE1-CD2 4.5Å; F440-L499 HydrophobicContact CG-CD2 4.48Å; I488-L499 HydrophobicContact CG2-CD1 4.47Å; I488-L499 HydrophobicContact CG2-CD2 4.03Å; I489-L499 HydrophobicContact CB-CD1 4.39Å; I489-L499 HydrophobicContact CG1-CD1 3.67Å; A492-L499 HydrophobicContact CB-CD1 4.17Å; A492-L499 HydrophobicContact CB-CD2 4Å; A492-L499 HydrophobicContact CB-CG 3.86Å; L499-A501 PolarHBondContact O-N 3.4Å; L499-M601 PolarHBondContact N-O 3.21Å | ||
| 500 | D | 81 | Confident | 83.5 | Confident | 26 Ų | 26 | 28.9 Ų | 28.9 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -91.3 | 74.6 | 175.5 | -160.1 | 9.1 | 0 | 0 | 0 | 110.9 | F441 S444 H445 S655 R656 | F441-D500 HydrophobicContact CD2-CB 3.89Å; F441-D500 HydrophobicContact CE2-CB 4.07Å; F441-D500 WeakPolarHBondContact CE2-OD2 3.47Å; S444-D500 WeakPolarHBondContact OG-CA 3.42Å; S444-D500 WeakPolarHBondContact OG-CB 3.14Å; S444-D500 PolarHBondContact OG-N 3.08Å; S444-D500 PolarHBondContact OG-O 3.07Å; H445-D500 IonicContact CE1-OD2 3.1Å; H445-D500 PolarHBondContact CE1-OD2 2.9Å; H445-D500 VanDerWaalsContact CE1-OD2 3.23Å; H445-D500 IonicContact NE2-OD2 3.56Å; D500-S655 PolarHBondContact OD2-OG 3.39Å; D500-R656 IonicContact OD1-CZ 3.64Å; D500-R656 IonicContact OD1-NE 2.76Å; D500-R656 PolarHBondContact OD1-NE 3.1Å; D500-R656 IonicContact OD1-NH2 3.29Å; D500-R656 PolarHBondContact OD1-NH2 2.77Å; D500-R656 IonicContact OD2-NH2 3.44Å |
| 501 | A | 73.7 | Confident | 83 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 7% | 0.066 | 14% | 0.143 | C | C | . | . | trans | -162.1 | 147.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F448 L465 L499 C602 | F448-A501 HydrophobicContact CD2-CB 3.19Å; F448-A501 HydrophobicContact CE1-CB 4.32Å; F448-A501 HydrophobicContact CE2-CB 2.97Å; F448-A501 HydrophobicContact CG-CB 4.03Å; F448-A501 HydrophobicContact CZ-CB 3.6Å; L465-A501 HydrophobicContact CD1-CB 4.37Å; L499-A501 PolarHBondContact O-N 3.4Å; A501-C602 WeakPolarHBondContact O-CB 3.43Å; A501-C602 PolarHBondContact O-SG 2.97Å | ||
| 502 | F | 74.4 | Confident | 82.5 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.4 | 173.8 | -64.5 | -85.8 | 0 | 0 | 0 | 108.2 | T464 L465 E598 C602 Q605 | T464-F502 CarbonylContact C-O 3.56Å; T464-F502 WeakPolarHBondContact CA-O 3.48Å; T464-F502 HydrophobicContact CG2-CB 4.26Å; L465-F502 PolarHBondContact N-O 2.93Å; F502-E598 HydrophobicContact CD1-CG 4.46Å; F502-E598 WeakPolarHBondContact CD1-OE1 3.42Å; F502-C602 HydrophobicContact CD1-CB 4.17Å; F502-C602 HydrophobicContact CE1-CB 3.88Å; F502-C602 HydrophobicContact CZ-CB 4.42Å; F502-Q605 HydrophobicContact CE1-CB 4.2Å; F502-Q605 HydrophobicContact CE1-CG 4.46Å; F502-Q605 HydrophobicContact CE2-CG 4.09Å; F502-Q605 HydrophobicContact CZ-CB 3.8Å; F502-Q605 HydrophobicContact CZ-CG 3.79Å |
| 503 | F | 81.2 | Confident | 81.8 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 154.9 | 167.7 | -60.7 | -71.2 | 0 | 0 | 0 | 109.5 | F448 F455 L465 I489 R505 F507 Y508 M601 | F448-F503 HydrophobicContact CD1-CE1 4.2Å; F448-F503 AromaticContact CE1-CE1 3.36Å; F448-F503 HydrophobicContact CE1-CE1 3.36Å; F448-F503 HydrophobicContact CE1-CE2 4.44Å; F448-F503 AromaticContact CE1-CZ 3.33Å; F448-F503 HydrophobicContact CE1-CZ 3.33Å; F448-F503 HydrophobicContact CZ-CE1 4.01Å; F448-F503 HydrophobicContact CZ-CE2 4.29Å; F448-F503 AromaticContact CZ-CZ 3.51Å; F448-F503 HydrophobicContact CZ-CZ 3.51Å; F455-F503 HydrophobicContact CD1-CE1 4.01Å; F455-F503 HydrophobicContact CE1-CD1 4.3Å; F455-F503 AromaticContact CE1-CE1 3.49Å; F455-F503 HydrophobicContact CE1-CE1 3.49Å; F455-F503 VanDerWaalsContact CE1-CE1 3.49Å; F455-F503 HydrophobicContact CE1-CZ 4.32Å; F455-F503 AromaticContact CZ-CE1 3.89Å; F455-F503 HydrophobicContact CZ-CE1 3.89Å; F455-F503 HydrophobicContact CZ-CZ 4.34Å; L465-F503 HydrophobicContact CB-CD1 4.31Å; L465-F503 CarbonylContact O-C 3.54Å; L465-F503 VanDerWaalsContact O-CA 3.26Å; L465-F503 WeakPolarHBondContact O-CA 3.47Å; I489-F503 HydrophobicContact CD1-CE2 4.01Å; I489-F503 HydrophobicContact CD1-CZ 4.17Å; F503-R505 PolarHBondContact O-N 2.85Å; F503-F507 HydrophobicContact CB-CB 3.78Å; F503-F507 HydrophobicContact CB-CD1 3.36Å; F503-F507 HydrophobicContact CB-CE1 4.27Å; F503-F507 HydrophobicContact CB-CG 3.91Å; F503-F507 AromaticContact CD1-CD1 3.58Å; F503-F507 HydrophobicContact CD1-CD1 3.58Å; F503-F507 AromaticContact CD1-CE1 3.7Å; F503-F507 HydrophobicContact CD1-CE1 3.7Å; F503-F507 HydrophobicContact CD1-CG 4.3Å; F503-F507 AromaticContact CD2-CD1 3.51Å; F503-F507 HydrophobicContact CD2-CD1 3.51Å; F503-F507 AromaticContact CD2-CE1 3.62Å; F503-F507 HydrophobicContact CD2-CE1 3.62Å; F503-F507 HydrophobicContact CE1-CD1 4.18Å; F503-F507 AromaticContact CE1-CE1 3.8Å; F503-F507 HydrophobicContact CE1-CE1 3.8Å; F503-F507 HydrophobicContact CE1-CZ 4.46Å; F503-F507 HydrophobicContact CE2-CD1 4.12Å; F503-F507 AromaticContact CE2-CE1 3.73Å; F503-F507 HydrophobicContact CE2-CE1 3.73Å; F503-F507 HydrophobicContact CG-CB 4.5Å; F503-F507 AromaticContact CG-CD1 3.19Å; F503-F507 HydrophobicContact CG-CD1 3.19Å; F503-F507 AromaticContact CG-CE1 3.6Å; F503-F507 HydrophobicContact CG-CE1 3.6Å; F503-F507 HydrophobicContact CG-CG 4.1Å; F503-F507 HydrophobicContact CZ-CD1 4.41Å; F503-F507 AromaticContact CZ-CE1 3.8Å; F503-F507 HydrophobicContact CZ-CE1 3.8Å; F503-Y508 HydrophobicContact CB-CE1 4.41Å; F503-Y508 HydrophobicContact CB-CE2 3.86Å; F503-Y508 AromaticContact CD2-CE1 3.94Å; F503-Y508 HydrophobicContact CD2-CE1 3.94Å; F503-Y508 AromaticContact CD2-CZ 3.88Å; F503-Y508 PolarHBondContact N-OH 3.47Å; F503-Y508 VanDerWaalsContact N-OH 3.1Å; F503-Y508 WeakPolarHBondContact O-CE2 3.31Å; F503-M601 HydrophobicContact CD2-CE 4.09Å; F503-M601 HydrophobicContact CE2-CE 3.74Å |
| 504 | I | 72.3 | Confident | 81.3 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.062 | 15% | 0.153 | C | C | . | . | trans | -52.4 | 142.4 | 166.5 | 57.6 | 165.1 | 0 | 0 | 0 | 109.8 | L465 Q466 P506 F507 V524 | L465-I504 PolarHBondContact O-N 2.85Å; Q466-I504 HydrophobicContact CB-CD1 3.54Å; Q466-I504 HydrophobicContact CB-CG1 3.91Å; Q466-I504 HydrophobicContact CB-CG2 4.3Å; I504-P506 VanDerWaalsContact C-N 3.29Å; I504-P506 HydrophobicContact CB-CG 4.41Å; I504-P506 HydrophobicContact CD1-CB 4.15Å; I504-P506 HydrophobicContact CD1-CG 3.97Å; I504-P506 HydrophobicContact CG1-CG 4.33Å; I504-F507 HydrophobicContact CG1-CB 3.9Å; I504-F507 VanDerWaalsContact O-CB 3.24Å; I504-F507 WeakPolarHBondContact O-CB 3.19Å; I504-F507 PolarHBondContact O-N 3.01Å; I504-V524 HydrophobicContact CD1-CG2 3.86Å | ||
| 505 | R | 74.6 | Confident | 80.6 | Confident | 98 Ų | 98 | 33.1 Ų | 33.1 | 37% | 0.37 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -48.9 | -42 | 177.4 | -174.1 | -167 | -175.9 | 93.5 | 16.2 | 113.9 | F503 F507 Y508 K509 A594 N595 | F503-R505 PolarHBondContact O-N 2.85Å; R505-F507 PolarHBondContact O-N 3.32Å; R505-Y508 PolarHBondContact O-N 3.17Å; R505-K509 PolarHBondContact O-N 3.19Å; R505-K509 VanDerWaalsContact O-N 3.15Å; R505-A594 HydrophobicContact CG-CB 4.11Å; R505-N595 PolarHBondContact NH1-OD1 3.17Å; R505-N595 PolarHBondContact NH2-ND2 2.79Å; R505-N595 VanDerWaalsContact NH2-ND2 3.15Å; R505-N595 PolarHBondContact NH2-OD1 3Å |
| 506 | P | 78.3 | Confident | 80.2 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.9 | -36.5 | 173.4 | -17.5 | 17.4 | 0 | 0 | 0 | 113.5 | I504 Y508 K509 M510 I516 D520 S523 V524 | I504-P506 VanDerWaalsContact C-N 3.29Å; I504-P506 HydrophobicContact CB-CG 4.41Å; I504-P506 HydrophobicContact CD1-CB 4.15Å; I504-P506 HydrophobicContact CD1-CG 3.97Å; I504-P506 HydrophobicContact CG1-CG 4.33Å; P506-Y508 VanDerWaalsContact C-N 3.35Å; P506-Y508 PolarHBondContact O-N 3.48Å; P506-K509 CarbonylContact O-C 3.57Å; P506-K509 WeakPolarHBondContact O-CA 3.49Å; P506-K509 VanDerWaalsContact O-CB 3.3Å; P506-K509 WeakPolarHBondContact O-CB 3.41Å; P506-K509 PolarHBondContact O-N 3.34Å; P506-M510 VanDerWaalsContact O-CG 3.29Å; P506-M510 WeakPolarHBondContact O-CG 3.2Å; P506-M510 PolarHBondContact O-N 3.43Å; P506-I516 HydrophobicContact CB-CD1 4.2Å; P506-I516 HydrophobicContact CB-CG2 4.5Å; P506-D520 HydrophobicContact CB-CB 4.44Å; P506-D520 HydrophobicContact CG-CB 4Å; P506-D520 WeakPolarHBondContact CG-O 3.49Å; P506-S523 WeakPolarHBondContact CD-OG 3.37Å; P506-V524 HydrophobicContact CG-CG2 3.61Å |
| 507 | F | 82.3 | Confident | 80.1 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | -179.3 | -172.8 | -111.5 | 0 | 0 | 0 | 112 | I467 F503 I504 R505 K509 M510 M511 | I467-F507 HydrophobicContact CD1-CD2 4.39Å; I467-F507 HydrophobicContact CD1-CE2 3.6Å; I467-F507 HydrophobicContact CD1-CZ 4.42Å; I467-F507 HydrophobicContact CG1-CD2 4.44Å; I467-F507 HydrophobicContact CG1-CE2 3.86Å; F503-F507 HydrophobicContact CB-CB 3.78Å; F503-F507 HydrophobicContact CB-CD1 3.36Å; F503-F507 HydrophobicContact CB-CE1 4.27Å; F503-F507 HydrophobicContact CB-CG 3.91Å; F503-F507 AromaticContact CD1-CD1 3.58Å; F503-F507 HydrophobicContact CD1-CD1 3.58Å; F503-F507 AromaticContact CD1-CE1 3.7Å; F503-F507 HydrophobicContact CD1-CE1 3.7Å; F503-F507 HydrophobicContact CD1-CG 4.3Å; F503-F507 AromaticContact CD2-CD1 3.51Å; F503-F507 HydrophobicContact CD2-CD1 3.51Å; F503-F507 AromaticContact CD2-CE1 3.62Å; F503-F507 HydrophobicContact CD2-CE1 3.62Å; F503-F507 HydrophobicContact CE1-CD1 4.18Å; F503-F507 AromaticContact CE1-CE1 3.8Å; F503-F507 HydrophobicContact CE1-CE1 3.8Å; F503-F507 HydrophobicContact CE1-CZ 4.46Å; F503-F507 HydrophobicContact CE2-CD1 4.12Å; F503-F507 AromaticContact CE2-CE1 3.73Å; F503-F507 HydrophobicContact CE2-CE1 3.73Å; F503-F507 HydrophobicContact CG-CB 4.5Å; F503-F507 AromaticContact CG-CD1 3.19Å; F503-F507 HydrophobicContact CG-CD1 3.19Å; F503-F507 AromaticContact CG-CE1 3.6Å; F503-F507 HydrophobicContact CG-CE1 3.6Å; F503-F507 HydrophobicContact CG-CG 4.1Å; F503-F507 HydrophobicContact CZ-CD1 4.41Å; F503-F507 AromaticContact CZ-CE1 3.8Å; F503-F507 HydrophobicContact CZ-CE1 3.8Å; I504-F507 HydrophobicContact CG1-CB 3.9Å; I504-F507 VanDerWaalsContact O-CB 3.24Å; I504-F507 WeakPolarHBondContact O-CB 3.19Å; I504-F507 PolarHBondContact O-N 3.01Å; R505-F507 PolarHBondContact O-N 3.32Å; F507-K509 VanDerWaalsContact C-N 3.34Å; F507-M510 WeakPolarHBondContact O-CB 3.42Å; F507-M510 PolarHBondContact O-N 3.28Å; F507-M511 HydrophobicContact CD1-CE 3.6Å; F507-M511 HydrophobicContact CD1-SD 4.42Å; F507-M511 HydrophobicContact CE1-CE 3.65Å; F507-M511 HydrophobicContact CE1-CG 4.39Å; F507-M511 HydrophobicContact CE1-SD 3.94Å; F507-M511 HydrophobicContact CZ-SD 4.43Å; F507-M511 PolarHBondContact O-N 3.4Å |
| 508 | Y | 84 | Confident | 79.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.2 | -37 | 171.8 | -58.7 | -70.9 | 0 | 0 | 0 | 111.8 | F503 R505 P506 M511 L512 L597 E598 M601 C602 | F503-Y508 HydrophobicContact CB-CE1 4.41Å; F503-Y508 HydrophobicContact CB-CE2 3.86Å; F503-Y508 AromaticContact CD2-CE1 3.94Å; F503-Y508 HydrophobicContact CD2-CE1 3.94Å; F503-Y508 AromaticContact CD2-CZ 3.88Å; F503-Y508 PolarHBondContact N-OH 3.47Å; F503-Y508 VanDerWaalsContact N-OH 3.1Å; F503-Y508 WeakPolarHBondContact O-CE2 3.31Å; R505-Y508 PolarHBondContact O-N 3.17Å; P506-Y508 VanDerWaalsContact C-N 3.35Å; P506-Y508 PolarHBondContact O-N 3.48Å; Y508-M511 HydrophobicContact CD1-CE 3.38Å; Y508-M511 HydrophobicContact CE1-CE 3.88Å; Y508-M511 HydrophobicContact CG-CE 4.22Å; Y508-M511 PolarHBondContact O-N 3.23Å; Y508-L512 WeakPolarHBondContact O-CB 3.49Å; Y508-L512 WeakPolarHBondContact O-CD1 3.26Å; Y508-L512 WeakPolarHBondContact O-CG 3.35Å; Y508-L512 PolarHBondContact O-N 3.34Å; Y508-L597 HydrophobicContact CD1-CB 4.27Å; Y508-L597 HydrophobicContact CD1-CD2 4.02Å; Y508-L597 HydrophobicContact CD1-CG 3.87Å; Y508-E598 HydrophobicContact CD1-CB 4.27Å; Y508-E598 HydrophobicContact CD2-CB 3.81Å; Y508-E598 HydrophobicContact CD2-CG 4.32Å; Y508-E598 HydrophobicContact CE1-CB 4Å; Y508-E598 HydrophobicContact CE2-CB 3.49Å; Y508-E598 VanDerWaalsContact CE2-CB 3.49Å; Y508-E598 HydrophobicContact CE2-CG 3.57Å; Y508-E598 HydrophobicContact CG-CB 4.19Å; Y508-M601 HydrophobicContact CD1-SD 4.24Å; Y508-M601 HydrophobicContact CE1-CE 4.03Å; Y508-M601 HydrophobicContact CE1-SD 3.84Å; Y508-C602 PolarHBondContact OH-SG 3.27Å |
| 509 | K | 80.4 | Confident | 79.6 | Confident | 31 Ų | 31 | 37.6 Ų | 37.6 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 171.7 | -74.3 | -170.7 | 173.9 | -174.9 | 0 | 111.2 | R505 P506 F507 L512 G513 K514 I516 D520 A594 | R505-K509 PolarHBondContact O-N 3.19Å; R505-K509 VanDerWaalsContact O-N 3.15Å; P506-K509 CarbonylContact O-C 3.57Å; P506-K509 WeakPolarHBondContact O-CA 3.49Å; P506-K509 VanDerWaalsContact O-CB 3.3Å; P506-K509 WeakPolarHBondContact O-CB 3.41Å; P506-K509 PolarHBondContact O-N 3.34Å; F507-K509 VanDerWaalsContact C-N 3.34Å; K509-L512 CarbonylContact O-C 2.9Å; K509-L512 VanDerWaalsContact O-C 3.24Å; K509-L512 WeakPolarHBondContact O-CA 3.32Å; K509-L512 PolarHBondContact O-N 3.04Å; K509-G513 CarbonylContact O-C 3.51Å; K509-G513 WeakPolarHBondContact O-CA 3.49Å; K509-G513 PolarHBondContact O-N 2.99Å; K509-K514 HydrophobicContact CB-CB 3.91Å; K509-K514 HydrophobicContact CD-CB 4.39Å; K509-K514 HydrophobicContact CG-CB 4.02Å; K509-K514 PolarHBondContact O-N 3.03Å; K509-I516 HydrophobicContact CB-CD1 3.47Å; K509-I516 VanDerWaalsContact CB-CD1 3.47Å; K509-I516 HydrophobicContact CD-CD1 4.17Å; K509-I516 HydrophobicContact CG-CD1 4.47Å; K509-D520 WeakPolarHBondContact CD-OD1 3.44Å; K509-D520 WeakPolarHBondContact CE-OD1 3.08Å; K509-D520 IonicContact NZ-OD1 2.69Å; K509-D520 PolarHBondContact NZ-OD1 3.43Å; K509-D520 IonicContact NZ-OD2 2.76Å; K509-D520 PolarHBondContact NZ-OD2 2.79Å; K509-A594 HydrophobicContact CG-CB 3.75Å |
| 510 | M | 80.1 | Confident | 79.4 | Confident | 106 Ų | 106 | 37.4 Ų | 37.4 | 52% | 0.522 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.6 | -66.1 | 169.5 | 75 | 0 | 0 | 111.5 | P506 F507 L512 G513 I516 | P506-M510 VanDerWaalsContact O-CG 3.29Å; P506-M510 WeakPolarHBondContact O-CG 3.2Å; P506-M510 PolarHBondContact O-N 3.43Å; F507-M510 WeakPolarHBondContact O-CB 3.42Å; F507-M510 PolarHBondContact O-N 3.28Å; M510-L512 PolarHBondContact O-N 2.84Å; M510-G513 WeakPolarHBondContact O-CA 3.25Å; M510-G513 PolarHBondContact O-N 2.75Å; M510-I516 HydrophobicContact CG-CD1 3.87Å; M510-I516 HydrophobicContact CG-CG1 4.2Å |
| 511 | M | 81.5 | Confident | 79.2 | Confident | 48 Ų | 48 | 37.5 Ų | 37.5 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -27.6 | 173 | -76.1 | -167.2 | -71.8 | 0 | 0 | 112.4 | F507 Y508 G513 R590 L597 M601 | F507-M511 HydrophobicContact CD1-CE 3.6Å; F507-M511 HydrophobicContact CD1-SD 4.42Å; F507-M511 HydrophobicContact CE1-CE 3.65Å; F507-M511 HydrophobicContact CE1-CG 4.39Å; F507-M511 HydrophobicContact CE1-SD 3.94Å; F507-M511 HydrophobicContact CZ-SD 4.43Å; F507-M511 PolarHBondContact O-N 3.4Å; Y508-M511 HydrophobicContact CD1-CE 3.38Å; Y508-M511 HydrophobicContact CE1-CE 3.88Å; Y508-M511 HydrophobicContact CG-CE 4.22Å; Y508-M511 PolarHBondContact O-N 3.23Å; M511-G513 VanDerWaalsContact C-N 3.33Å; M511-R590 PolarHBondContact O-NE 3.47Å; M511-R590 PolarHBondContact O-NH1 2.89Å; M511-R590 PolarHBondContact O-NH2 3.17Å; M511-L597 HydrophobicContact CB-CD2 3.9Å; M511-L597 HydrophobicContact CE-CD2 3.9Å; M511-M601 HydrophobicContact CE-CE 4.25Å; M511-M601 HydrophobicContact CE-SD 4.01Å |
| 512 | L | 82.7 | Confident | 79.3 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 1.3 | 173.8 | -65.5 | 165.5 | 0 | 0 | 0 | 113.3 | Y508 K509 M510 K514 L589 R590 F592 D593 L597 | Y508-L512 WeakPolarHBondContact O-CB 3.49Å; Y508-L512 WeakPolarHBondContact O-CD1 3.26Å; Y508-L512 WeakPolarHBondContact O-CG 3.35Å; Y508-L512 PolarHBondContact O-N 3.34Å; K509-L512 CarbonylContact O-C 2.9Å; K509-L512 VanDerWaalsContact O-C 3.24Å; K509-L512 WeakPolarHBondContact O-CA 3.32Å; K509-L512 PolarHBondContact O-N 3.04Å; M510-L512 PolarHBondContact O-N 2.84Å; L512-K514 HydrophobicContact CB-CD 4.49Å; L512-K514 HydrophobicContact CB-CG 4Å; L512-K514 PolarHBondContact O-N 3.3Å; L512-K514 VanDerWaalsContact O-N 3.12Å; L512-L589 CarbonylContact O-C 3.47Å; L512-R590 HydrophobicContact CB-CB 4.2Å; L512-R590 HydrophobicContact CD2-CB 3.88Å; L512-R590 WeakPolarHBondContact O-CB 3.4Å; L512-R590 WeakPolarHBondContact O-CG 3.34Å; L512-R590 PolarHBondContact O-N 3.38Å; L512-F592 VanDerWaalsContact CD1-O 3.24Å; L512-F592 WeakPolarHBondContact CD1-O 3.46Å; L512-F592 HydrophobicContact CD2-CB 4.03Å; L512-F592 WeakPolarHBondContact CD2-O 3.2Å; L512-D593 VanDerWaalsContact CD1-O 3.29Å; L512-D593 WeakPolarHBondContact CD1-O 3.36Å; L512-L597 HydrophobicContact CD1-CB 4.05Å; L512-L597 HydrophobicContact CD1-CD2 4.11Å; L512-L597 HydrophobicContact CD2-CD2 4.02Å; L512-L597 HydrophobicContact CG-CD2 3.76Å |
| 513 | G | 76.5 | Confident | 78.9 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 13% | 0.134 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 25.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115 | K509 M510 M511 K515 N587 L588 | K509-G513 CarbonylContact O-C 3.51Å; K509-G513 WeakPolarHBondContact O-CA 3.49Å; K509-G513 PolarHBondContact O-N 2.99Å; M510-G513 WeakPolarHBondContact O-CA 3.25Å; M510-G513 PolarHBondContact O-N 2.75Å; M511-G513 VanDerWaalsContact C-N 3.33Å; G513-K515 PolarHBondContact O-N 3.39Å; G513-N587 CarbonylContact O-C 3.54Å; G513-L588 VanDerWaalsContact C-C 3.48Å; G513-L588 CarbonylContact C-O 3.48Å; G513-L588 WeakPolarHBondContact CA-O 3.44Å; G513-L588 CarbonylContact O-C 3.6Å; G513-L588 WeakPolarHBondContact O-CA 3.31Å; G513-L588 PolarHBondContact O-N 2.95Å |
| 514 | K | 78.8 | Confident | 78.3 | Confident | 67 Ų | 67 | 42.6 Ų | 42.6 | 29% | 0.291 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -64.5 | 140.1 | 170.2 | -66.2 | -170 | 175.7 | -157.8 | 0 | 109.3 | K509 L512 I516 F592 | K509-K514 HydrophobicContact CB-CB 3.91Å; K509-K514 HydrophobicContact CD-CB 4.39Å; K509-K514 HydrophobicContact CG-CB 4.02Å; K509-K514 PolarHBondContact O-N 3.03Å; L512-K514 HydrophobicContact CB-CD 4.49Å; L512-K514 HydrophobicContact CB-CG 4Å; L512-K514 PolarHBondContact O-N 3.3Å; L512-K514 VanDerWaalsContact O-N 3.12Å; K514-I516 PolarHBondContact O-N 3.05Å; K514-F592 WeakPolarHBondContact CE-O 3.45Å |
| 515 | K | 77.2 | Confident | 78.2 | Confident | 91 Ų | 91 | 44.5 Ų | 44.5 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -53.9 | 130 | 174.1 | 178.8 | 170.2 | -175.8 | 176 | 0 | 109.1 | G513 E581 | G513-K515 PolarHBondContact O-N 3.39Å; K515-E581 IonicContact NZ-OE1 2.69Å; K515-E581 PolarHBondContact NZ-OE1 2.95Å |
| 516 | I | 82 | Confident | 78.2 | Confident | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.087 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -78.8 | 137.4 | 169.2 | -49.2 | -53.8 | 0 | 0 | 0 | 106.5 | P506 K509 M510 K514 D520 V584 P585 | P506-I516 HydrophobicContact CB-CD1 4.2Å; P506-I516 HydrophobicContact CB-CG2 4.5Å; K509-I516 HydrophobicContact CB-CD1 3.47Å; K509-I516 VanDerWaalsContact CB-CD1 3.47Å; K509-I516 HydrophobicContact CD-CD1 4.17Å; K509-I516 HydrophobicContact CG-CD1 4.47Å; M510-I516 HydrophobicContact CG-CD1 3.87Å; M510-I516 HydrophobicContact CG-CG1 4.2Å; K514-I516 PolarHBondContact O-N 3.05Å; I516-D520 HydrophobicContact CG2-CB 3.81Å; I516-V584 HydrophobicContact CB-CG1 3.9Å; I516-V584 HydrophobicContact CG2-CG1 3.82Å; I516-V584 WeakPolarHBondContact O-CG1 3.26Å; I516-P585 WeakPolarHBondContact CB-O 3.18Å |
| 517 | T | 82.5 | Confident | 78.1 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | trans | -121.3 | 163.1 | -177 | 59.3 | 0 | 0 | 0 | 0 | 109.2 | F519 D520 | T517-F519 PolarHBondContact O-N 3.4Å; T517-D520 PolarHBondContact N-OD2 3.22Å; T517-D520 VanDerWaalsContact O-CB 3.26Å; T517-D520 WeakPolarHBondContact O-CB 3.39Å; T517-D520 PolarHBondContact O-N 3.3Å; T517-D520 PolarHBondContact OG1-OD2 2.99Å | ||
| 518 | L | 80.9 | Confident | 78 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -52 | -40.6 | 176.3 | 176.4 | 58.6 | 0 | 0 | 0 | 112.4 | D520 M521 Y529 L532 I533 K536 I580 | L518-D520 PolarHBondContact O-N 2.84Å; L518-D520 VanDerWaalsContact O-N 3.16Å; L518-M521 WeakPolarHBondContact O-CB 3.32Å; L518-M521 PolarHBondContact O-N 3.12Å; L518-Y529 HydrophobicContact CD1-CD2 4.1Å; L518-Y529 HydrophobicContact CD1-CE2 4.43Å; L518-Y529 HydrophobicContact CG-CD2 4.23Å; L518-Y529 HydrophobicContact CG-CE2 4.05Å; L518-Y529 VanDerWaalsContact O-CD2 3.24Å; L518-Y529 WeakPolarHBondContact O-CD2 3.34Å; L518-Y529 WeakPolarHBondContact O-CE2 3.34Å; L518-L532 HydrophobicContact CD1-CB 3.52Å; L518-L532 HydrophobicContact CD1-CD1 3.63Å; L518-L532 HydrophobicContact CD1-CG 4.25Å; L518-I533 HydrophobicContact CD2-CD1 3.64Å; L518-I533 HydrophobicContact CD2-CG1 4.33Å; L518-I533 HydrophobicContact CG-CD1 4.22Å; L518-K536 HydrophobicContact CD2-CD 3.78Å; L518-I580 HydrophobicContact CB-CG2 4.36Å; L518-I580 HydrophobicContact CD1-CG2 4.28Å; L518-I580 HydrophobicContact CD2-CG2 4.14Å; L518-I580 HydrophobicContact CG-CG2 4.49Å |
| 519 | F | 81.4 | Confident | 77.7 | Confident | 125 Ų | 125 | 53.7 Ų | 53.7 | 55% | 0.548 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -24.8 | 177.4 | -172.1 | -97.6 | 0 | 0 | 0 | 113.8 | T517 M521 E522 | T517-F519 PolarHBondContact O-N 3.4Å; F519-M521 VanDerWaalsContact C-N 3.27Å; F519-M521 PolarHBondContact O-N 3.39Å; F519-E522 WeakPolarHBondContact CE2-OE2 3.47Å; F519-E522 WeakPolarHBondContact CZ-OE2 3.34Å; F519-E522 WeakPolarHBondContact O-CB 3.29Å; F519-E522 PolarHBondContact O-N 2.81Å |
| 520 | D | 81 | Confident | 77.8 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.011 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.8 | -25.3 | 176.6 | -65.8 | -60.7 | 0 | 0 | 0 | 112.3 | P506 K509 I516 T517 L518 E522 S523 | P506-D520 HydrophobicContact CB-CB 4.44Å; P506-D520 HydrophobicContact CG-CB 4Å; P506-D520 WeakPolarHBondContact CG-O 3.49Å; K509-D520 WeakPolarHBondContact CD-OD1 3.44Å; K509-D520 WeakPolarHBondContact CE-OD1 3.08Å; K509-D520 IonicContact NZ-OD1 2.69Å; K509-D520 PolarHBondContact NZ-OD1 3.43Å; K509-D520 IonicContact NZ-OD2 2.76Å; K509-D520 PolarHBondContact NZ-OD2 2.79Å; I516-D520 HydrophobicContact CG2-CB 3.81Å; T517-D520 PolarHBondContact N-OD2 3.22Å; T517-D520 VanDerWaalsContact O-CB 3.26Å; T517-D520 WeakPolarHBondContact O-CB 3.39Å; T517-D520 PolarHBondContact O-N 3.3Å; T517-D520 PolarHBondContact OG1-OD2 2.99Å; L518-D520 PolarHBondContact O-N 2.84Å; L518-D520 VanDerWaalsContact O-N 3.16Å; D520-E522 PolarHBondContact O-N 3.25Å; D520-S523 PolarHBondContact O-N 3.11Å; D520-S523 PolarHBondContact O-OG 3.46Å |
| 521 | M | 77.4 | Confident | 78.2 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 14% | 0.138 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -27.6 | 176.9 | -163.9 | 62.1 | 74 | 0 | 0 | 111.8 | L518 F519 S523 V524 D525 Y528 Y529 L532 V583 | L518-M521 WeakPolarHBondContact O-CB 3.32Å; L518-M521 PolarHBondContact O-N 3.12Å; F519-M521 VanDerWaalsContact C-N 3.27Å; F519-M521 PolarHBondContact O-N 3.39Å; M521-S523 PolarHBondContact O-N 3.43Å; M521-S523 VanDerWaalsContact O-N 3.08Å; M521-V524 WeakPolarHBondContact O-CB 3.49Å; M521-V524 PolarHBondContact O-N 2.84Å; M521-V524 HydrophobicContact SD-CB 3.84Å; M521-V524 HydrophobicContact SD-CG1 3.98Å; M521-V524 HydrophobicContact SD-CG2 4.28Å; M521-D525 CarbonylContact O-C 3.46Å; M521-D525 PolarHBondContact O-N 3.33Å; M521-D525 VanDerWaalsContact O-O 3.07Å; M521-Y528 HydrophobicContact CE-CD1 4.41Å; M521-Y528 HydrophobicContact CE-CE1 4.36Å; M521-Y528 HydrophobicContact CG-CD1 3.98Å; M521-Y528 HydrophobicContact SD-CD1 4.08Å; M521-Y529 HydrophobicContact CB-CD2 4.23Å; M521-L532 HydrophobicContact CG-CD1 4.39Å; M521-V583 HydrophobicContact CE-CG1 4.41Å |
| 522 | E | 76.3 | Confident | 78.5 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 34% | 0.336 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -33.4 | 177.2 | -172 | -176.3 | -147.8 | 0 | 0 | 112.4 | T460 F519 D520 N526 Y529 | T460-E522 VanDerWaalsContact CG2-O 3.3Å; T460-E522 WeakPolarHBondContact CG2-O 3.36Å; F519-E522 WeakPolarHBondContact CE2-OE2 3.47Å; F519-E522 WeakPolarHBondContact CZ-OE2 3.34Å; F519-E522 WeakPolarHBondContact O-CB 3.29Å; F519-E522 PolarHBondContact O-N 2.81Å; D520-E522 PolarHBondContact O-N 3.25Å; E522-N526 WeakPolarHBondContact CG-ND2 3.4Å; E522-Y529 HydrophobicContact CB-CD1 3.75Å; E522-Y529 HydrophobicContact CB-CD2 4.12Å; E522-Y529 HydrophobicContact CB-CE1 3.99Å; E522-Y529 HydrophobicContact CB-CE2 4.34Å; E522-Y529 HydrophobicContact CB-CG 3.81Å; E522-Y529 HydrophobicContact CG-CD1 3.83Å; E522-Y529 HydrophobicContact CG-CE1 3.98Å; E522-Y529 HydrophobicContact CG-CG 4.37Å |
| 523 | S | 65.5 | Low | 78.8 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.1 | 179 | 64.4 | 0 | 0 | 0 | 0 | 114.9 | T460 P506 D520 M521 | T460-S523 PolarHBondContact OG1-O 2.97Å; P506-S523 WeakPolarHBondContact CD-OG 3.37Å; D520-S523 PolarHBondContact O-N 3.11Å; D520-S523 PolarHBondContact O-OG 3.46Å; M521-S523 PolarHBondContact O-N 3.43Å; M521-S523 VanDerWaalsContact O-N 3.08Å |
| 524 | V | 69.2 | Low | 79.4 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -54.6 | 177.8 | 179.8 | 0 | 0 | 0 | 0 | 108 | A459 Q466 I504 P506 M521 | A459-V524 PolarHBondContact N-O 3.39Å; A459-V524 VanDerWaalsContact N-O 3.07Å; Q466-V524 VanDerWaalsContact OE1-CG1 3.26Å; I504-V524 HydrophobicContact CD1-CG2 3.86Å; P506-V524 HydrophobicContact CG-CG2 3.61Å; M521-V524 WeakPolarHBondContact O-CB 3.49Å; M521-V524 PolarHBondContact O-N 2.84Å; M521-V524 HydrophobicContact SD-CB 3.84Å; M521-V524 HydrophobicContact SD-CG1 3.98Å; M521-V524 HydrophobicContact SD-CG2 4.28Å |
| 525 | D | 70.1 | Confident | 79.9 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | trans | -151.5 | 108.1 | -179.8 | -174.9 | -25.7 | 0 | 0 | 0 | 108.9 | A459 M521 E527 Y528 Y529 | A459-D525 HydrophobicContact CB-CB 4.18Å; M521-D525 CarbonylContact O-C 3.46Å; M521-D525 PolarHBondContact O-N 3.33Å; M521-D525 VanDerWaalsContact O-O 3.07Å; D525-E527 VanDerWaalsContact C-N 3.34Å; D525-E527 PolarHBondContact OD1-N 2.71Å; D525-Y528 PolarHBondContact OD1-N 3.43Å; D525-Y529 VanDerWaalsContact O-CB 3.23Å; D525-Y529 WeakPolarHBondContact O-CB 3.46Å; D525-Y529 PolarHBondContact O-N 2.78Å | ||
| 526 | N | 74.7 | Confident | 80.6 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.9 | -34.7 | -178 | -170.6 | -97.4 | 0 | 0 | 0 | 111.7 | T460 E522 N530 | T460-N526 HydrophobicContact CG2-CB 3.72Å; T460-N526 VanDerWaalsContact CG2-N 3.26Å; E522-N526 WeakPolarHBondContact CG-ND2 3.4Å; N526-N530 WeakPolarHBondContact O-CB 3.42Å; N526-N530 PolarHBondContact O-N 3.28Å; N526-N530 PolarHBondContact O-ND2 2.81Å; N526-N530 PolarHBondContact OD1-ND2 3.33Å |
| 527 | E | 75.5 | Confident | 81 | Confident | 161 Ų | 161 | 59.4 Ų | 59.4 | 75% | 0.752 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71.5 | -45.9 | -179.5 | -173.7 | 172.5 | -175.5 | 0 | 0 | 110.4 | D525 Y529 N530 S531 | D525-E527 VanDerWaalsContact C-N 3.34Å; D525-E527 PolarHBondContact OD1-N 2.71Å; E527-Y529 VanDerWaalsContact C-N 3.34Å; E527-Y529 PolarHBondContact O-N 3.24Å; E527-N530 PolarHBondContact O-N 3.16Å; E527-S531 PolarHBondContact O-N 3.31Å |
| 528 | Y | 79.6 | Confident | 81.6 | Confident | 66 Ų | 66 | 59.9 Ų | 59.9 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.3 | -36.6 | 174.3 | -168.5 | -115.8 | 0 | 0 | 0 | 112.3 | M521 D525 S531 L532 L549 V583 | M521-Y528 HydrophobicContact CE-CD1 4.41Å; M521-Y528 HydrophobicContact CE-CE1 4.36Å; M521-Y528 HydrophobicContact CG-CD1 3.98Å; M521-Y528 HydrophobicContact SD-CD1 4.08Å; D525-Y528 PolarHBondContact OD1-N 3.43Å; Y528-S531 PolarHBondContact O-N 2.87Å; Y528-S531 PolarHBondContact O-OG 2.9Å; Y528-L532 HydrophobicContact CD1-CD1 3.95Å; Y528-L532 HydrophobicContact CD1-CG 4.42Å; Y528-L532 HydrophobicContact CE1-CD1 3.66Å; Y528-L532 HydrophobicContact CE1-CG 4.16Å; Y528-L532 WeakPolarHBondContact O-CG 3.25Å; Y528-L532 PolarHBondContact O-N 2.66Å; Y528-L549 WeakPolarHBondContact OH-CD2 3.4Å; Y528-V583 HydrophobicContact CE1-CG1 3.86Å |
| 529 | Y | 77.9 | Confident | 82 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 170.5 | 168.5 | -106.1 | 0 | 0 | 0 | 112.2 | L518 M521 E522 D525 E527 S531 L532 I533 | L518-Y529 HydrophobicContact CD1-CD2 4.1Å; L518-Y529 HydrophobicContact CD1-CE2 4.43Å; L518-Y529 HydrophobicContact CG-CD2 4.23Å; L518-Y529 HydrophobicContact CG-CE2 4.05Å; L518-Y529 VanDerWaalsContact O-CD2 3.24Å; L518-Y529 WeakPolarHBondContact O-CD2 3.34Å; L518-Y529 WeakPolarHBondContact O-CE2 3.34Å; M521-Y529 HydrophobicContact CB-CD2 4.23Å; E522-Y529 HydrophobicContact CB-CD1 3.75Å; E522-Y529 HydrophobicContact CB-CD2 4.12Å; E522-Y529 HydrophobicContact CB-CE1 3.99Å; E522-Y529 HydrophobicContact CB-CE2 4.34Å; E522-Y529 HydrophobicContact CB-CG 3.81Å; E522-Y529 HydrophobicContact CG-CD1 3.83Å; E522-Y529 HydrophobicContact CG-CE1 3.98Å; E522-Y529 HydrophobicContact CG-CG 4.37Å; D525-Y529 VanDerWaalsContact O-CB 3.23Å; D525-Y529 WeakPolarHBondContact O-CB 3.46Å; D525-Y529 PolarHBondContact O-N 2.78Å; E527-Y529 VanDerWaalsContact C-N 3.34Å; E527-Y529 PolarHBondContact O-N 3.24Å; Y529-S531 VanDerWaalsContact C-N 3.29Å; Y529-S531 PolarHBondContact O-N 3.37Å; Y529-L532 PolarHBondContact O-N 2.93Å; Y529-I533 HydrophobicContact CD1-CG1 4.37Å; Y529-I533 HydrophobicContact CD2-CG1 4.07Å; Y529-I533 HydrophobicContact CE1-CG1 3.95Å; Y529-I533 HydrophobicContact CE2-CD1 3.76Å; Y529-I533 HydrophobicContact CE2-CG1 3.61Å; Y529-I533 HydrophobicContact CG-CG1 4.44Å; Y529-I533 VanDerWaalsContact O-CG1 3.31Å; Y529-I533 WeakPolarHBondContact O-CG1 3.34Å; Y529-I533 PolarHBondContact O-N 3.4Å |
| 530 | N | 83.9 | Confident | 82.4 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 178.3 | -69.3 | -35.3 | 0 | 0 | 0 | 111.8 | N526 E527 I533 Y534 | N526-N530 WeakPolarHBondContact O-CB 3.42Å; N526-N530 PolarHBondContact O-N 3.28Å; N526-N530 PolarHBondContact O-ND2 2.81Å; N526-N530 PolarHBondContact OD1-ND2 3.33Å; E527-N530 PolarHBondContact O-N 3.16Å; N530-I533 PolarHBondContact O-N 2.99Å; N530-Y534 PolarHBondContact O-N 2.97Å |
| 531 | S | 86.7 | Confident | 82.6 | Confident | 53 Ų | 53 | 59.8 Ų | 59.8 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 175.6 | 80.5 | 0 | 0 | 0 | 0 | 111.9 | E527 Y528 Y529 Y534 V535 | E527-S531 PolarHBondContact O-N 3.31Å; Y528-S531 PolarHBondContact O-N 2.87Å; Y528-S531 PolarHBondContact O-OG 2.9Å; Y529-S531 VanDerWaalsContact C-N 3.29Å; Y529-S531 PolarHBondContact O-N 3.37Å; S531-Y534 WeakPolarHBondContact O-CB 2.95Å; S531-Y534 PolarHBondContact O-N 3.24Å; S531-V535 WeakPolarHBondContact O-CG2 3.39Å; S531-V535 PolarHBondContact O-N 3.21Å |
| 532 | L | 87.9 | Confident | 83.1 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 175.1 | -69.4 | 177 | 0 | 0 | 0 | 112.6 | L518 M521 Y528 Y529 Y534 V535 K536 Y579 V583 | L518-L532 HydrophobicContact CD1-CB 3.52Å; L518-L532 HydrophobicContact CD1-CD1 3.63Å; L518-L532 HydrophobicContact CD1-CG 4.25Å; M521-L532 HydrophobicContact CG-CD1 4.39Å; Y528-L532 HydrophobicContact CD1-CD1 3.95Å; Y528-L532 HydrophobicContact CD1-CG 4.42Å; Y528-L532 HydrophobicContact CE1-CD1 3.66Å; Y528-L532 HydrophobicContact CE1-CG 4.16Å; Y528-L532 WeakPolarHBondContact O-CG 3.25Å; Y528-L532 PolarHBondContact O-N 2.66Å; Y529-L532 PolarHBondContact O-N 2.93Å; L532-Y534 VanDerWaalsContact C-N 3.32Å; L532-V535 PolarHBondContact O-N 3.14Å; L532-K536 VanDerWaalsContact O-CB 3.32Å; L532-K536 WeakPolarHBondContact O-CB 3.03Å; L532-K536 PolarHBondContact O-N 3.38Å; L532-Y579 HydrophobicContact CD2-CE1 4.18Å; L532-V583 HydrophobicContact CD1-CG1 4.07Å |
| 533 | I | 88.8 | Confident | 83.7 | Confident | 42 Ų | 42 | 66 Ų | 66 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 171.4 | -70.4 | -71.1 | 0 | 0 | 0 | 110.4 | L518 Y529 N530 K536 D537 | L518-I533 HydrophobicContact CD2-CD1 3.64Å; L518-I533 HydrophobicContact CD2-CG1 4.33Å; L518-I533 HydrophobicContact CG-CD1 4.22Å; Y529-I533 HydrophobicContact CD1-CG1 4.37Å; Y529-I533 HydrophobicContact CD2-CG1 4.07Å; Y529-I533 HydrophobicContact CE1-CG1 3.95Å; Y529-I533 HydrophobicContact CE2-CD1 3.76Å; Y529-I533 HydrophobicContact CE2-CG1 3.61Å; Y529-I533 HydrophobicContact CG-CG1 4.44Å; Y529-I533 VanDerWaalsContact O-CG1 3.31Å; Y529-I533 WeakPolarHBondContact O-CG1 3.34Å; Y529-I533 PolarHBondContact O-N 3.4Å; N530-I533 PolarHBondContact O-N 2.99Å; I533-K536 WeakPolarHBondContact O-CB 3.44Å; I533-K536 PolarHBondContact O-N 2.96Å; I533-D537 WeakPolarHBondContact O-CB 3.49Å; I533-D537 PolarHBondContact O-N 2.92Å |
| 534 | Y | 89.4 | Confident | 84.8 | Confident | 124 Ų | 124 | 72.9 Ų | 72.9 | 49% | 0.486 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 174.7 | -176.7 | -89.2 | 0 | 0 | 0 | 111.8 | N530 S531 L532 K536 D537 N538 L543 | N530-Y534 PolarHBondContact O-N 2.97Å; S531-Y534 WeakPolarHBondContact O-CB 2.95Å; S531-Y534 PolarHBondContact O-N 3.24Å; L532-Y534 VanDerWaalsContact C-N 3.32Å; Y534-K536 VanDerWaalsContact C-N 3.26Å; Y534-K536 PolarHBondContact O-N 2.98Å; Y534-D537 PolarHBondContact O-N 3.02Å; Y534-N538 WeakPolarHBondContact CD2-ND2 3.45Å; Y534-N538 HydrophobicContact CE1-CB 4.22Å; Y534-N538 WeakPolarHBondContact O-CB 3.46Å; Y534-N538 PolarHBondContact O-N 3.24Å; Y534-N538 PolarHBondContact O-ND2 3.33Å; Y534-L543 HydrophobicContact CD1-CD1 4.12Å; Y534-L543 HydrophobicContact CE1-CD1 4.18Å; Y534-L543 HydrophobicContact CE1-CD2 4.28Å |
| 535 | V | 90.9 | Very high | 85.9 | Confident | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.7 | -42.2 | 173.8 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | S531 L532 P540 L543 L545 K576 Y579 I580 | S531-V535 WeakPolarHBondContact O-CG2 3.39Å; S531-V535 PolarHBondContact O-N 3.21Å; L532-V535 PolarHBondContact O-N 3.14Å; V535-P540 HydrophobicContact CG1-CB 4.1Å; V535-P540 HydrophobicContact CG1-CG 4.38Å; V535-L543 HydrophobicContact CG2-CD1 3.69Å; V535-L545 HydrophobicContact CG2-CD1 3.73Å; V535-K576 HydrophobicContact CG1-CB 4.21Å; V535-K576 WeakPolarHBondContact O-CD 3.36Å; V535-Y579 HydrophobicContact CG1-CD1 4.41Å; V535-I580 HydrophobicContact CG1-CD1 4.35Å; V535-I580 HydrophobicContact CG1-CG1 4.49Å |
| 536 | K | 90 | Very high | 87 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 39% | 0.391 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 179.7 | -170.5 | 178.3 | 141.3 | -72.8 | 0 | 112.2 | L518 L532 I533 Y534 K576 I580 | L518-K536 HydrophobicContact CD2-CD 3.78Å; L532-K536 VanDerWaalsContact O-CB 3.32Å; L532-K536 WeakPolarHBondContact O-CB 3.03Å; L532-K536 PolarHBondContact O-N 3.38Å; I533-K536 WeakPolarHBondContact O-CB 3.44Å; I533-K536 PolarHBondContact O-N 2.96Å; Y534-K536 VanDerWaalsContact C-N 3.26Å; Y534-K536 PolarHBondContact O-N 2.98Å; K536-K576 WeakPolarHBondContact O-CE 3.47Å; K536-K576 PolarHBondContact O-NZ 3.22Å; K536-I580 HydrophobicContact CB-CD1 3.57Å; K536-I580 HydrophobicContact CG-CD1 3.96Å |
| 537 | D | 92.3 | Very high | 87.9 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -93.9 | -8.2 | -168.8 | -65.7 | -10.6 | 0 | 0 | 0 | 113.6 | I533 Y534 | I533-D537 WeakPolarHBondContact O-CB 3.49Å; I533-D537 PolarHBondContact O-N 2.92Å; Y534-D537 PolarHBondContact O-N 3.02Å |
| 538 | N | 93.2 | Very high | 88.6 | Confident | 68 Ų | 68 | 63.2 Ų | 63.2 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -129 | 171.1 | 179.8 | -56.9 | -88.4 | 0 | 0 | 0 | 111.8 | Y534 P540 K576 | Y534-N538 WeakPolarHBondContact CD2-ND2 3.45Å; Y534-N538 HydrophobicContact CE1-CB 4.22Å; Y534-N538 WeakPolarHBondContact O-CB 3.46Å; Y534-N538 PolarHBondContact O-N 3.24Å; Y534-N538 PolarHBondContact O-ND2 3.33Å; N538-P540 WeakPolarHBondContact O-CD 3.45Å; N538-K576 PolarHBondContact O-NZ 3.4Å |
| 539 | D | 90.8 | Very high | 88.8 | Confident | 92 Ų | 92 | 62.3 Ų | 62.3 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | trans | -76.1 | 117.6 | 170.6 | -173.2 | -11.1 | 0 | 0 | 0 | 109.7 | A541 E573 | D539-A541 VanDerWaalsContact C-N 3.27Å; D539-A541 PolarHBondContact O-N 2.92Å; D539-A541 VanDerWaalsContact OD1-CB 3.25Å; D539-A541 WeakPolarHBondContact OD1-CB 3.31Å; D539-A541 PolarHBondContact OD1-N 3.49Å; D539-E573 VanDerWaalsContact CA-OE2 3.28Å; D539-E573 WeakPolarHBondContact CA-OE2 3.29Å | ||
| 540 | P | 89.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -83 | 4 | -178.8 | 34.9 | -35.9 | 0 | 0 | 0 | 113.7 | V535 N538 D542 L543 V571 K576 | V535-P540 HydrophobicContact CG1-CB 4.1Å; V535-P540 HydrophobicContact CG1-CG 4.38Å; N538-P540 WeakPolarHBondContact O-CD 3.45Å; P540-D542 PolarHBondContact O-N 2.93Å; P540-D542 VanDerWaalsContact O-N 3.16Å; P540-L543 HydrophobicContact CB-CD1 3.98Å; P540-L543 WeakPolarHBondContact O-CB 3.2Å; P540-L543 PolarHBondContact O-N 2.95Å; P540-V571 HydrophobicContact CB-CG1 4.31Å; P540-V571 HydrophobicContact CG-CB 4.5Å; P540-V571 HydrophobicContact CG-CG1 3.81Å; P540-K576 HydrophobicContact CG-CB 4.12Å |
| 541 | A | 85.6 | Confident | 88.2 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -53.5 | -37.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D539 L543 | D539-A541 VanDerWaalsContact C-N 3.27Å; D539-A541 PolarHBondContact O-N 2.92Å; D539-A541 VanDerWaalsContact OD1-CB 3.25Å; D539-A541 WeakPolarHBondContact OD1-CB 3.31Å; D539-A541 PolarHBondContact OD1-N 3.49Å; A541-L543 VanDerWaalsContact C-N 3.29Å; A541-L543 PolarHBondContact O-N 3.42Å |
| 542 | D | 87 | Confident | 87.2 | Confident | 159 Ų | 159 | 66.3 Ų | 66.3 | 85% | 0.85 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -78.3 | -9.7 | 179 | -69.6 | -21.9 | 0 | 0 | 0 | 113.6 | P540 E544 | P540-D542 PolarHBondContact O-N 2.93Å; P540-D542 VanDerWaalsContact O-N 3.16Å; D542-E544 VanDerWaalsContact C-N 3.31Å |
| 543 | L | 88.8 | Confident | 85.9 | Confident | 72 Ų | 72 | 67.2 Ų | 67.2 | 38% | 0.377 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -84.6 | -6.4 | 179.1 | -58.2 | 176.5 | 0 | 0 | 0 | 112.8 | Y534 V535 P540 A541 L545 | Y534-L543 HydrophobicContact CD1-CD1 4.12Å; Y534-L543 HydrophobicContact CE1-CD1 4.18Å; Y534-L543 HydrophobicContact CE1-CD2 4.28Å; V535-L543 HydrophobicContact CG2-CD1 3.69Å; P540-L543 HydrophobicContact CB-CD1 3.98Å; P540-L543 WeakPolarHBondContact O-CB 3.2Å; P540-L543 PolarHBondContact O-N 2.95Å; A541-L543 VanDerWaalsContact C-N 3.29Å; A541-L543 PolarHBondContact O-N 3.42Å; L543-L545 HydrophobicContact CB-CD1 4.01Å; L543-L545 HydrophobicContact CB-CG 3.77Å; L543-L545 HydrophobicContact CD1-CD1 4.01Å; L543-L545 PolarHBondContact O-N 3.11Å |
| 544 | E | 89 | Confident | 84.8 | Confident | 178 Ų | 178 | 72.4 Ų | 72.4 | 83% | 0.832 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 28.6 | -179.7 | -59 | -172.9 | 162.5 | 0 | 0 | 113.9 | D542 | D542-E544 VanDerWaalsContact C-N 3.31Š|
| 545 | L | 92.3 | Very high | 83.9 | Confident | 51 Ų | 51 | 70 Ų | 70 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | trans | -72.6 | 149 | 180 | -62.7 | 175 | 0 | 0 | 0 | 111 | V535 L543 P570 V571 Y579 | V535-L545 HydrophobicContact CG2-CD1 3.73Å; L543-L545 HydrophobicContact CB-CD1 4.01Å; L543-L545 HydrophobicContact CB-CG 3.77Å; L543-L545 HydrophobicContact CD1-CD1 4.01Å; L543-L545 PolarHBondContact O-N 3.11Å; L545-P570 WeakPolarHBondContact O-CA 3.48Å; L545-V571 HydrophobicContact CB-CB 3.88Å; L545-V571 HydrophobicContact CB-CG2 3.66Å; L545-V571 PolarHBondContact O-N 3.02Å; L545-Y579 HydrophobicContact CD1-CE1 4.41Å | ||
| 546 | T | 93.7 | Very high | 83 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 25% | 0.245 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -124.6 | 171 | 168.8 | 61.3 | 0 | 0 | 0 | 0 | 109.8 | S548 V569 Y579 | T546-S548 PolarHBondContact O-N 3.43Å; T546-S548 PolarHBondContact OG1-OG 3.04Å; T546-V569 CarbonylContact C-O 3.46Å; T546-V569 WeakPolarHBondContact CA-O 3.44Å; T546-V569 WeakPolarHBondContact CB-O 3.42Å; T546-Y579 WeakPolarHBondContact O-CE2 3.18Å |
| 547 | F | 93.8 | Very high | 82.4 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 0% | 0.004 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -74.2 | 48 | 171.8 | -80.4 | -113.3 | 0 | 0 | 0 | 111.8 | L562 I563 G566 V569 V571 N575 E578 Y579 | F547-L562 HydrophobicContact CB-CB 4.47Å; F547-L562 WeakPolarHBondContact O-CB 3.46Å; F547-L562 PolarHBondContact O-N 3.09Å; F547-I563 HydrophobicContact CB-CD1 3.85Å; F547-I563 HydrophobicContact CB-CG1 3.75Å; F547-I563 HydrophobicContact CD1-CD1 3.55Å; F547-I563 HydrophobicContact CD1-CG1 3.95Å; F547-I563 HydrophobicContact CD1-CG2 3.97Å; F547-I563 HydrophobicContact CD2-CD1 4.49Å; F547-I563 HydrophobicContact CE1-CD1 4.16Å; F547-I563 HydrophobicContact CG-CD1 3.73Å; F547-I563 HydrophobicContact CG-CG1 4.12Å; F547-G566 CarbonylContact C-O 3.52Å; F547-G566 WeakPolarHBondContact CA-O 3.35Å; F547-G566 PolarHBondContact N-O 2.83Å; F547-G566 CarbonylContact O-C 3.4Å; F547-G566 VanDerWaalsContact O-CA 3.3Å; F547-G566 WeakPolarHBondContact O-CA 3.34Å; F547-V569 HydrophobicContact CB-CB 4.35Å; F547-V569 HydrophobicContact CD2-CB 4.14Å; F547-V569 HydrophobicContact CD2-CG1 3.72Å; F547-V569 HydrophobicContact CE2-CG1 4.09Å; F547-V569 HydrophobicContact CG-CB 4.5Å; F547-V569 HydrophobicContact CG-CG1 4.36Å; F547-V569 PolarHBondContact N-O 3.32Å; F547-V571 HydrophobicContact CD2-CG2 4.03Å; F547-V571 HydrophobicContact CE2-CG2 4.13Å; F547-N575 HydrophobicContact CE2-CB 4.34Å; F547-N575 WeakPolarHBondContact CE2-ND2 3.15Å; F547-N575 HydrophobicContact CZ-CB 4.22Å; F547-E578 HydrophobicContact CE1-CB 4.22Å; F547-E578 HydrophobicContact CE1-CG 4.03Å; F547-E578 HydrophobicContact CZ-CB 4.13Å; F547-E578 HydrophobicContact CZ-CG 4.35Å; F547-Y579 HydrophobicContact CD1-CD2 4.28Å; F547-Y579 HydrophobicContact CD2-CD2 4.24Å; F547-Y579 VanDerWaalsContact CE1-CA 3.45Å; F547-Y579 HydrophobicContact CE2-CD2 4.47Å; F547-Y579 HydrophobicContact CG-CD2 4.15Å |
| 548 | S | 90.2 | Very high | 81.7 | Confident | 13 Ų | 13 | 76.5 Ų | 76.5 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 158.2 | 171.7 | 68.9 | 0 | 0 | 0 | 0 | 110.1 | T546 N559 I560 | T546-S548 PolarHBondContact O-N 3.43Å; T546-S548 PolarHBondContact OG1-OG 3.04Å; S548-N559 VanDerWaalsContact CB-OD1 3.24Å; S548-N559 WeakPolarHBondContact CB-OD1 3.45Å; S548-N559 PolarHBondContact OG-ND2 3.37Å; S548-N559 PolarHBondContact OG-OD1 2.82Å; S548-I560 CarbonylContact C-O 2.88Å; S548-I560 WeakPolarHBondContact CA-O 3.15Å |
| 549 | L | 83.2 | Confident | 81.3 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 25% | 0.246 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.2 | 176.1 | -62.5 | 177.4 | 0 | 0 | 0 | 109 | Y528 N559 I560 L562 V583 | Y528-L549 WeakPolarHBondContact OH-CD2 3.4Å; L549-N559 CarbonylContact O-C 3.18Å; L549-N559 WeakPolarHBondContact O-CA 3.35Å; L549-I560 PolarHBondContact N-O 3.06Å; L549-I560 PolarHBondContact O-N 2.84Å; L549-L562 HydrophobicContact CD1-CD2 3.64Å; L549-L562 HydrophobicContact CD1-CG 4.45Å; L549-L562 HydrophobicContact CD2-CD1 4.42Å; L549-L562 HydrophobicContact CG-CD1 4.2Å; L549-L562 HydrophobicContact CG-CD2 3.84Å; L549-L562 HydrophobicContact CG-CG 4.13Å; L549-V583 HydrophobicContact CD2-CG2 4.46Å |
| 550 | D | 80.2 | Confident | 80.9 | Confident | 119 Ų | 119 | 76.3 Ų | 76.3 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114.7 | 170.6 | -73.7 | -19.3 | 0 | 0 | 0 | 109.1 | T557 N559 | D550-T557 HydrophobicContact CB-CG2 3.74Å; D550-N559 PolarHBondContact OD1-ND2 2.82Å |
| 551 | D | 69.1 | Low | 80.9 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 26% | 0.262 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126 | 179.7 | -167.4 | 7.5 | 0 | 0 | 0 | 110.1 | H470 I553 T557 Q558 I560 | H470-D551 IonicContact CE1-OD2 3.79Å; H470-D551 PolarHBondContact CE1-OD2 3.31Å; H470-D551 VanDerWaalsContact CE1-OD2 3.32Å; H470-D551 IonicContact NE2-OD1 3.25Å; H470-D551 IonicContact NE2-OD2 3.32Å; D551-I553 HydrophobicContact CB-CD1 4.43Å; D551-I553 HydrophobicContact CB-CG1 4.27Å; D551-I553 PolarHBondContact O-N 2.97Å; D551-T557 CarbonylContact O-C 3.55Å; D551-T557 WeakPolarHBondContact O-CA 3.45Å; D551-Q558 PolarHBondContact N-O 3.3Å; D551-Q558 PolarHBondContact O-N 2.81Å; D551-I560 HydrophobicContact CB-CD1 3.65Å; D551-I560 HydrophobicContact CB-CG1 4.31Å |
| 552 | S | 65.6 | Low | 81 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 96.5 | -176.2 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 553 | I | 61.3 | Low | 81.1 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 11% | 0.113 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.2 | -172.1 | -44.1 | -178 | 0 | 0 | 0 | 109.5 | H470 D551 G555 E556 Q558 | H470-I553 HydrophobicContact CB-CG2 4.49Å; H470-I553 WeakPolarHBondContact CE1-CD1 3.43Å; H470-I553 WeakPolarHBondContact CE1-CG1 3.47Å; D551-I553 HydrophobicContact CB-CD1 4.43Å; D551-I553 HydrophobicContact CB-CG1 4.27Å; D551-I553 PolarHBondContact O-N 2.97Å; I553-G555 PolarHBondContact O-N 3.49Å; I553-G555 VanDerWaalsContact O-N 3.09Å; I553-E556 PolarHBondContact N-O 2.87Å; I553-E556 PolarHBondContact O-N 2.89Å; I553-Q558 HydrophobicContact CD1-CG 4.45Å |
| 554 | F | 65.1 | Low | 81.2 | Confident | 152 Ų | 152 | 76.8 Ų | 76.8 | 67% | 0.667 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 27.4 | -177.9 | -58.5 | -71.2 | 0 | 0 | 0 | 115.3 | A473 | A473-F554 HydrophobicContact CB-CE2 3.38Å; A473-F554 HydrophobicContact CB-CZ 3.72Å |
| 555 | G | 69.2 | Low | 81.3 | Confident | 73 Ų | 73 | 72.8 Ų | 72.8 | 75% | 0.753 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | 2.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I553 | I553-G555 PolarHBondContact O-N 3.49Å; I553-G555 VanDerWaalsContact O-N 3.09Å |
| 556 | E | 72.4 | Confident | 81.3 | Confident | 139 Ų | 139 | 70.3 Ų | 70.3 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127 | 169.8 | -65.4 | -178.2 | 179 | 0 | 0 | 109.6 | I553 | I553-E556 PolarHBondContact N-O 2.87Å; I553-E556 PolarHBondContact O-N 2.89Å |
| 557 | T | 78.2 | Confident | 81.3 | Confident | 98 Ų | 98 | 70 Ų | 70 | 60% | 0.601 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121.8 | 172.1 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | D550 D551 | D550-T557 HydrophobicContact CB-CG2 3.74Å; D551-T557 CarbonylContact O-C 3.55Å; D551-T557 WeakPolarHBondContact O-CA 3.45Å |
| 558 | Q | 77.5 | Confident | 81.3 | Confident | 94 Ų | 94 | 75.5 Ų | 75.5 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.5 | 173.8 | -63.4 | -173.1 | 35.5 | 0 | 0 | 109.7 | D551 I553 | D551-Q558 PolarHBondContact N-O 3.3Å; D551-Q558 PolarHBondContact O-N 2.81Å; I553-Q558 HydrophobicContact CD1-CG 4.45Å |
| 559 | N | 84.6 | Confident | 81.5 | Confident | 81 Ų | 81 | 77 Ų | 77 | 43% | 0.433 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117.9 | 174.6 | -172.6 | -90.9 | 0 | 0 | 0 | 109.6 | S548 L549 D550 | S548-N559 VanDerWaalsContact CB-OD1 3.24Å; S548-N559 WeakPolarHBondContact CB-OD1 3.45Å; S548-N559 PolarHBondContact OG-ND2 3.37Å; S548-N559 PolarHBondContact OG-OD1 2.82Å; L549-N559 CarbonylContact O-C 3.18Å; L549-N559 WeakPolarHBondContact O-CA 3.35Å; D550-N559 PolarHBondContact OD1-ND2 2.82Å |
| 560 | I | 82.4 | Confident | 82.1 | Confident | 75 Ų | 75 | 78.3 Ų | 78.3 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.9 | -178.8 | -56.9 | 176.9 | 0 | 0 | 0 | 108.5 | S548 L549 D551 L562 | S548-I560 CarbonylContact C-O 2.88Å; S548-I560 WeakPolarHBondContact CA-O 3.15Å; L549-I560 PolarHBondContact N-O 3.06Å; L549-I560 PolarHBondContact O-N 2.84Å; D551-I560 HydrophobicContact CB-CD1 3.65Å; D551-I560 HydrophobicContact CB-CG1 4.31Å; I560-L562 PolarHBondContact O-N 3.09Å |
| 561 | E | 90.3 | Very high | 82.8 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 43% | 0.425 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 124.7 | 175.3 | -59.1 | -168.4 | 162.1 | 0 | 0 | 111.5 | I563 N565 G566 A567 | E561-I563 WeakPolarHBondContact CB-O 3.28Å; E561-N565 WeakPolarHBondContact OE2-CA 3.15Å; E561-N565 PolarHBondContact OE2-N 2.84Å; E561-G566 PolarHBondContact OE2-N 2.69Å; E561-A567 HydrophobicContact CG-CB 4.29Å |
| 562 | L | 86.4 | Confident | 83.9 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -74.9 | -31 | -180 | -65.7 | 177.8 | 0 | 0 | 0 | 112.8 | F547 L549 I560 Y579 A582 V583 | F547-L562 HydrophobicContact CB-CB 4.47Å; F547-L562 WeakPolarHBondContact O-CB 3.46Å; F547-L562 PolarHBondContact O-N 3.09Å; L549-L562 HydrophobicContact CD1-CD2 3.64Å; L549-L562 HydrophobicContact CD1-CG 4.45Å; L549-L562 HydrophobicContact CD2-CD1 4.42Å; L549-L562 HydrophobicContact CG-CD1 4.2Å; L549-L562 HydrophobicContact CG-CD2 3.84Å; L549-L562 HydrophobicContact CG-CG 4.13Å; I560-L562 PolarHBondContact O-N 3.09Å; L562-Y579 HydrophobicContact CD1-CD2 3.78Å; L562-Y579 HydrophobicContact CD1-CE2 3.52Å; L562-A582 HydrophobicContact CB-CB 4.12Å; L562-A582 HydrophobicContact CD1-CB 4.45Å; L562-V583 HydrophobicContact CD1-CG2 3.64Å; L562-V583 HydrophobicContact CD2-CG2 4.5Å |
| 563 | I | 89.1 | Confident | 85.2 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -131.2 | 160.5 | 174 | 65 | 179.4 | 0 | 0 | 0 | 108.2 | F547 E561 N565 G566 V569 | F547-I563 HydrophobicContact CB-CD1 3.85Å; F547-I563 HydrophobicContact CB-CG1 3.75Å; F547-I563 HydrophobicContact CD1-CD1 3.55Å; F547-I563 HydrophobicContact CD1-CG1 3.95Å; F547-I563 HydrophobicContact CD1-CG2 3.97Å; F547-I563 HydrophobicContact CD2-CD1 4.49Å; F547-I563 HydrophobicContact CE1-CD1 4.16Å; F547-I563 HydrophobicContact CG-CD1 3.73Å; F547-I563 HydrophobicContact CG-CG1 4.12Å; E561-I563 WeakPolarHBondContact CB-O 3.28Å; I563-N565 PolarHBondContact O-N 3.49Å; I563-G566 WeakPolarHBondContact O-CA 3.23Å; I563-G566 PolarHBondContact O-N 2.79Å; I563-V569 HydrophobicContact CD1-CB 4.38Å; I563-V569 HydrophobicContact CD1-CG1 4.36Å; I563-V569 HydrophobicContact CD1-CG2 4.23Å |
| 564 | P | 90.8 | Very high | 86.8 | Confident | 125 Ų | 125 | 79.9 Ų | 79.9 | 81% | 0.812 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 126.9 | 175.3 | -24.4 | 34.1 | 0 | 0 | 0 | 111.6 | G566 | P564-G566 PolarHBondContact O-N 2.79Š|
| 565 | N | 91.8 | Very high | 88.2 | Confident | 93 Ų | 93 | 74.1 Ų | 74.1 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 25.6 | -176.8 | -165.1 | 51.1 | 0 | 0 | 0 | 113.7 | E561 I563 A567 N568 | E561-N565 WeakPolarHBondContact OE2-CA 3.15Å; E561-N565 PolarHBondContact OE2-N 2.84Å; I563-N565 PolarHBondContact O-N 3.49Å; N565-A567 VanDerWaalsContact C-N 3.29Å; N565-A567 PolarHBondContact O-N 3.46Å; N565-N568 PolarHBondContact O-N 3.43Å; N565-N568 VanDerWaalsContact O-N 3.11Å; N565-N568 PolarHBondContact OD1-ND2 3.47Å |
| 566 | G | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -64.1 | -27.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F547 E561 I563 P564 N568 V569 | F547-G566 CarbonylContact C-O 3.52Å; F547-G566 WeakPolarHBondContact CA-O 3.35Å; F547-G566 PolarHBondContact N-O 2.83Å; F547-G566 CarbonylContact O-C 3.4Å; F547-G566 VanDerWaalsContact O-CA 3.3Å; F547-G566 WeakPolarHBondContact O-CA 3.34Å; E561-G566 PolarHBondContact OE2-N 2.69Å; I563-G566 WeakPolarHBondContact O-CA 3.23Å; I563-G566 PolarHBondContact O-N 2.79Å; P564-G566 PolarHBondContact O-N 2.79Å; G566-N568 PolarHBondContact O-N 3.19Å; G566-N568 VanDerWaalsContact O-N 3.11Å; G566-V569 PolarHBondContact O-N 3.08Å |
| 567 | A | 92.7 | Very high | 90.3 | Very high | 33 Ų | 33 | 72 Ų | 72 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -61.5 | -19.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E561 N565 | E561-A567 HydrophobicContact CG-CB 4.29Å; N565-A567 VanDerWaalsContact C-N 3.29Å; N565-A567 PolarHBondContact O-N 3.46Å |
| 568 | N | 94.2 | Very high | 90.9 | Very high | 117 Ų | 117 | 72.9 Ų | 72.9 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -102 | 3.1 | 177 | -67 | -55.6 | 0 | 0 | 0 | 113.4 | N565 G566 P570 | N565-N568 PolarHBondContact O-N 3.43Å; N565-N568 VanDerWaalsContact O-N 3.11Å; N565-N568 PolarHBondContact OD1-ND2 3.47Å; G566-N568 PolarHBondContact O-N 3.19Å; G566-N568 VanDerWaalsContact O-N 3.11Å; N568-P570 WeakPolarHBondContact O-CD 3.34Å |
| 569 | V | 95 | Very high | 91.5 | Very high | 44 Ų | 44 | 68.9 Ų | 68.9 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -107.4 | 104.4 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | T546 F547 I563 G566 | T546-V569 CarbonylContact C-O 3.46Å; T546-V569 WeakPolarHBondContact CA-O 3.44Å; T546-V569 WeakPolarHBondContact CB-O 3.42Å; F547-V569 HydrophobicContact CB-CB 4.35Å; F547-V569 HydrophobicContact CD2-CB 4.14Å; F547-V569 HydrophobicContact CD2-CG1 3.72Å; F547-V569 HydrophobicContact CE2-CG1 4.09Å; F547-V569 HydrophobicContact CG-CB 4.5Å; F547-V569 HydrophobicContact CG-CG1 4.36Å; F547-V569 PolarHBondContact N-O 3.32Å; I563-V569 HydrophobicContact CD1-CB 4.38Å; I563-V569 HydrophobicContact CD1-CG1 4.36Å; I563-V569 HydrophobicContact CD1-CG2 4.23Å; G566-V569 PolarHBondContact O-N 3.08Å |
| 570 | P | 94.7 | Very high | 91.7 | Very high | 75 Ų | 75 | 65.7 Ų | 65.7 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 146.8 | 177.2 | 27.9 | -33.6 | 0 | 0 | 0 | 111.1 | L545 N568 N575 | L545-P570 WeakPolarHBondContact O-CA 3.48Å; N568-P570 WeakPolarHBondContact O-CD 3.34Å; P570-N575 PolarHBondContact O-ND2 3.34Å |
| 571 | V | 94.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.024 | 36% | 0.359 | C | S | . | . | trans | -81.3 | 129.1 | 169.3 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | P540 L545 F547 N575 K576 Y579 | P540-V571 HydrophobicContact CB-CG1 4.31Å; P540-V571 HydrophobicContact CG-CB 4.5Å; P540-V571 HydrophobicContact CG-CG1 3.81Å; L545-V571 HydrophobicContact CB-CB 3.88Å; L545-V571 HydrophobicContact CB-CG2 3.66Å; L545-V571 PolarHBondContact O-N 3.02Å; F547-V571 HydrophobicContact CD2-CG2 4.03Å; F547-V571 HydrophobicContact CE2-CG2 4.13Å; V571-N575 WeakPolarHBondContact CA-OD1 3.34Å; V571-K576 HydrophobicContact CG1-CB 4.07Å; V571-Y579 HydrophobicContact CG1-CD1 4.2Å; V571-Y579 HydrophobicContact CG1-CG 4.02Å; V571-Y579 HydrophobicContact CG2-CD1 4.21Å; V571-Y579 HydrophobicContact CG2-CD2 3.45Å; V571-Y579 VanDerWaalsContact CG2-CD2 3.45Å; V571-Y579 HydrophobicContact CG2-CE2 3.85Å; V571-Y579 HydrophobicContact CG2-CG 3.65Å | ||
| 572 | T | 93.4 | Very high | 91.5 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 31% | 0.307 | 35% | 0.354 | S | S | . | . | trans | -133.8 | 165.5 | -173.7 | 62.4 | 0 | 0 | 0 | 0 | 108.6 | D574 N575 K576 | T572-D574 PolarHBondContact O-N 3.35Å; T572-D574 VanDerWaalsContact O-N 3.11Å; T572-N575 PolarHBondContact N-OD1 3.3Å; T572-N575 PolarHBondContact O-N 2.95Å; T572-N575 PolarHBondContact O-OD1 2.98Å; T572-N575 VanDerWaalsContact O-OD1 3.09Å; T572-N575 VanDerWaalsContact OG1-CG 3.26Å; T572-N575 PolarHBondContact OG1-N 3.43Å; T572-N575 PolarHBondContact OG1-OD1 3.22Å; T572-K576 WeakPolarHBondContact O-CB 3.46Å; T572-K576 PolarHBondContact O-N 3.35Å | ||
| 573 | E | 92.9 | Very high | 91.2 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.5 | 174.7 | -173.6 | 60.6 | -166.9 | 0 | 0 | 113.2 | D539 K576 | D539-E573 VanDerWaalsContact CA-OE2 3.28Å; D539-E573 WeakPolarHBondContact CA-OE2 3.29Å; E573-K576 VanDerWaalsContact OE1-CE 3.26Å; E573-K576 WeakPolarHBondContact OE1-CE 3.31Å; E573-K576 IonicContact OE1-NZ 2.79Å; E573-K576 PolarHBondContact OE1-NZ 2.58Å; E573-K576 WeakPolarHBondContact OE2-CE 3.31Å; E573-K576 IonicContact OE2-NZ 3.6Å; E573-K576 PolarHBondContact OE2-NZ 2.88Å |
| 574 | D | 94.2 | Very high | 90.3 | Very high | 163 Ų | 163 | 62.1 Ų | 62.1 | 87% | 0.872 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -28.8 | -177.5 | -70.7 | -31.4 | 0 | 0 | 0 | 113.9 | T572 | T572-D574 PolarHBondContact O-N 3.35Å; T572-D574 VanDerWaalsContact O-N 3.11Å |
| 575 | N | 94.5 | Very high | 88.7 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 17% | 0.166 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 1.8 | -174.3 | 70.2 | 1.6 | 0 | 0 | 0 | 114.3 | F547 P570 V571 T572 E577 E578 Y579 | F547-N575 HydrophobicContact CE2-CB 4.34Å; F547-N575 WeakPolarHBondContact CE2-ND2 3.15Å; F547-N575 HydrophobicContact CZ-CB 4.22Å; P570-N575 PolarHBondContact O-ND2 3.34Å; V571-N575 WeakPolarHBondContact CA-OD1 3.34Å; T572-N575 PolarHBondContact N-OD1 3.3Å; T572-N575 PolarHBondContact O-N 2.95Å; T572-N575 PolarHBondContact O-OD1 2.98Å; T572-N575 VanDerWaalsContact O-OD1 3.09Å; T572-N575 VanDerWaalsContact OG1-CG 3.26Å; T572-N575 PolarHBondContact OG1-N 3.43Å; T572-N575 PolarHBondContact OG1-OD1 3.22Å; N575-E577 PolarHBondContact O-N 2.62Å; N575-E578 WeakPolarHBondContact O-CB 3.34Å; N575-E578 PolarHBondContact O-N 3.44Å; N575-Y579 PolarHBondContact O-N 3.4Å |
| 576 | K | 93.8 | Very high | 86.3 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 8% | 0.078 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.4 | -32 | -179.7 | 63.6 | 175.4 | 173.3 | -176.4 | 0 | 114.5 | V535 K536 N538 P540 V571 T572 E573 Y579 I580 | V535-K576 HydrophobicContact CG1-CB 4.21Å; V535-K576 WeakPolarHBondContact O-CD 3.36Å; K536-K576 WeakPolarHBondContact O-CE 3.47Å; K536-K576 PolarHBondContact O-NZ 3.22Å; N538-K576 PolarHBondContact O-NZ 3.4Å; P540-K576 HydrophobicContact CG-CB 4.12Å; V571-K576 HydrophobicContact CG1-CB 4.07Å; T572-K576 WeakPolarHBondContact O-CB 3.46Å; T572-K576 PolarHBondContact O-N 3.35Å; E573-K576 VanDerWaalsContact OE1-CE 3.26Å; E573-K576 WeakPolarHBondContact OE1-CE 3.31Å; E573-K576 IonicContact OE1-NZ 2.79Å; E573-K576 PolarHBondContact OE1-NZ 2.58Å; E573-K576 WeakPolarHBondContact OE2-CE 3.31Å; E573-K576 IonicContact OE2-NZ 3.6Å; E573-K576 PolarHBondContact OE2-NZ 2.88Å; K576-Y579 WeakPolarHBondContact O-CB 3.28Å; K576-Y579 PolarHBondContact O-N 3.36Å; K576-I580 VanDerWaalsContact O-CG1 3.28Å; K576-I580 WeakPolarHBondContact O-CG1 3.41Å; K576-I580 PolarHBondContact O-N 2.83Å |
| 577 | E | 91.2 | Very high | 83.6 | Confident | 150 Ų | 150 | 64.4 Ų | 64.4 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.5 | -38.6 | 176.1 | -67.6 | -166.8 | 166.5 | 0 | 0 | 111.6 | N575 I580 E581 | N575-E577 PolarHBondContact O-N 2.62Å; E577-I580 PolarHBondContact O-N 3.15Å; E577-E581 WeakPolarHBondContact O-CB 3.27Å; E577-E581 PolarHBondContact O-N 3.32Å |
| 578 | E | 91.3 | Very high | 80.9 | Confident | 116 Ų | 116 | 69.6 Ų | 69.6 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | 175.8 | -170.3 | -179.2 | 179.2 | 0 | 0 | 110.8 | F547 N575 E581 A582 | F547-E578 HydrophobicContact CE1-CB 4.22Å; F547-E578 HydrophobicContact CE1-CG 4.03Å; F547-E578 HydrophobicContact CZ-CB 4.13Å; F547-E578 HydrophobicContact CZ-CG 4.35Å; N575-E578 WeakPolarHBondContact O-CB 3.34Å; N575-E578 PolarHBondContact O-N 3.44Å; E578-E581 PolarHBondContact O-N 3.08Å; E578-A582 VanDerWaalsContact O-CB 3.27Å; E578-A582 WeakPolarHBondContact O-CB 3.32Å; E578-A582 PolarHBondContact O-N 3.06Å |
| 579 | Y | 91.1 | Very high | 77.8 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 4% | 0.035 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.5 | -51 | 172.4 | 175.4 | -102.9 | 0 | 0 | 0 | 111.2 | L532 V535 L545 T546 F547 L562 V571 N575 K576 E581 A582 V583 | L532-Y579 HydrophobicContact CD2-CE1 4.18Å; V535-Y579 HydrophobicContact CG1-CD1 4.41Å; L545-Y579 HydrophobicContact CD1-CE1 4.41Å; T546-Y579 WeakPolarHBondContact O-CE2 3.18Å; F547-Y579 HydrophobicContact CD1-CD2 4.28Å; F547-Y579 HydrophobicContact CD2-CD2 4.24Å; F547-Y579 VanDerWaalsContact CE1-CA 3.45Å; F547-Y579 HydrophobicContact CE2-CD2 4.47Å; F547-Y579 HydrophobicContact CG-CD2 4.15Å; L562-Y579 HydrophobicContact CD1-CD2 3.78Å; L562-Y579 HydrophobicContact CD1-CE2 3.52Å; V571-Y579 HydrophobicContact CG1-CD1 4.2Å; V571-Y579 HydrophobicContact CG1-CG 4.02Å; V571-Y579 HydrophobicContact CG2-CD1 4.21Å; V571-Y579 HydrophobicContact CG2-CD2 3.45Å; V571-Y579 VanDerWaalsContact CG2-CD2 3.45Å; V571-Y579 HydrophobicContact CG2-CE2 3.85Å; V571-Y579 HydrophobicContact CG2-CG 3.65Å; N575-Y579 PolarHBondContact O-N 3.4Å; K576-Y579 WeakPolarHBondContact O-CB 3.28Å; K576-Y579 PolarHBondContact O-N 3.36Å; Y579-E581 VanDerWaalsContact C-N 3.33Å; Y579-E581 PolarHBondContact O-N 3.32Å; Y579-A582 PolarHBondContact O-N 3.38Å; Y579-V583 HydrophobicContact CE1-CG2 4.26Å; Y579-V583 HydrophobicContact CE2-CG2 4.36Å; Y579-V583 WeakPolarHBondContact O-CG2 3.33Å; Y579-V583 PolarHBondContact O-N 3.37Å |
| 580 | I | 87.4 | Confident | 75.6 | Confident | 15 Ų | 15 | 77.5 Ų | 77.5 | 8% | 0.077 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 178.5 | -67.7 | 163.6 | 0 | 0 | 0 | 111.2 | L518 V535 K536 K576 E577 V583 V584 | L518-I580 HydrophobicContact CB-CG2 4.36Å; L518-I580 HydrophobicContact CD1-CG2 4.28Å; L518-I580 HydrophobicContact CD2-CG2 4.14Å; L518-I580 HydrophobicContact CG-CG2 4.49Å; V535-I580 HydrophobicContact CG1-CD1 4.35Å; V535-I580 HydrophobicContact CG1-CG1 4.49Å; K536-I580 HydrophobicContact CB-CD1 3.57Å; K536-I580 HydrophobicContact CG-CD1 3.96Å; K576-I580 VanDerWaalsContact O-CG1 3.28Å; K576-I580 WeakPolarHBondContact O-CG1 3.41Å; K576-I580 PolarHBondContact O-N 2.83Å; E577-I580 PolarHBondContact O-N 3.15Å; I580-V583 PolarHBondContact O-N 3.04Å; I580-V584 WeakPolarHBondContact O-CG2 2.95Å; I580-V584 PolarHBondContact O-N 2.96Å |
| 581 | E | 84.7 | Confident | 73.6 | Confident | 107 Ų | 107 | 78.6 Ų | 78.6 | 50% | 0.5 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 176.9 | -175.2 | 161.3 | -140.3 | 0 | 0 | 112.1 | K515 E577 E578 Y579 V583 V584 | K515-E581 IonicContact NZ-OE1 2.69Å; K515-E581 PolarHBondContact NZ-OE1 2.95Å; E577-E581 WeakPolarHBondContact O-CB 3.27Å; E577-E581 PolarHBondContact O-N 3.32Å; E578-E581 PolarHBondContact O-N 3.08Å; Y579-E581 VanDerWaalsContact C-N 3.33Å; Y579-E581 PolarHBondContact O-N 3.32Å; E581-V583 VanDerWaalsContact C-N 3.31Å; E581-V583 PolarHBondContact O-N 3.49Å; E581-V584 CarbonylContact O-C 3.59Å; E581-V584 PolarHBondContact O-N 3.46Å; E581-V584 VanDerWaalsContact O-N 3.1Å |
| 582 | A | 84 | Confident | 71.7 | Confident | 40 Ų | 40 | 79.2 Ų | 79.2 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.5 | -33.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L562 E578 Y579 V584 | L562-A582 HydrophobicContact CB-CB 4.12Å; L562-A582 HydrophobicContact CD1-CB 4.45Å; E578-A582 VanDerWaalsContact O-CB 3.27Å; E578-A582 WeakPolarHBondContact O-CB 3.32Å; E578-A582 PolarHBondContact O-N 3.06Å; Y579-A582 PolarHBondContact O-N 3.38Å; A582-V584 VanDerWaalsContact C-N 3.27Å; A582-V584 PolarHBondContact O-N 2.99Å |
| 583 | V | 80.4 | Confident | 70.4 | Confident | 19 Ų | 19 | 78.9 Ų | 78.9 | 12% | 0.115 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.1 | -26 | 172.2 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | M521 Y528 L532 L549 L562 Y579 I580 E581 | M521-V583 HydrophobicContact CE-CG1 4.41Å; Y528-V583 HydrophobicContact CE1-CG1 3.86Å; L532-V583 HydrophobicContact CD1-CG1 4.07Å; L549-V583 HydrophobicContact CD2-CG2 4.46Å; L562-V583 HydrophobicContact CD1-CG2 3.64Å; L562-V583 HydrophobicContact CD2-CG2 4.5Å; Y579-V583 HydrophobicContact CE1-CG2 4.26Å; Y579-V583 HydrophobicContact CE2-CG2 4.36Å; Y579-V583 WeakPolarHBondContact O-CG2 3.33Å; Y579-V583 PolarHBondContact O-N 3.37Å; I580-V583 PolarHBondContact O-N 3.04Å; E581-V583 VanDerWaalsContact C-N 3.31Å; E581-V583 PolarHBondContact O-N 3.49Å |
| 584 | V | 70.5 | Confident | 69.1 | Low | 8 Ų | 8 | 74.8 Ų | 74.8 | 5% | 0.048 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -110.4 | 108.5 | -172.7 | -177.1 | 0 | 0 | 0 | 0 | 112.4 | I516 I580 E581 A582 | I516-V584 HydrophobicContact CB-CG1 3.9Å; I516-V584 HydrophobicContact CG2-CG1 3.82Å; I516-V584 WeakPolarHBondContact O-CG1 3.26Å; I580-V584 WeakPolarHBondContact O-CG2 2.95Å; I580-V584 PolarHBondContact O-N 2.96Å; E581-V584 CarbonylContact O-C 3.59Å; E581-V584 PolarHBondContact O-N 3.46Å; E581-V584 VanDerWaalsContact O-N 3.1Å; A582-V584 VanDerWaalsContact C-N 3.27Å; A582-V584 PolarHBondContact O-N 2.99Å |
| 585 | P | 56.3 | Low | 67.8 | Low | 84 Ų | 84 | 69.9 Ų | 69.9 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | trans | -70.2 | 153.2 | -171.1 | 24.5 | -32 | 0 | 0 | 0 | 115.4 | I516 | I516-P585 WeakPolarHBondContact CB-O 3.18Š| ||
| 586 | S | 41.4 | Very low | 66.5 | Low | 78 Ų | 78 | 68.7 Ų | 68.7 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | trans | -123.2 | 131.2 | -164.6 | 67 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 587 | N | 37.1 | Very low | 65.6 | Low | 103 Ų | 103 | 68.6 Ų | 68.6 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | trans | 102.2 | 143.9 | 136.1 | -58.7 | -29.9 | 0 | 0 | 0 | 125.4 | G513 | G513-N587 CarbonylContact O-C 3.54Š| ||
| 588 | L | 36.2 | Very low | 64.7 | Low | 142 Ų | 142 | 63.8 Ų | 63.8 | 74% | 0.743 | 33% | 0.333 | S | S | * | . | trans | 110.9 | 116.9 | 161.8 | -72.1 | 161.5 | 0 | 0 | 0 | 124.3 | G513 | G513-L588 VanDerWaalsContact C-C 3.48Å; G513-L588 CarbonylContact C-O 3.48Å; G513-L588 WeakPolarHBondContact CA-O 3.44Å; G513-L588 CarbonylContact O-C 3.6Å; G513-L588 WeakPolarHBondContact O-CA 3.31Å; G513-L588 PolarHBondContact O-N 2.95Å | ||
| 589 | L | 30 | Very low | 63.6 | Low | 162 Ų | 162 | 59.1 Ų | 59.1 | 85% | 0.848 | 31% | 0.312 | S | S | * | . | trans | -62.5 | 152 | -166 | -57.6 | 166.6 | 0 | 0 | 0 | 121.1 | L512 | L512-L589 CarbonylContact O-C 3.47Š| ||
| 590 | R | 49.1 | Very low | 62.8 | Low | 166 Ų | 166 | 60 Ų | 60 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | trans | -152.3 | 175.8 | 172.9 | -68.6 | -165.4 | -149.8 | -174 | -3.2 | 117.1 | M511 L512 | M511-R590 PolarHBondContact O-NE 3.47Å; M511-R590 PolarHBondContact O-NH1 2.89Å; M511-R590 PolarHBondContact O-NH2 3.17Å; L512-R590 HydrophobicContact CB-CB 4.2Å; L512-R590 HydrophobicContact CD2-CB 3.88Å; L512-R590 WeakPolarHBondContact O-CB 3.4Å; L512-R590 WeakPolarHBondContact O-CG 3.34Å; L512-R590 PolarHBondContact O-N 3.38Å | ||
| 591 | L | 52.5 | Low | 62.2 | Low | 98 Ų | 98 | 59.4 Ų | 59.4 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -69.4 | -42.5 | -170.1 | -170.3 | 78.3 | 0 | 0 | 0 | 116.5 | Y376 | Y376-L591 HydrophobicContact CD1-CD2 4.38Š|
| 592 | F | 53.9 | Low | 61.7 | Low | 16 Ų | 16 | 54.4 Ų | 54.4 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -95.6 | 155.3 | 175.1 | -68.9 | -78.2 | 0 | 0 | 0 | 109.8 | Y370 K373 V374 L377 L512 K514 E596 L600 | Y370-F592 HydrophobicContact CD2-CD1 4.45Å; Y370-F592 HydrophobicContact CD2-CE1 4.32Å; Y370-F592 HydrophobicContact CE2-CD1 4.28Å; Y370-F592 HydrophobicContact CE2-CE1 4.07Å; K373-F592 HydrophobicContact CB-CD1 4.39Å; K373-F592 HydrophobicContact CB-CE1 3.7Å; K373-F592 HydrophobicContact CB-CZ 4.25Å; K373-F592 HydrophobicContact CD-CD1 4.34Å; K373-F592 HydrophobicContact CD-CE1 4.44Å; V374-F592 HydrophobicContact CG2-CE1 4.49Å; L377-F592 HydrophobicContact CB-CE2 4.35Å; L377-F592 HydrophobicContact CB-CZ 4.08Å; L377-F592 HydrophobicContact CD1-CE2 4.44Å; L377-F592 HydrophobicContact CD2-CE2 3.87Å; L377-F592 HydrophobicContact CD2-CZ 3.91Å; L377-F592 HydrophobicContact CG-CE2 4.44Å; L512-F592 VanDerWaalsContact CD1-O 3.24Å; L512-F592 WeakPolarHBondContact CD1-O 3.46Å; L512-F592 HydrophobicContact CD2-CB 4.03Å; L512-F592 WeakPolarHBondContact CD2-O 3.2Å; K514-F592 WeakPolarHBondContact CE-O 3.45Å; F592-E596 HydrophobicContact CB-CB 4.19Å; F592-E596 HydrophobicContact CD1-CB 3.92Å; F592-L600 HydrophobicContact CE2-CD2 4.23Å; F592-L600 HydrophobicContact CZ-CD2 4.23Å |
| 593 | D | 66.8 | Low | 61.1 | Low | 44 Ų | 44 | 52.7 Ų | 52.7 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | trans | -89.1 | 170.4 | 161.4 | 73.3 | 48.7 | 0 | 0 | 0 | 112.9 | L512 N595 E596 L597 | L512-D593 VanDerWaalsContact CD1-O 3.29Å; L512-D593 WeakPolarHBondContact CD1-O 3.36Å; D593-N595 VanDerWaalsContact C-N 3.29Å; D593-N595 PolarHBondContact O-N 2.96Å; D593-N595 WeakPolarHBondContact OD1-CA 3.44Å; D593-N595 WeakPolarHBondContact OD1-CB 3.49Å; D593-N595 PolarHBondContact OD1-N 3.44Å; D593-E596 PolarHBondContact N-OE2 2.77Å; D593-E596 PolarHBondContact O-N 3.15Å; D593-E596 WeakPolarHBondContact OD1-CG 3.4Å; D593-E596 PolarHBondContact OD1-N 2.95Å; D593-L597 PolarHBondContact O-N 2.66Å | ||
| 594 | A | 65.1 | Low | 60.4 | Low | 2 Ų | 2 | 52.6 Ų | 52.6 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -40.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R505 K509 L597 E598 | R505-A594 HydrophobicContact CG-CB 4.11Å; K509-A594 HydrophobicContact CG-CB 3.75Å; A594-L597 PolarHBondContact O-N 3.33Å; A594-E598 WeakPolarHBondContact O-CB 3.4Å; A594-E598 PolarHBondContact O-N 2.69Å |
| 595 | N | 66.6 | Low | 60.2 | Low | 60 Ų | 60 | 56.6 Ų | 56.6 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 176.3 | -64.8 | -25.1 | 0 | 0 | 0 | 110.3 | R505 D593 L597 E598 L599 | R505-N595 PolarHBondContact NH1-OD1 3.17Å; R505-N595 PolarHBondContact NH2-ND2 2.79Å; R505-N595 VanDerWaalsContact NH2-ND2 3.15Å; R505-N595 PolarHBondContact NH2-OD1 3Å; D593-N595 VanDerWaalsContact C-N 3.29Å; D593-N595 PolarHBondContact O-N 2.96Å; D593-N595 WeakPolarHBondContact OD1-CA 3.44Å; D593-N595 WeakPolarHBondContact OD1-CB 3.49Å; D593-N595 PolarHBondContact OD1-N 3.44Å; N595-L597 VanDerWaalsContact C-N 3.3Å; N595-L597 PolarHBondContact O-N 2.88Å; N595-E598 PolarHBondContact O-N 3.23Å; N595-L599 WeakPolarHBondContact O-CB 3.28Å; N595-L599 WeakPolarHBondContact O-CD1 3.21Å; N595-L599 WeakPolarHBondContact O-CG 3.28Å; N595-L599 PolarHBondContact O-N 3.38Å |
| 596 | E | 68.2 | Low | 61.1 | Low | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.023 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 179.3 | -68.6 | 177.7 | 150.9 | 0 | 0 | 112 | S367 Y370 K373 F592 D593 L600 | S367-E596 VanDerWaalsContact CB-OE1 3.31Å; S367-E596 WeakPolarHBondContact CB-OE1 3.45Å; S367-E596 PolarHBondContact OG-OE1 3.07Å; Y370-E596 HydrophobicContact CD2-CB 3.78Å; Y370-E596 HydrophobicContact CD2-CG 3.69Å; Y370-E596 HydrophobicContact CE2-CB 3.87Å; Y370-E596 HydrophobicContact CE2-CG 4.29Å; Y370-E596 WeakPolarHBondContact CE2-O 3.17Å; K373-E596 IonicContact NZ-OE1 2.68Å; K373-E596 PolarHBondContact NZ-OE1 3.34Å; K373-E596 IonicContact NZ-OE2 2.65Å; K373-E596 PolarHBondContact NZ-OE2 3.3Å; F592-E596 HydrophobicContact CB-CB 4.19Å; F592-E596 HydrophobicContact CD1-CB 3.92Å; D593-E596 PolarHBondContact N-OE2 2.77Å; D593-E596 PolarHBondContact O-N 3.15Å; D593-E596 WeakPolarHBondContact OD1-CG 3.4Å; D593-E596 PolarHBondContact OD1-N 2.95Å; E596-L600 VanDerWaalsContact O-CB 3.28Å; E596-L600 WeakPolarHBondContact O-CB 3.36Å; E596-L600 PolarHBondContact O-N 2.8Å |
| 597 | L | 74.4 | Confident | 63 | Low | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.6 | -43.1 | 176.6 | -178.4 | 60.6 | 0 | 0 | 0 | 112.1 | Y508 M511 L512 D593 A594 N595 L599 L600 M601 | Y508-L597 HydrophobicContact CD1-CB 4.27Å; Y508-L597 HydrophobicContact CD1-CD2 4.02Å; Y508-L597 HydrophobicContact CD1-CG 3.87Å; M511-L597 HydrophobicContact CB-CD2 3.9Å; M511-L597 HydrophobicContact CE-CD2 3.9Å; L512-L597 HydrophobicContact CD1-CB 4.05Å; L512-L597 HydrophobicContact CD1-CD2 4.11Å; L512-L597 HydrophobicContact CD2-CD2 4.02Å; L512-L597 HydrophobicContact CG-CD2 3.76Å; D593-L597 PolarHBondContact O-N 2.66Å; A594-L597 PolarHBondContact O-N 3.33Å; N595-L597 VanDerWaalsContact C-N 3.3Å; N595-L597 PolarHBondContact O-N 2.88Å; L597-L599 VanDerWaalsContact C-N 3.33Å; L597-L599 PolarHBondContact O-N 3.37Å; L597-L600 HydrophobicContact CD1-CD2 4.36Å; L597-L600 WeakPolarHBondContact O-CB 3.21Å; L597-L600 PolarHBondContact O-N 3.35Å; L597-M601 HydrophobicContact CD1-CG 4.3Å; L597-M601 HydrophobicContact CD1-SD 3.94Å; L597-M601 HydrophobicContact CG-SD 3.96Å; L597-M601 WeakPolarHBondContact O-CG 3.49Å; L597-M601 PolarHBondContact O-N 2.81Å |
| 598 | E | 72.3 | Confident | 65.2 | Low | 48 Ų | 48 | 51.6 Ų | 51.6 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.2 | -51.3 | 172 | 179 | -179.1 | -174.7 | 0 | 0 | 110.8 | F502 Y508 A594 N595 L600 M601 C602 | F502-E598 HydrophobicContact CD1-CG 4.46Å; F502-E598 WeakPolarHBondContact CD1-OE1 3.42Å; Y508-E598 HydrophobicContact CD1-CB 4.27Å; Y508-E598 HydrophobicContact CD2-CB 3.81Å; Y508-E598 HydrophobicContact CD2-CG 4.32Å; Y508-E598 HydrophobicContact CE1-CB 4Å; Y508-E598 HydrophobicContact CE2-CB 3.49Å; Y508-E598 VanDerWaalsContact CE2-CB 3.49Å; Y508-E598 HydrophobicContact CE2-CG 3.57Å; Y508-E598 HydrophobicContact CG-CB 4.19Å; A594-E598 WeakPolarHBondContact O-CB 3.4Å; A594-E598 PolarHBondContact O-N 2.69Å; N595-E598 PolarHBondContact O-N 3.23Å; E598-L600 VanDerWaalsContact C-N 3.29Å; E598-L600 PolarHBondContact O-N 2.85Å; E598-M601 PolarHBondContact O-N 2.99Å; E598-M601 VanDerWaalsContact O-N 3.09Å; E598-C602 VanDerWaalsContact O-CB 3.29Å; E598-C602 WeakPolarHBondContact O-CB 3.34Å; E598-C602 PolarHBondContact O-N 3.35Å; E598-C602 PolarHBondContact O-SG 3.44Å; E598-C602 VanDerWaalsContact O-SG 3.41Å |
| 599 | L | 67.7 | Low | 67.7 | Low | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -33.9 | 179.7 | -69.3 | 160 | 0 | 0 | 0 | 113.2 | Y366 N595 L597 M601 G603 L604 M659 | Y366-L599 HydrophobicContact CD1-CD1 3.55Å; Y366-L599 HydrophobicContact CE1-CD1 3.1Å; Y366-L599 HydrophobicContact CE1-CD2 3.8Å; Y366-L599 HydrophobicContact CE1-CG 4.07Å; Y366-L599 WeakPolarHBondContact OH-CD2 3.41Å; N595-L599 WeakPolarHBondContact O-CB 3.28Å; N595-L599 WeakPolarHBondContact O-CD1 3.21Å; N595-L599 WeakPolarHBondContact O-CG 3.28Å; N595-L599 PolarHBondContact O-N 3.38Å; L597-L599 VanDerWaalsContact C-N 3.33Å; L597-L599 PolarHBondContact O-N 3.37Å; L599-M601 VanDerWaalsContact C-N 3.28Å; L599-G603 WeakPolarHBondContact O-CA 3.32Å; L599-G603 PolarHBondContact O-N 3.25Å; L599-G603 VanDerWaalsContact O-N 3.15Å; L599-L604 HydrophobicContact CD2-CD2 4.22Å; L599-M659 HydrophobicContact CB-CB 4.49Å; L599-M659 HydrophobicContact CB-CE 4.13Å; L599-M659 HydrophobicContact CB-CG 4.22Å; L599-M659 HydrophobicContact CD1-CE 3.58Å; L599-M659 HydrophobicContact CD1-CG 4.3Å; L599-M659 HydrophobicContact CD2-CG 4.19Å; L599-M659 HydrophobicContact CG-CE 4.44Å; L599-M659 HydrophobicContact CG-CG 4.49Å |
| 600 | L | 74.5 | Confident | 70.4 | Confident | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | 175.3 | -178.4 | 63.7 | 0 | 0 | 0 | 111.6 | Y370 V374 L377 I493 F592 E596 L597 E598 | Y370-L600 WeakPolarHBondContact OH-CA 3.48Å; Y370-L600 WeakPolarHBondContact OH-CB 3.46Å; Y370-L600 PolarHBondContact OH-N 3.4Å; V374-L600 HydrophobicContact CG2-CD1 4.32Å; L377-L600 HydrophobicContact CD2-CD2 3.88Å; I493-L600 HydrophobicContact CG1-CD2 4.48Å; I493-L600 HydrophobicContact CG1-CG 4.39Å; I493-L600 HydrophobicContact CG2-CD2 4.03Å; I493-L600 HydrophobicContact CG2-CG 4.36Å; F592-L600 HydrophobicContact CE2-CD2 4.23Å; F592-L600 HydrophobicContact CZ-CD2 4.23Å; E596-L600 VanDerWaalsContact O-CB 3.28Å; E596-L600 WeakPolarHBondContact O-CB 3.36Å; E596-L600 PolarHBondContact O-N 2.8Å; L597-L600 HydrophobicContact CD1-CD2 4.36Å; L597-L600 WeakPolarHBondContact O-CB 3.21Å; L597-L600 PolarHBondContact O-N 3.35Å; E598-L600 VanDerWaalsContact C-N 3.29Å; E598-L600 PolarHBondContact O-N 2.85Å |
| 601 | M | 75.1 | Confident | 72.3 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -88.6 | -40.7 | -176.6 | -71.3 | 174.6 | 50.1 | 0 | 0 | 113.2 | I489 I493 L499 F503 Y508 M511 L597 E598 L599 | I489-M601 HydrophobicContact CB-CE 4.3Å; I489-M601 HydrophobicContact CD1-CE 3.84Å; I489-M601 HydrophobicContact CG1-CE 3.89Å; I489-M601 HydrophobicContact CG2-CE 3.43Å; I489-M601 VanDerWaalsContact CG2-CE 3.43Å; I489-M601 HydrophobicContact CG2-CG 4.2Å; I489-M601 HydrophobicContact CG2-SD 3.73Å; I493-M601 HydrophobicContact CD1-CG 3.91Å; I493-M601 HydrophobicContact CD1-SD 4.44Å; I493-M601 HydrophobicContact CG1-CG 4.09Å; L499-M601 PolarHBondContact N-O 3.21Å; F503-M601 HydrophobicContact CD2-CE 4.09Å; F503-M601 HydrophobicContact CE2-CE 3.74Å; Y508-M601 HydrophobicContact CD1-SD 4.24Å; Y508-M601 HydrophobicContact CE1-CE 4.03Å; Y508-M601 HydrophobicContact CE1-SD 3.84Å; M511-M601 HydrophobicContact CE-CE 4.25Å; M511-M601 HydrophobicContact CE-SD 4.01Å; L597-M601 HydrophobicContact CD1-CG 4.3Å; L597-M601 HydrophobicContact CD1-SD 3.94Å; L597-M601 HydrophobicContact CG-SD 3.96Å; L597-M601 WeakPolarHBondContact O-CG 3.49Å; L597-M601 PolarHBondContact O-N 2.81Å; E598-M601 PolarHBondContact O-N 2.99Å; E598-M601 VanDerWaalsContact O-N 3.09Å; L599-M601 VanDerWaalsContact C-N 3.28Å |
| 602 | C | 74.3 | Confident | 74.2 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -116.5 | -21 | -161 | -48.2 | 0 | 0 | 0 | 0 | 112.5 | A501 F502 Y508 E598 | A501-C602 WeakPolarHBondContact O-CB 3.43Å; A501-C602 PolarHBondContact O-SG 2.97Å; F502-C602 HydrophobicContact CD1-CB 4.17Å; F502-C602 HydrophobicContact CE1-CB 3.88Å; F502-C602 HydrophobicContact CZ-CB 4.42Å; Y508-C602 PolarHBondContact OH-SG 3.27Å; E598-C602 VanDerWaalsContact O-CB 3.29Å; E598-C602 WeakPolarHBondContact O-CB 3.34Å; E598-C602 PolarHBondContact O-N 3.35Å; E598-C602 PolarHBondContact O-SG 3.44Å; E598-C602 VanDerWaalsContact O-SG 3.41Å |
| 603 | G | 69.9 | Low | 76.1 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | 74.8 | -162 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L599 | L599-G603 WeakPolarHBondContact O-CA 3.32Å; L599-G603 PolarHBondContact O-N 3.25Å; L599-G603 VanDerWaalsContact O-N 3.15Å | ||
| 604 | L | 65.8 | Low | 77.2 | Confident | 18 Ų | 18 | 35.8 Ų | 35.8 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 129 | 178.1 | -55.1 | 179.6 | 0 | 0 | 0 | 110.7 | Y366 L599 V657 M659 | Y366-L604 HydrophobicContact CE2-CD2 3.85Å; Y366-L604 WeakPolarHBondContact OH-CD2 3.26Å; L599-L604 HydrophobicContact CD2-CD2 4.22Å; L604-V657 HydrophobicContact CB-CB 4.16Å; L604-V657 HydrophobicContact CD1-CB 4.11Å; L604-V657 HydrophobicContact CD1-CG1 4.05Å; L604-V657 HydrophobicContact CG-CB 4.37Å; L604-V657 PolarHBondContact N-O 3.43Å; L604-M659 HydrophobicContact CD2-CG 4.45Å |
| 605 | Q | 66.3 | Low | 78.5 | Confident | 91 Ų | 91 | 36.5 Ų | 36.5 | 43% | 0.425 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -75.7 | -43.6 | 173.3 | -164.8 | -173.5 | 44.9 | 0 | 0 | 112 | F502 N641 | F502-Q605 HydrophobicContact CE1-CB 4.2Å; F502-Q605 HydrophobicContact CE1-CG 4.46Å; F502-Q605 HydrophobicContact CE2-CG 4.09Å; F502-Q605 HydrophobicContact CZ-CB 3.8Å; F502-Q605 HydrophobicContact CZ-CG 3.79Å; Q605-N641 PolarHBondContact O-ND2 2.88Å |
| 606 | K | 75.8 | Confident | 79.9 | Confident | 121 Ų | 121 | 34.3 Ų | 34.3 | 53% | 0.526 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -91.5 | 129.4 | 177.5 | -68.4 | -173.3 | -179.2 | -179.1 | 0 | 111.1 | N641 | K606-N641 WeakPolarHBondContact CA-OD1 3.46Š|
| 607 | I | 82.5 | Confident | 81.1 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | -89.2 | 111.6 | 179.6 | -63.4 | 177.4 | 0 | 0 | 0 | 109.3 | V609 W612 N641 R644 A645 L648 V657 F662 | I607-V609 PolarHBondContact O-N 2.93Å; I607-W612 HydrophobicContact CG2-CE3 3.68Å; I607-W612 HydrophobicContact CG2-CZ3 4.05Å; I607-N641 PolarHBondContact N-OD1 3.13Å; I607-R644 HydrophobicContact CB-CB 4.34Å; I607-R644 HydrophobicContact CD1-CB 3.84Å; I607-R644 HydrophobicContact CG2-CB 4.44Å; I607-A645 HydrophobicContact CD1-CB 4.02Å; I607-L648 HydrophobicContact CD1-CB 4.46Å; I607-L648 HydrophobicContact CD1-CD2 4.13Å; I607-V657 HydrophobicContact CG1-CG2 3.93Å; I607-V657 HydrophobicContact CG2-CG2 4.44Å; I607-F662 HydrophobicContact CG2-CE2 3.91Å; I607-F662 HydrophobicContact CG2-CZ 3.85Å | ||
| 608 | D | 83.3 | Confident | 82.2 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | trans | -73.9 | 107.7 | 168.8 | -179.6 | -15.1 | 0 | 0 | 0 | 109.6 | K610 D611 W612 | D608-K610 VanDerWaalsContact C-N 3.28Å; D608-K610 PolarHBondContact O-N 3.29Å; D608-K610 WeakPolarHBondContact OD1-CA 3.16Å; D608-K610 WeakPolarHBondContact OD1-CB 3.44Å; D608-K610 PolarHBondContact OD1-N 3.44Å; D608-D611 HydrophobicContact CB-CB 3.96Å; D608-D611 PolarHBondContact O-N 3.12Å; D608-D611 PolarHBondContact OD1-N 2.94Å; D608-W612 PolarHBondContact O-N 3.43Å | ||
| 609 | V | 88.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.8 | -29.6 | -179.1 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | F354 A360 I607 W612 K613 W633 I636 L637 R644 | F354-V609 HydrophobicContact CE1-CG1 3.99Å; A360-V609 PolarHBondContact O-N 2.88Å; I607-V609 PolarHBondContact O-N 2.93Å; V609-W612 PolarHBondContact O-N 3.05Å; V609-K613 VanDerWaalsContact O-CB 3.31Å; V609-K613 WeakPolarHBondContact O-CB 3.31Å; V609-K613 PolarHBondContact O-N 2.78Å; V609-W633 HydrophobicContact CG1-CE3 4.09Å; V609-W633 HydrophobicContact CG1-CZ3 4.33Å; V609-I636 HydrophobicContact CG1-CB 4.34Å; V609-I636 HydrophobicContact CG1-CG2 3.74Å; V609-I636 HydrophobicContact CG2-CG2 4.11Å; V609-L637 HydrophobicContact CB-CD2 4.02Å; V609-L637 HydrophobicContact CG1-CD2 3.86Å; V609-L637 HydrophobicContact CG1-CG 4.18Å; V609-L637 HydrophobicContact CG2-CD2 4.33Å; V609-R644 VanDerWaalsContact CG2-CZ 3.46Å |
| 610 | K | 86.4 | Confident | 84.4 | Confident | 125 Ų | 125 | 40.9 Ų | 40.9 | 54% | 0.543 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.1 | -44.6 | 177.8 | -176.6 | -178.5 | 179.1 | 177.2 | 0 | 110.3 | D608 K613 A614 | D608-K610 VanDerWaalsContact C-N 3.28Å; D608-K610 PolarHBondContact O-N 3.29Å; D608-K610 WeakPolarHBondContact OD1-CA 3.16Å; D608-K610 WeakPolarHBondContact OD1-CB 3.44Å; D608-K610 PolarHBondContact OD1-N 3.44Å; K610-K613 PolarHBondContact O-N 2.85Å; K610-A614 VanDerWaalsContact O-CB 3.29Å; K610-A614 WeakPolarHBondContact O-CB 3.48Å; K610-A614 PolarHBondContact O-N 2.78Å |
| 611 | D | 88.3 | Confident | 85.2 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 21% | 0.214 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.2 | -177.1 | 58.5 | 0 | 0 | 0 | 112 | D608 K613 A614 N615 G661 F662 | D608-D611 HydrophobicContact CB-CB 3.96Å; D608-D611 PolarHBondContact O-N 3.12Å; D608-D611 PolarHBondContact OD1-N 2.94Å; D611-K613 PolarHBondContact O-N 3.29Å; D611-A614 PolarHBondContact O-N 3.38Å; D611-N615 WeakPolarHBondContact O-CB 3.48Å; D611-N615 PolarHBondContact O-N 2.89Å; D611-N615 PolarHBondContact O-ND2 2.94Å; D611-N615 PolarHBondContact OD1-ND2 3.04Å; D611-G661 WeakPolarHBondContact OD2-CA 3.38Å; D611-F662 WeakPolarHBondContact OD2-CD2 3.31Å; D611-F662 PolarHBondContact OD2-N 2.86Å |
| 612 | W | 92.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -50.6 | 174.4 | -166.6 | -4.4 | 0 | 0 | 0 | 111.6 | I607 D608 V609 A614 N615 T616 W633 I636 R644 V647 L648 F662 F674 | I607-W612 HydrophobicContact CG2-CE3 3.68Å; I607-W612 HydrophobicContact CG2-CZ3 4.05Å; D608-W612 PolarHBondContact O-N 3.43Å; V609-W612 PolarHBondContact O-N 3.05Å; W612-A614 PolarHBondContact O-N 2.9Å; W612-N615 PolarHBondContact O-N 3.35Å; W612-T616 PolarHBondContact O-N 2.93Å; W612-T616 PolarHBondContact O-OG1 3.05Å; W612-W633 HydrophobicContact CB-CH2 4.07Å; W612-W633 HydrophobicContact CB-CZ3 3.96Å; W612-W633 AromaticContact CD1-CH2 3.53Å; W612-W633 HydrophobicContact CD2-CH2 4.1Å; W612-W633 AromaticContact CD2-CZ3 3.92Å; W612-W633 HydrophobicContact CD2-CZ3 3.92Å; W612-W633 HydrophobicContact CE3-CZ3 4.4Å; W612-W633 AromaticContact CG-CH2 3.61Å; W612-W633 HydrophobicContact CG-CH2 3.61Å; W612-W633 AromaticContact CG-CZ3 3.7Å; W612-W633 HydrophobicContact CG-CZ3 3.7Å; W612-W633 AromaticContact NE1-CH2 3.9Å; W612-I636 HydrophobicContact CE3-CG2 3.79Å; W612-I636 HydrophobicContact CH2-CD1 4.49Å; W612-I636 HydrophobicContact CZ3-CG2 3.66Å; W612-R644 HydrophobicContact CZ3-CB 4.41Å; W612-V647 HydrophobicContact CH2-CB 4.04Å; W612-V647 HydrophobicContact CH2-CG1 3.77Å; W612-V647 HydrophobicContact CZ2-CG1 4.23Å; W612-L648 HydrophobicContact CH2-CB 4.18Å; W612-L648 HydrophobicContact CZ2-CD1 4.17Å; W612-F662 VanDerWaalsContact CA-CG 3.47Å; W612-F662 HydrophobicContact CB-CD1 4.03Å; W612-F662 HydrophobicContact CB-CD2 3.6Å; W612-F662 HydrophobicContact CB-CE1 3.9Å; W612-F662 HydrophobicContact CB-CE2 3.42Å; W612-F662 VanDerWaalsContact CB-CE2 3.42Å; W612-F662 HydrophobicContact CB-CG 3.92Å; W612-F662 HydrophobicContact CB-CZ 3.58Å; W612-F662 AromaticContact CD1-CD1 3.23Å; W612-F662 AromaticContact CD1-CE1 3.17Å; W612-F662 AromaticContact CD1-CG 3.92Å; W612-F662 AromaticContact CD1-CZ 3.76Å; W612-F662 HydrophobicContact CD2-CD1 4.27Å; W612-F662 AromaticContact CD2-CE1 3.44Å; W612-F662 HydrophobicContact CD2-CE1 3.44Å; W612-F662 VanDerWaalsContact CD2-CE1 3.44Å; W612-F662 HydrophobicContact CD2-CE2 4.15Å; W612-F662 AromaticContact CD2-CZ 3.36Å; W612-F662 HydrophobicContact CD2-CZ 3.36Å; W612-F662 AromaticContact CE2-CE1 3.54Å; W612-F662 AromaticContact CE2-CZ 3.92Å; W612-F662 HydrophobicContact CE3-CE1 4.22Å; W612-F662 HydrophobicContact CE3-CE2 4.47Å; W612-F662 AromaticContact CE3-CZ 3.73Å; W612-F662 HydrophobicContact CE3-CZ 3.73Å; W612-F662 AromaticContact CG-CD1 3.6Å; W612-F662 HydrophobicContact CG-CD1 3.6Å; W612-F662 HydrophobicContact CG-CD2 4.07Å; W612-F662 AromaticContact CG-CE1 3.24Å; W612-F662 HydrophobicContact CG-CE1 3.24Å; W612-F662 AromaticContact CG-CE2 3.72Å; W612-F662 HydrophobicContact CG-CE2 3.72Å; W612-F662 HydrophobicContact CG-CG 4.02Å; W612-F662 AromaticContact CG-CZ 3.3Å; W612-F662 HydrophobicContact CG-CZ 3.3Å; W612-F662 HydrophobicContact CZ2-CE1 4.36Å; W612-F662 HydrophobicContact CZ3-CZ 4.5Å; W612-F662 AromaticContact NE1-CD1 3.78Å; W612-F662 AromaticContact NE1-CE1 3.39Å; W612-F674 AromaticContact CE2-CE2 3.82Å; W612-F674 AromaticContact CE2-CZ 3.97Å; W612-F674 HydrophobicContact CZ2-CD2 4.15Å; W612-F674 HydrophobicContact CZ2-CE1 4.4Å; W612-F674 AromaticContact CZ2-CE2 3.51Å; W612-F674 HydrophobicContact CZ2-CE2 3.51Å; W612-F674 AromaticContact CZ2-CZ 3.67Å; W612-F674 HydrophobicContact CZ2-CZ 3.67Å; W612-F674 AromaticContact NE1-CD1 3.43Å; W612-F674 AromaticContact NE1-CD2 3.33Å; W612-F674 VanDerWaalsContact NE1-CD2 3.33Å; W612-F674 AromaticContact NE1-CE1 3.63Å; W612-F674 AromaticContact NE1-CE2 3.5Å; W612-F674 AromaticContact NE1-CG 3.28Å; W612-F674 VanDerWaalsContact NE1-CG 3.28Å; W612-F674 AromaticContact NE1-CZ 3.67Å |
| 613 | K | 92.5 | Very high | 86.9 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 24% | 0.235 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 179 | -176.6 | 174.1 | 179.5 | -173.9 | 0 | 112.2 | F354 V609 K610 D611 N615 T616 W633 | F354-K613 HydrophobicContact CD1-CD 4.47Å; F354-K613 HydrophobicContact CE1-CD 3.89Å; F354-K613 HydrophobicContact CZ-CD 4.01Å; V609-K613 VanDerWaalsContact O-CB 3.31Å; V609-K613 WeakPolarHBondContact O-CB 3.31Å; V609-K613 PolarHBondContact O-N 2.78Å; K610-K613 PolarHBondContact O-N 2.85Å; D611-K613 PolarHBondContact O-N 3.29Å; K613-N615 VanDerWaalsContact C-N 3.25Å; K613-N615 PolarHBondContact O-N 3.48Å; K613-T616 PolarHBondContact O-N 3.44Å; K613-W633 VanDerWaalsContact CA-CH2 3.44Å; K613-W633 VanDerWaalsContact CA-CZ2 3.48Å; K613-W633 HydrophobicContact CB-CD2 3.89Å; K613-W633 HydrophobicContact CB-CE3 3.9Å; K613-W633 HydrophobicContact CB-CH2 3.99Å; K613-W633 HydrophobicContact CB-CZ2 3.96Å; K613-W633 HydrophobicContact CB-CZ3 3.95Å; K613-W633 HydrophobicContact CD-CB 4.35Å; K613-W633 HydrophobicContact CD-CD2 4.01Å; K613-W633 HydrophobicContact CD-CG 3.87Å; K613-W633 HydrophobicContact CG-CD2 3.82Å; K613-W633 HydrophobicContact CG-CE3 4.34Å; K613-W633 HydrophobicContact CG-CG 4.11Å; K613-W633 HydrophobicContact CG-CZ2 4.15Å |
| 614 | A | 90.2 | Very high | 87.8 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.6 | -27 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | K610 D611 W612 | K610-A614 VanDerWaalsContact O-CB 3.29Å; K610-A614 WeakPolarHBondContact O-CB 3.48Å; K610-A614 PolarHBondContact O-N 2.78Å; D611-A614 PolarHBondContact O-N 3.38Å; W612-A614 PolarHBondContact O-N 2.9Å |
| 615 | N | 92.5 | Very high | 88.7 | Confident | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 16.5 | -178.7 | -70 | -73.4 | 0 | 0 | 0 | 114.3 | D611 W612 K613 F662 R663 K673 | D611-N615 WeakPolarHBondContact O-CB 3.48Å; D611-N615 PolarHBondContact O-N 2.89Å; D611-N615 PolarHBondContact O-ND2 2.94Å; D611-N615 PolarHBondContact OD1-ND2 3.04Å; W612-N615 PolarHBondContact O-N 3.35Å; K613-N615 VanDerWaalsContact C-N 3.25Å; K613-N615 PolarHBondContact O-N 3.48Å; N615-F662 HydrophobicContact CB-CB 3.65Å; N615-R663 WeakPolarHBondContact OD1-CA 3.46Å; N615-R663 VanDerWaalsContact OD1-CB 3.26Å; N615-R663 WeakPolarHBondContact OD1-CB 3.39Å; N615-K673 WeakPolarHBondContact O-CD 3.18Å |
| 616 | T | 95.5 | Very high | 89.9 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 9% | 0.086 | 29% | 0.294 | C | S | . | . | trans | -92.3 | 135.8 | 175.5 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | W612 K613 Y618 W633 F674 I676 | W612-T616 PolarHBondContact O-N 2.93Å; W612-T616 PolarHBondContact O-OG1 3.05Å; K613-T616 PolarHBondContact O-N 3.44Å; T616-Y618 HydrophobicContact CG2-CD1 4.26Å; T616-Y618 HydrophobicContact CG2-CE1 3.71Å; T616-Y618 HydrophobicContact CG2-CE2 4.37Å; T616-W633 HydrophobicContact CG2-CZ2 3.99Å; T616-W633 WeakPolarHBondContact OG1-CH2 3.36Å; T616-W633 WeakPolarHBondContact OG1-CZ2 3.48Å; T616-F674 CarbonylContact C-O 3.56Å; T616-F674 WeakPolarHBondContact CA-O 3.1Å; T616-F674 HydrophobicContact CG2-CD1 3.78Å; T616-F674 HydrophobicContact CG2-CE1 4.46Å; T616-F674 WeakPolarHBondContact OG1-CD1 3.42Å; T616-I676 HydrophobicContact CG2-CD1 4.08Å; T616-I676 HydrophobicContact CG2-CG1 3.9Å | ||
| 617 | I | 95.3 | Very high | 90.5 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 139 | 172.1 | -60.4 | 178.1 | 0 | 0 | 0 | 109.3 | K619 K673 F674 T675 I676 | I617-K619 HydrophobicContact CG2-CG 4.25Å; I617-K673 HydrophobicContact CD1-CB 3.81Å; I617-K673 HydrophobicContact CD1-CD 4.06Å; I617-K673 HydrophobicContact CD1-CG 4.37Å; I617-K673 HydrophobicContact CG1-CB 3.98Å; I617-K673 HydrophobicContact CG1-CD 4.06Å; I617-F674 PolarHBondContact N-O 3.1Å; I617-T675 HydrophobicContact CB-CG2 4.41Å; I617-T675 HydrophobicContact CG2-CG2 4.43Å; I617-T675 CarbonylContact O-C 3.54Å; I617-T675 VanDerWaalsContact O-CA 3.23Å; I617-T675 WeakPolarHBondContact O-CA 3.36Å; I617-I676 PolarHBondContact O-N 2.94Å |
| 618 | Y | 96.6 | Very high | 91 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.3 | 175.7 | -51.5 | -81.9 | 0 | 0 | 0 | 110.8 | T616 Y622 P624 V629 W633 I676 | T616-Y618 HydrophobicContact CG2-CD1 4.26Å; T616-Y618 HydrophobicContact CG2-CE1 3.71Å; T616-Y618 HydrophobicContact CG2-CE2 4.37Å; Y618-Y622 WeakPolarHBondContact CB-O 3.47Å; Y618-P624 HydrophobicContact CD2-CG 3.99Å; Y618-P624 HydrophobicContact CE2-CB 4.4Å; Y618-P624 HydrophobicContact CE2-CG 3.88Å; Y618-V629 HydrophobicContact CD1-CG1 3.95Å; Y618-V629 HydrophobicContact CD1-CG2 3.71Å; Y618-V629 HydrophobicContact CE1-CB 4.26Å; Y618-V629 HydrophobicContact CE1-CG1 3.3Å; Y618-V629 HydrophobicContact CE1-CG2 3.9Å; Y618-W633 AromaticContact CE1-NE1 3.96Å; Y618-W633 AromaticContact CZ-NE1 3.81Å; Y618-W633 PolarHBondContact OH-NE1 3.27Å; Y618-I676 CarbonylContact C-O 3.54Å; Y618-I676 WeakPolarHBondContact CA-O 3.28Å; Y618-I676 HydrophobicContact CD1-CB 4.12Å; Y618-I676 HydrophobicContact CE1-CB 4.49Å; Y618-I676 HydrophobicContact CE1-CD1 4.07Å |
| 619 | K | 95 | Very high | 91.5 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 35% | 0.352 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 172.6 | -178.3 | -67.2 | -171.9 | -178 | -179.4 | 0 | 111.9 | I617 G621 Y622 T675 I676 E677 R678 | I617-K619 HydrophobicContact CG2-CG 4.25Å; K619-G621 VanDerWaalsContact C-N 3.29Å; K619-G621 PolarHBondContact O-N 3.38Å; K619-Y622 WeakPolarHBondContact O-CB 3.4Å; K619-Y622 PolarHBondContact O-N 3.14Å; K619-T675 HydrophobicContact CD-CG2 3.87Å; K619-T675 HydrophobicContact CG-CG2 4.01Å; K619-I676 PolarHBondContact N-O 3.16Å; K619-E677 HydrophobicContact CB-CB 3.98Å; K619-E677 HydrophobicContact CB-CG 3.72Å; K619-R678 PolarHBondContact O-N 3.05Å |
| 620 | G | 91.9 | Very high | 91.6 | Very high | 41 Ų | 41 | 46 Ų | 46 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 24.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y622 R678 | G620-Y622 VanDerWaalsContact C-N 3.32Å; G620-R678 WeakPolarHBondContact O-CB 3.47Å; G620-R678 WeakPolarHBondContact O-CD 3.45Å |
| 621 | G | 90.8 | Very high | 91.8 | Very high | 74 Ų | 74 | 40.4 Ų | 40.4 | 76% | 0.763 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 1.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K619 | K619-G621 VanDerWaalsContact C-N 3.29Å; K619-G621 PolarHBondContact O-N 3.38Å |
| 622 | Y | 94.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | trans | -75.9 | 145.2 | 164.7 | -68 | -16.3 | 0 | 0 | 0 | 111.4 | Y618 K619 G620 V628 V629 I676 R678 L697 P698 P699 | Y618-Y622 WeakPolarHBondContact CB-O 3.47Å; K619-Y622 WeakPolarHBondContact O-CB 3.4Å; K619-Y622 PolarHBondContact O-N 3.14Å; G620-Y622 VanDerWaalsContact C-N 3.32Å; Y622-V628 HydrophobicContact CD1-CG1 3.8Å; Y622-V628 HydrophobicContact CD2-CG1 4.33Å; Y622-V628 HydrophobicContact CE1-CG1 3.38Å; Y622-V628 HydrophobicContact CE2-CG1 3.93Å; Y622-V628 HydrophobicContact CG-CG1 4.27Å; Y622-V628 VanDerWaalsContact CZ-CG1 3.43Å; Y622-V629 HydrophobicContact CD2-CG2 4.45Å; Y622-V629 HydrophobicContact CG-CG2 4.3Å; Y622-I676 HydrophobicContact CD2-CG2 4.09Å; Y622-I676 HydrophobicContact CE2-CG2 4.48Å; Y622-R678 HydrophobicContact CD1-CB 3.88Å; Y622-R678 HydrophobicContact CD1-CG 4.36Å; Y622-R678 HydrophobicContact CD2-CB 3.88Å; Y622-R678 HydrophobicContact CE1-CB 3.58Å; Y622-R678 HydrophobicContact CE1-CG 3.63Å; Y622-R678 HydrophobicContact CE2-CB 3.6Å; Y622-R678 HydrophobicContact CE2-CG 4.18Å; Y622-R678 HydrophobicContact CG-CB 4.02Å; Y622-R678 VanDerWaalsContact CZ-CB 3.44Å; Y622-L697 HydrophobicContact CE2-CB 4.18Å; Y622-L697 WeakPolarHBondContact CE2-O 3.33Å; Y622-L697 PolarHBondContact OH-O 2.94Å; Y622-P698 VanDerWaalsContact OH-C 3.3Å; Y622-P698 PolarHBondContact OH-O 3.43Å; Y622-P699 WeakPolarHBondContact OH-CA 3.17Å | ||
| 623 | G | 90.3 | Very high | 92.2 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | trans | -144.3 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S625 S626 | G623-S625 PolarHBondContact O-N 2.75Å; G623-S626 PolarHBondContact N-OG 3.34Å; G623-S626 WeakPolarHBondContact O-CB 3.21Å; G623-S626 PolarHBondContact O-N 3.5Å; G623-S626 PolarHBondContact O-OG 2.71Å | ||
| 624 | P | 88.2 | Confident | 92 | Very high | 101 Ų | 101 | 37.2 Ų | 37.2 | 66% | 0.656 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.9 | -178.4 | -24.8 | 33.2 | 0 | 0 | 0 | 114.1 | Y618 | Y618-P624 HydrophobicContact CD2-CG 3.99Å; Y618-P624 HydrophobicContact CE2-CB 4.4Å; Y618-P624 HydrophobicContact CE2-CG 3.88Å |
| 625 | S | 85.5 | Confident | 92.1 | Very high | 72 Ų | 72 | 33.5 Ų | 33.5 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 2.4 | 179.8 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | G623 | G623-S625 PolarHBondContact O-N 2.75Š|
| 626 | S | 90.8 | Very high | 92 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | trans | -71.5 | 134.4 | 178.3 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | G623 V628 V629 H630 | G623-S626 PolarHBondContact N-OG 3.34Å; G623-S626 WeakPolarHBondContact O-CB 3.21Å; G623-S626 PolarHBondContact O-N 3.5Å; G623-S626 PolarHBondContact O-OG 2.71Å; S626-V628 VanDerWaalsContact C-N 3.28Å; S626-V628 PolarHBondContact O-N 2.72Å; S626-V629 WeakPolarHBondContact O-CA 3.47Å; S626-V629 WeakPolarHBondContact O-CB 3.44Å; S626-V629 PolarHBondContact O-N 3.17Å; S626-H630 PolarHBondContact O-N 2.88Å | ||
| 627 | Q | 88.8 | Confident | 91.7 | Very high | 55 Ų | 55 | 32.3 Ų | 32.3 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.4 | -40.5 | -177.8 | -173.4 | 58.8 | 46.6 | 0 | 0 | 112.8 | V629 H630 N631 | Q627-V629 VanDerWaalsContact C-N 3.32Å; Q627-V629 PolarHBondContact O-N 3.39Å; Q627-H630 WeakPolarHBondContact O-CB 3.26Å; Q627-H630 PolarHBondContact O-N 3.41Å; Q627-N631 PolarHBondContact NE2-OD1 3.43Å; Q627-N631 WeakPolarHBondContact O-CB 3.48Å; Q627-N631 VanDerWaalsContact O-CG 3.25Å; Q627-N631 PolarHBondContact O-N 2.91Å |
| 628 | V | 93.1 | Very high | 91.3 | Very high | 11 Ų | 11 | 30.5 Ų | 30.5 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -36.4 | 175.5 | 65.2 | 0 | 0 | 0 | 0 | 112.6 | Y622 S626 N631 F632 L697 L706 | Y622-V628 HydrophobicContact CD1-CG1 3.8Å; Y622-V628 HydrophobicContact CD2-CG1 4.33Å; Y622-V628 HydrophobicContact CE1-CG1 3.38Å; Y622-V628 HydrophobicContact CE2-CG1 3.93Å; Y622-V628 HydrophobicContact CG-CG1 4.27Å; Y622-V628 VanDerWaalsContact CZ-CG1 3.43Å; S626-V628 VanDerWaalsContact C-N 3.28Å; S626-V628 PolarHBondContact O-N 2.72Å; V628-N631 PolarHBondContact O-N 3.49Å; V628-F632 WeakPolarHBondContact O-CB 3.39Å; V628-F632 PolarHBondContact O-N 3.32Å; V628-L697 HydrophobicContact CG2-CD2 3.85Å; V628-L697 HydrophobicContact CG2-CG 4.14Å; V628-L706 HydrophobicContact CG2-CD1 3.98Å; V628-L706 WeakPolarHBondContact O-CD1 3.1Å |
| 629 | V | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70 | -41.2 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | Y618 Y622 S626 Q627 F632 W633 | Y618-V629 HydrophobicContact CD1-CG1 3.95Å; Y618-V629 HydrophobicContact CD1-CG2 3.71Å; Y618-V629 HydrophobicContact CE1-CB 4.26Å; Y618-V629 HydrophobicContact CE1-CG1 3.3Å; Y618-V629 HydrophobicContact CE1-CG2 3.9Å; Y622-V629 HydrophobicContact CD2-CG2 4.45Å; Y622-V629 HydrophobicContact CG-CG2 4.3Å; S626-V629 WeakPolarHBondContact O-CA 3.47Å; S626-V629 WeakPolarHBondContact O-CB 3.44Å; S626-V629 PolarHBondContact O-N 3.17Å; Q627-V629 VanDerWaalsContact C-N 3.32Å; Q627-V629 PolarHBondContact O-N 3.39Å; V629-F632 WeakPolarHBondContact O-CB 3.45Å; V629-F632 PolarHBondContact O-N 2.8Å; V629-W633 PolarHBondContact O-N 2.88Å |
| 630 | H | 90.7 | Very high | 90.1 | Very high | 33 Ų | 33 | 30.1 Ų | 30.1 | 15% | 0.153 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 172.7 | 179.8 | -83.6 | 0 | 0 | 0 | 111.1 | F339 S626 Q627 F632 W633 K634 | F339-H630 AromaticContact CE2-NE2 3.92Å; S626-H630 PolarHBondContact O-N 2.88Å; Q627-H630 WeakPolarHBondContact O-CB 3.26Å; Q627-H630 PolarHBondContact O-N 3.41Å; H630-F632 VanDerWaalsContact C-N 3.32Å; H630-F632 PolarHBondContact O-N 3.32Å; H630-W633 PolarHBondContact O-N 3.21Å; H630-K634 VanDerWaalsContact O-CB 3.3Å; H630-K634 WeakPolarHBondContact O-CB 3.09Å; H630-K634 PolarHBondContact O-N 2.58Å |
| 631 | N | 91.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -37.6 | 177.4 | -69.4 | -10.5 | 0 | 0 | 0 | 112.2 | Q627 V628 K634 C635 F703 L706 | Q627-N631 PolarHBondContact NE2-OD1 3.43Å; Q627-N631 WeakPolarHBondContact O-CB 3.48Å; Q627-N631 VanDerWaalsContact O-CG 3.25Å; Q627-N631 PolarHBondContact O-N 2.91Å; V628-N631 PolarHBondContact O-N 3.49Å; N631-K634 WeakPolarHBondContact O-CB 3.3Å; N631-K634 PolarHBondContact O-N 2.76Å; N631-C635 WeakPolarHBondContact O-CB 3.22Å; N631-C635 PolarHBondContact O-N 3.05Å; N631-F703 PolarHBondContact ND2-N 2.89Å; N631-L706 HydrophobicContact CB-CD1 3.94Å |
| 632 | F | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -53.4 | 173.9 | 175.2 | -96.3 | 0 | 0 | 0 | 111.1 | V628 V629 H630 K634 C635 I636 F674 I676 L695 L697 L706 L710 | V628-F632 WeakPolarHBondContact O-CB 3.39Å; V628-F632 PolarHBondContact O-N 3.32Å; V629-F632 WeakPolarHBondContact O-CB 3.45Å; V629-F632 PolarHBondContact O-N 2.8Å; H630-F632 VanDerWaalsContact C-N 3.32Å; H630-F632 PolarHBondContact O-N 3.32Å; F632-K634 VanDerWaalsContact C-N 3.31Å; F632-K634 PolarHBondContact O-N 2.85Å; F632-C635 WeakPolarHBondContact O-CA 3.3Å; F632-C635 WeakPolarHBondContact O-CB 3.25Å; F632-C635 PolarHBondContact O-N 2.84Å; F632-I636 HydrophobicContact CD1-CG1 4.16Å; F632-I636 HydrophobicContact CE1-CD1 4.31Å; F632-I636 HydrophobicContact CE1-CG1 3.69Å; F632-I636 HydrophobicContact CE2-CD1 3.99Å; F632-I636 HydrophobicContact CE2-CG1 4.19Å; F632-I636 HydrophobicContact CZ-CD1 3.8Å; F632-I636 HydrophobicContact CZ-CG1 3.71Å; F632-I636 WeakPolarHBondContact O-CG1 3.27Å; F632-I636 PolarHBondContact O-N 2.88Å; F632-F674 HydrophobicContact CE1-CE1 4.43Å; F632-F674 HydrophobicContact CZ-CE1 4.26Å; F632-F674 HydrophobicContact CZ-CZ 4.23Å; F632-I676 HydrophobicContact CD1-CD1 3.44Å; F632-I676 VanDerWaalsContact CD1-CD1 3.44Å; F632-I676 HydrophobicContact CE1-CD1 3.47Å; F632-I676 VanDerWaalsContact CE1-CD1 3.47Å; F632-I676 HydrophobicContact CG-CD1 4.01Å; F632-I676 HydrophobicContact CZ-CD1 4.05Å; F632-L695 HydrophobicContact CD2-CD2 4.03Å; F632-L695 HydrophobicContact CE2-CD2 3.42Å; F632-L695 VanDerWaalsContact CE2-CD2 3.42Å; F632-L695 HydrophobicContact CZ-CD2 4Å; F632-L697 HydrophobicContact CB-CD2 4.11Å; F632-L697 HydrophobicContact CD2-CD2 4.22Å; F632-L697 HydrophobicContact CG-CD2 4.36Å; F632-L706 HydrophobicContact CB-CD1 4.12Å; F632-L710 HydrophobicContact CD2-CD2 4.39Å; F632-L710 HydrophobicContact CE2-CD2 4.19Å |
| 633 | W | 94 | Very high | 88.2 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.3 | -32.6 | -179.6 | -69.4 | 115.9 | 0 | 0 | 0 | 113.3 | F354 V609 W612 K613 T616 Y618 V629 H630 C635 I636 L637 I676 | F354-W633 HydrophobicContact CZ-CB 3.86Å; V609-W633 HydrophobicContact CG1-CE3 4.09Å; V609-W633 HydrophobicContact CG1-CZ3 4.33Å; W612-W633 HydrophobicContact CB-CH2 4.07Å; W612-W633 HydrophobicContact CB-CZ3 3.96Å; W612-W633 AromaticContact CD1-CH2 3.53Å; W612-W633 HydrophobicContact CD2-CH2 4.1Å; W612-W633 AromaticContact CD2-CZ3 3.92Å; W612-W633 HydrophobicContact CD2-CZ3 3.92Å; W612-W633 HydrophobicContact CE3-CZ3 4.4Å; W612-W633 AromaticContact CG-CH2 3.61Å; W612-W633 HydrophobicContact CG-CH2 3.61Å; W612-W633 AromaticContact CG-CZ3 3.7Å; W612-W633 HydrophobicContact CG-CZ3 3.7Å; W612-W633 AromaticContact NE1-CH2 3.9Å; K613-W633 VanDerWaalsContact CA-CH2 3.44Å; K613-W633 VanDerWaalsContact CA-CZ2 3.48Å; K613-W633 HydrophobicContact CB-CD2 3.89Å; K613-W633 HydrophobicContact CB-CE3 3.9Å; K613-W633 HydrophobicContact CB-CH2 3.99Å; K613-W633 HydrophobicContact CB-CZ2 3.96Å; K613-W633 HydrophobicContact CB-CZ3 3.95Å; K613-W633 HydrophobicContact CD-CB 4.35Å; K613-W633 HydrophobicContact CD-CD2 4.01Å; K613-W633 HydrophobicContact CD-CG 3.87Å; K613-W633 HydrophobicContact CG-CD2 3.82Å; K613-W633 HydrophobicContact CG-CE3 4.34Å; K613-W633 HydrophobicContact CG-CG 4.11Å; K613-W633 HydrophobicContact CG-CZ2 4.15Å; T616-W633 HydrophobicContact CG2-CZ2 3.99Å; T616-W633 WeakPolarHBondContact OG1-CH2 3.36Å; T616-W633 WeakPolarHBondContact OG1-CZ2 3.48Å; Y618-W633 AromaticContact CE1-NE1 3.96Å; Y618-W633 AromaticContact CZ-NE1 3.81Å; Y618-W633 PolarHBondContact OH-NE1 3.27Å; V629-W633 PolarHBondContact O-N 2.88Å; H630-W633 PolarHBondContact O-N 3.21Å; W633-C635 VanDerWaalsContact C-N 3.26Å; W633-C635 PolarHBondContact O-N 3.11Å; W633-I636 HydrophobicContact CE3-CB 4.25Å; W633-I636 HydrophobicContact CE3-CG1 4.28Å; W633-I636 HydrophobicContact CE3-CG2 4.5Å; W633-I636 HydrophobicContact CZ3-CG1 4.49Å; W633-I636 HydrophobicContact CZ3-CG2 4.47Å; W633-I636 PolarHBondContact O-N 2.74Å; W633-L637 PolarHBondContact O-N 3.04Å; W633-I676 HydrophobicContact CZ2-CD1 4.44Å |
| 634 | K | 88.4 | Confident | 88.1 | Confident | 24 Ų | 24 | 32.9 Ų | 32.9 | 10% | 0.104 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57 | -43.1 | 168.7 | -171.9 | 179.9 | 176.7 | -179.5 | 0 | 110.5 | D318 I320 H630 N631 F632 L637 S638 F703 | D318-K634 IonicContact OD1-NZ 2.76Å; D318-K634 PolarHBondContact OD1-NZ 3.39Å; D318-K634 IonicContact OD2-NZ 2.97Å; I320-K634 HydrophobicContact CD1-CB 4.36Å; I320-K634 HydrophobicContact CD1-CD 4.28Å; I320-K634 HydrophobicContact CD1-CG 3.33Å; I320-K634 WeakPolarHBondContact CD1-O 3.4Å; H630-K634 VanDerWaalsContact O-CB 3.3Å; H630-K634 WeakPolarHBondContact O-CB 3.09Å; H630-K634 PolarHBondContact O-N 2.58Å; N631-K634 WeakPolarHBondContact O-CB 3.3Å; N631-K634 PolarHBondContact O-N 2.76Å; F632-K634 VanDerWaalsContact C-N 3.31Å; F632-K634 PolarHBondContact O-N 2.85Å; K634-L637 PolarHBondContact O-N 3.22Å; K634-S638 PolarHBondContact O-N 3.06Å; K634-F703 HydrophobicContact CB-CD2 4.06Å; K634-F703 HydrophobicContact CB-CE2 4.02Å; K634-F703 HydrophobicContact CD-CD2 3.68Å; K634-F703 HydrophobicContact CD-CE2 3.94Å; K634-F703 HydrophobicContact CD-CG 4.07Å; K634-F703 HydrophobicContact CG-CD2 3.84Å; K634-F703 HydrophobicContact CG-CE2 3.66Å; K634-F703 HydrophobicContact CG-CZ 4.38Å |
| 635 | C | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.6 | -48 | 177.2 | -165.5 | 0 | 0 | 0 | 0 | 111.6 | N631 F632 W633 L637 S638 F639 F703 L706 | N631-C635 WeakPolarHBondContact O-CB 3.22Å; N631-C635 PolarHBondContact O-N 3.05Å; F632-C635 WeakPolarHBondContact O-CA 3.3Å; F632-C635 WeakPolarHBondContact O-CB 3.25Å; F632-C635 PolarHBondContact O-N 2.84Å; W633-C635 VanDerWaalsContact C-N 3.26Å; W633-C635 PolarHBondContact O-N 3.11Å; C635-L637 VanDerWaalsContact C-N 3.32Å; C635-L637 PolarHBondContact O-N 3.1Å; C635-S638 PolarHBondContact O-N 2.9Å; C635-S638 VanDerWaalsContact O-N 3.08Å; C635-S638 PolarHBondContact O-OG 2.8Å; C635-F639 WeakPolarHBondContact O-CG 3.21Å; C635-F639 PolarHBondContact O-N 2.99Å; C635-F639 WeakPolarHBondContact SG-CZ 3.01Å; C635-F703 HydrophobicContact CB-CE2 4.01Å; C635-L706 HydrophobicContact CB-CD2 3.95Å |
| 636 | I | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 178.7 | -57.2 | -49.9 | 0 | 0 | 0 | 112.1 | V609 W612 F632 W633 S638 F639 R644 V647 | V609-I636 HydrophobicContact CG1-CB 4.34Å; V609-I636 HydrophobicContact CG1-CG2 3.74Å; V609-I636 HydrophobicContact CG2-CG2 4.11Å; W612-I636 HydrophobicContact CE3-CG2 3.79Å; W612-I636 HydrophobicContact CH2-CD1 4.49Å; W612-I636 HydrophobicContact CZ3-CG2 3.66Å; F632-I636 HydrophobicContact CD1-CG1 4.16Å; F632-I636 HydrophobicContact CE1-CD1 4.31Å; F632-I636 HydrophobicContact CE1-CG1 3.69Å; F632-I636 HydrophobicContact CE2-CD1 3.99Å; F632-I636 HydrophobicContact CE2-CG1 4.19Å; F632-I636 HydrophobicContact CZ-CD1 3.8Å; F632-I636 HydrophobicContact CZ-CG1 3.71Å; F632-I636 WeakPolarHBondContact O-CG1 3.27Å; F632-I636 PolarHBondContact O-N 2.88Å; W633-I636 HydrophobicContact CE3-CB 4.25Å; W633-I636 HydrophobicContact CE3-CG1 4.28Å; W633-I636 HydrophobicContact CE3-CG2 4.5Å; W633-I636 HydrophobicContact CZ3-CG1 4.49Å; W633-I636 HydrophobicContact CZ3-CG2 4.47Å; W633-I636 PolarHBondContact O-N 2.74Å; I636-S638 VanDerWaalsContact C-N 3.35Å; I636-F639 HydrophobicContact CD1-CD2 4.18Å; I636-F639 HydrophobicContact CD1-CE2 4.33Å; I636-F639 PolarHBondContact O-N 3.26Å; I636-R644 HydrophobicContact CG2-CG 4.11Å; I636-R644 PolarHBondContact O-NE 2.78Å; I636-R644 VanDerWaalsContact O-NE 3.09Å; I636-V647 HydrophobicContact CD1-CB 4.27Å; I636-V647 HydrophobicContact CD1-CG1 3.81Å; I636-V647 HydrophobicContact CD1-CG2 3.98Å |
| 637 | L | 88.7 | Confident | 87.5 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 173.2 | -82.3 | -177.6 | 0 | 0 | 0 | 112.9 | I320 F354 I359 V609 W633 K634 C635 F639 R644 | I320-L637 HydrophobicContact CD1-CB 4.42Å; F354-L637 HydrophobicContact CD1-CD1 3.72Å; F354-L637 HydrophobicContact CD1-CD2 3.83Å; F354-L637 HydrophobicContact CD1-CG 4Å; F354-L637 HydrophobicContact CD2-CD1 3.68Å; F354-L637 HydrophobicContact CE1-CD1 3.36Å; F354-L637 HydrophobicContact CE1-CD2 3.69Å; F354-L637 HydrophobicContact CE1-CG 3.44Å; F354-L637 VanDerWaalsContact CE1-CG 3.44Å; F354-L637 HydrophobicContact CE2-CD1 3.31Å; F354-L637 HydrophobicContact CE2-CG 4.26Å; F354-L637 HydrophobicContact CG-CD1 3.84Å; F354-L637 HydrophobicContact CZ-CD1 3.1Å; F354-L637 HydrophobicContact CZ-CD2 4.3Å; F354-L637 HydrophobicContact CZ-CG 3.55Å; I359-L637 HydrophobicContact CG2-CD2 4.38Å; V609-L637 HydrophobicContact CB-CD2 4.02Å; V609-L637 HydrophobicContact CG1-CD2 3.86Å; V609-L637 HydrophobicContact CG1-CG 4.18Å; V609-L637 HydrophobicContact CG2-CD2 4.33Å; W633-L637 PolarHBondContact O-N 3.04Å; K634-L637 PolarHBondContact O-N 3.22Å; C635-L637 VanDerWaalsContact C-N 3.32Å; C635-L637 PolarHBondContact O-N 3.1Å; L637-F639 PolarHBondContact O-N 2.91Å; L637-R644 PolarHBondContact O-NH2 3.06Å; L637-R644 VanDerWaalsContact O-NH2 3.11Å |
| 638 | S | 86.3 | Confident | 87.5 | Confident | 29 Ų | 29 | 25.8 Ų | 25.8 | 20% | 0.203 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.3 | -18.6 | 178.8 | 74.8 | 0 | 0 | 0 | 0 | 113.7 | K634 C635 I636 | K634-S638 PolarHBondContact O-N 3.06Å; C635-S638 PolarHBondContact O-N 2.9Å; C635-S638 VanDerWaalsContact O-N 3.08Å; C635-S638 PolarHBondContact O-OG 2.8Å; I636-S638 VanDerWaalsContact C-N 3.35Å |
| 639 | F | 86.4 | Confident | 86.9 | Confident | 15 Ų | 15 | 27 Ų | 27 | 7% | 0.066 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -81 | 145.5 | 177.7 | -69.2 | -20 | 0 | 0 | 0 | 111.4 | C635 I636 L637 M643 R644 V647 K707 L710 L711 | C635-F639 WeakPolarHBondContact O-CG 3.21Å; C635-F639 PolarHBondContact O-N 2.99Å; C635-F639 WeakPolarHBondContact SG-CZ 3.01Å; I636-F639 HydrophobicContact CD1-CD2 4.18Å; I636-F639 HydrophobicContact CD1-CE2 4.33Å; I636-F639 PolarHBondContact O-N 3.26Å; L637-F639 PolarHBondContact O-N 2.91Å; F639-M643 HydrophobicContact CB-CB 3.91Å; F639-M643 HydrophobicContact CB-CG 3.93Å; F639-M643 HydrophobicContact CD1-CB 4.39Å; F639-M643 HydrophobicContact CD1-CG 3.67Å; F639-M643 HydrophobicContact CD2-CB 4.35Å; F639-M643 HydrophobicContact CD2-CG 3.51Å; F639-M643 HydrophobicContact CE1-CG 3.94Å; F639-M643 HydrophobicContact CE2-CG 3.8Å; F639-M643 HydrophobicContact CG-CB 4Å; F639-M643 HydrophobicContact CG-CG 3.43Å; F639-M643 VanDerWaalsContact CG-CG 3.43Å; F639-M643 HydrophobicContact CZ-CG 3.99Å; F639-R644 HydrophobicContact CB-CG 4Å; F639-R644 PolarHBondContact O-NE 3.36Å; F639-R644 PolarHBondContact O-NH2 2.97Å; F639-V647 HydrophobicContact CD2-CG2 3.94Å; F639-V647 HydrophobicContact CE2-CG2 3.74Å; F639-K707 HydrophobicContact CE1-CG 4.3Å; F639-K707 HydrophobicContact CZ-CG 4.44Å; F639-L710 HydrophobicContact CE2-CD2 4.25Å; F639-L711 HydrophobicContact CE1-CD2 4.05Å; F639-L711 HydrophobicContact CE1-CG 4.45Å; F639-L711 HydrophobicContact CZ-CD2 3.74Å; F639-L711 HydrophobicContact CZ-CG 4.09Å |
| 640 | D | 79.8 | Confident | 86.4 | Confident | 97 Ų | 97 | 28.3 Ų | 28.3 | 52% | 0.519 | 14% | 0.137 | S | C | . | . | trans | -69.5 | 177.2 | 164.6 | 61.9 | 20.6 | 0 | 0 | 0 | 111.1 | E642 M643 R644 | D640-E642 VanDerWaalsContact C-N 3.3Å; D640-E642 PolarHBondContact O-N 3.5Å; D640-E642 PolarHBondContact OD1-N 3.27Å; D640-M643 VanDerWaalsContact OD1-CB 3.28Å; D640-M643 WeakPolarHBondContact OD1-CB 3.41Å; D640-M643 PolarHBondContact OD1-N 3.07Å; D640-R644 WeakPolarHBondContact O-CB 3.44Å; D640-R644 WeakPolarHBondContact O-CD 3.34Å; D640-R644 WeakPolarHBondContact O-CG 3.34Å; D640-R644 PolarHBondContact O-N 2.67Å | ||
| 641 | N | 79.3 | Confident | 86.2 | Confident | 50 Ų | 50 | 26.8 Ų | 26.8 | 27% | 0.267 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -66.7 | -31.2 | -177.1 | -166.5 | 71 | 0 | 0 | 0 | 113.3 | Q605 K606 I607 A645 | Q605-N641 PolarHBondContact O-ND2 2.88Å; K606-N641 WeakPolarHBondContact CA-OD1 3.46Å; I607-N641 PolarHBondContact N-OD1 3.13Å; N641-A645 WeakPolarHBondContact O-CB 3.22Å; N641-A645 PolarHBondContact O-N 3.25Å |
| 642 | E | 77.2 | Confident | 85.7 | Confident | 110 Ų | 110 | 26.3 Ų | 26.3 | 51% | 0.514 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -66.5 | -50.5 | 178.4 | -175.2 | -174.6 | 156.8 | 0 | 0 | 110.7 | D640 R644 A645 R646 | D640-E642 VanDerWaalsContact C-N 3.3Å; D640-E642 PolarHBondContact O-N 3.5Å; D640-E642 PolarHBondContact OD1-N 3.27Å; E642-R644 VanDerWaalsContact C-N 3.33Å; E642-R644 PolarHBondContact O-N 2.92Å; E642-A645 WeakPolarHBondContact O-CA 3.3Å; E642-A645 WeakPolarHBondContact O-CB 3.46Å; E642-A645 PolarHBondContact O-N 2.95Å; E642-R646 PolarHBondContact O-N 3.44Å; E642-R646 IonicContact OE1-CZ 2.7Å; E642-R646 VanDerWaalsContact OE1-CZ 3.3Å; E642-R646 IonicContact OE1-NH1 2.76Å; E642-R646 PolarHBondContact OE1-NH1 2.85Å; E642-R646 IonicContact OE1-NH2 3.17Å; E642-R646 PolarHBondContact OE1-NH2 3.43Å |
| 643 | M | 81.6 | Confident | 84.5 | Confident | 32 Ų | 32 | 26.7 Ų | 26.7 | 16% | 0.158 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.9 | -35.4 | 179.1 | -176 | 60 | 68.2 | 0 | 0 | 111.6 | F639 D640 A645 R646 V647 L711 | F639-M643 HydrophobicContact CB-CB 3.91Å; F639-M643 HydrophobicContact CB-CG 3.93Å; F639-M643 HydrophobicContact CD1-CB 4.39Å; F639-M643 HydrophobicContact CD1-CG 3.67Å; F639-M643 HydrophobicContact CD2-CB 4.35Å; F639-M643 HydrophobicContact CD2-CG 3.51Å; F639-M643 HydrophobicContact CE1-CG 3.94Å; F639-M643 HydrophobicContact CE2-CG 3.8Å; F639-M643 HydrophobicContact CG-CB 4Å; F639-M643 HydrophobicContact CG-CG 3.43Å; F639-M643 VanDerWaalsContact CG-CG 3.43Å; F639-M643 HydrophobicContact CZ-CG 3.99Å; D640-M643 VanDerWaalsContact OD1-CB 3.28Å; D640-M643 WeakPolarHBondContact OD1-CB 3.41Å; D640-M643 PolarHBondContact OD1-N 3.07Å; M643-A645 VanDerWaalsContact C-N 3.27Å; M643-A645 PolarHBondContact O-N 2.96Å; M643-R646 PolarHBondContact O-N 2.87Å; M643-R646 HydrophobicContact SD-CB 4.34Å; M643-V647 WeakPolarHBondContact O-CG2 3.48Å; M643-V647 PolarHBondContact O-N 3.27Å; M643-L711 HydrophobicContact CE-CD2 3.69Å; M643-L711 HydrophobicContact CG-CD2 4.28Å; M643-L711 HydrophobicContact SD-CD2 3.55Å; M643-L711 VanDerWaalsContact SD-CD2 3.55Å |
| 644 | R | 88.2 | Confident | 83.4 | Confident | 20 Ų | 20 | 27.5 Ų | 27.5 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 169.7 | -71.3 | 168.4 | -167.2 | 176.1 | 6.1 | 111.5 | I359 I607 V609 W612 I636 L637 F639 D640 E642 V647 L648 | I359-R644 PolarHBondContact O-NH1 2.81Å; I359-R644 PolarHBondContact O-NH2 2.97Å; I607-R644 HydrophobicContact CB-CB 4.34Å; I607-R644 HydrophobicContact CD1-CB 3.84Å; I607-R644 HydrophobicContact CG2-CB 4.44Å; V609-R644 VanDerWaalsContact CG2-CZ 3.46Å; W612-R644 HydrophobicContact CZ3-CB 4.41Å; I636-R644 HydrophobicContact CG2-CG 4.11Å; I636-R644 PolarHBondContact O-NE 2.78Å; I636-R644 VanDerWaalsContact O-NE 3.09Å; L637-R644 PolarHBondContact O-NH2 3.06Å; L637-R644 VanDerWaalsContact O-NH2 3.11Å; F639-R644 HydrophobicContact CB-CG 4Å; F639-R644 PolarHBondContact O-NE 3.36Å; F639-R644 PolarHBondContact O-NH2 2.97Å; D640-R644 WeakPolarHBondContact O-CB 3.44Å; D640-R644 WeakPolarHBondContact O-CD 3.34Å; D640-R644 WeakPolarHBondContact O-CG 3.34Å; D640-R644 PolarHBondContact O-N 2.67Å; E642-R644 VanDerWaalsContact C-N 3.33Å; E642-R644 PolarHBondContact O-N 2.92Å; R644-V647 PolarHBondContact O-N 2.98Å; R644-L648 PolarHBondContact O-N 3.22Å |
| 645 | A | 81.2 | Confident | 82.6 | Confident | 11 Ų | 11 | 26.6 Ų | 26.6 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.8 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I607 N641 E642 M643 L648 Q649 | I607-A645 HydrophobicContact CD1-CB 4.02Å; N641-A645 WeakPolarHBondContact O-CB 3.22Å; N641-A645 PolarHBondContact O-N 3.25Å; E642-A645 WeakPolarHBondContact O-CA 3.3Å; E642-A645 WeakPolarHBondContact O-CB 3.46Å; E642-A645 PolarHBondContact O-N 2.95Å; M643-A645 VanDerWaalsContact C-N 3.27Å; M643-A645 PolarHBondContact O-N 2.96Å; A645-L648 WeakPolarHBondContact O-CB 3.3Å; A645-L648 PolarHBondContact O-N 2.87Å; A645-Q649 WeakPolarHBondContact O-CB 3.39Å; A645-Q649 PolarHBondContact O-N 2.91Å |
| 646 | R | 81.9 | Confident | 81.8 | Confident | 93 Ų | 93 | 28.2 Ų | 28.2 | 35% | 0.351 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 172.8 | -70.7 | -161.5 | 177.8 | 116.9 | 15.8 | 112.9 | E642 M643 L648 Q649 F650 I714 | E642-R646 PolarHBondContact O-N 3.44Å; E642-R646 IonicContact OE1-CZ 2.7Å; E642-R646 VanDerWaalsContact OE1-CZ 3.3Å; E642-R646 IonicContact OE1-NH1 2.76Å; E642-R646 PolarHBondContact OE1-NH1 2.85Å; E642-R646 IonicContact OE1-NH2 3.17Å; E642-R646 PolarHBondContact OE1-NH2 3.43Å; M643-R646 PolarHBondContact O-N 2.87Å; M643-R646 HydrophobicContact SD-CB 4.34Å; R646-L648 VanDerWaalsContact C-N 3.32Å; R646-L648 PolarHBondContact O-N 3.44Å; R646-Q649 PolarHBondContact O-N 3.49Å; R646-F650 WeakPolarHBondContact O-CB 3.46Å; R646-F650 PolarHBondContact O-N 3.33Å; R646-I714 HydrophobicContact CB-CG2 3.91Å |
| 647 | V | 89.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 173.6 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | W612 I636 F639 M643 R644 Q649 F650 V651 L710 I714 | W612-V647 HydrophobicContact CH2-CB 4.04Å; W612-V647 HydrophobicContact CH2-CG1 3.77Å; W612-V647 HydrophobicContact CZ2-CG1 4.23Å; I636-V647 HydrophobicContact CD1-CB 4.27Å; I636-V647 HydrophobicContact CD1-CG1 3.81Å; I636-V647 HydrophobicContact CD1-CG2 3.98Å; F639-V647 HydrophobicContact CD2-CG2 3.94Å; F639-V647 HydrophobicContact CE2-CG2 3.74Å; M643-V647 WeakPolarHBondContact O-CG2 3.48Å; M643-V647 PolarHBondContact O-N 3.27Å; R644-V647 PolarHBondContact O-N 2.98Å; V647-Q649 VanDerWaalsContact C-N 3.35Å; V647-F650 PolarHBondContact O-N 2.6Å; V647-V651 WeakPolarHBondContact O-CG2 3.4Å; V647-V651 PolarHBondContact O-N 2.94Å; V647-V651 VanDerWaalsContact O-N 3.12Å; V647-L710 HydrophobicContact CG2-CD2 4.49Å; V647-I714 HydrophobicContact CB-CD1 4.23Å; V647-I714 HydrophobicContact CG2-CD1 3.51Å |
| 648 | L | 87.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 178.3 | -173.6 | 57.2 | 0 | 0 | 0 | 111.3 | I607 W612 R644 A645 R646 V651 S652 T654 V657 F662 F674 | I607-L648 HydrophobicContact CD1-CB 4.46Å; I607-L648 HydrophobicContact CD1-CD2 4.13Å; W612-L648 HydrophobicContact CH2-CB 4.18Å; W612-L648 HydrophobicContact CZ2-CD1 4.17Å; R644-L648 PolarHBondContact O-N 3.22Å; A645-L648 WeakPolarHBondContact O-CB 3.3Å; A645-L648 PolarHBondContact O-N 2.87Å; R646-L648 VanDerWaalsContact C-N 3.32Å; R646-L648 PolarHBondContact O-N 3.44Å; L648-V651 PolarHBondContact O-N 3.39Å; L648-S652 WeakPolarHBondContact O-CA 3.32Å; L648-S652 VanDerWaalsContact O-CB 3.31Å; L648-S652 WeakPolarHBondContact O-CB 3.49Å; L648-S652 PolarHBondContact O-N 3.44Å; L648-S652 PolarHBondContact O-OG 2.97Å; L648-T654 CarbonylContact C-O 3.55Å; L648-T654 WeakPolarHBondContact CG-O 3.45Å; L648-V657 HydrophobicContact CD2-CG2 3.56Å; L648-F662 HydrophobicContact CD1-CE1 3.66Å; L648-F662 HydrophobicContact CD1-CZ 4.26Å; L648-F662 HydrophobicContact CD2-CE1 4.31Å; L648-F662 HydrophobicContact CD2-CZ 4.17Å; L648-F674 HydrophobicContact CD1-CD2 4.47Å |
| 649 | Q | 81 | Confident | 79.7 | Confident | 38 Ų | 38 | 28.5 Ų | 28.5 | 18% | 0.178 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -45.4 | 176.8 | -175.2 | -170.8 | -14.1 | 0 | 0 | 111.5 | F441 A645 R646 V647 V651 G653 T654 | F441-Q649 HydrophobicContact CE2-CG 4.38Å; F441-Q649 HydrophobicContact CZ-CG 4.27Å; A645-Q649 WeakPolarHBondContact O-CB 3.39Å; A645-Q649 PolarHBondContact O-N 2.91Å; R646-Q649 PolarHBondContact O-N 3.49Å; V647-Q649 VanDerWaalsContact C-N 3.35Å; Q649-V651 VanDerWaalsContact C-N 3.3Å; Q649-V651 PolarHBondContact O-N 2.81Å; Q649-G653 WeakPolarHBondContact O-CA 3.47Å; Q649-G653 PolarHBondContact O-N 3.5Å; Q649-T654 WeakPolarHBondContact CA-O 3.44Å; Q649-T654 PolarHBondContact N-O 3.03Å |
| 650 | F | 83.9 | Confident | 79.1 | Confident | 27 Ų | 27 | 29.9 Ų | 29.9 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.9 | -46.7 | 175.4 | 175.9 | -111.9 | 0 | 0 | 0 | 111.5 | R646 V647 A688 L695 A713 I714 | R646-F650 WeakPolarHBondContact O-CB 3.46Å; R646-F650 PolarHBondContact O-N 3.33Å; V647-F650 PolarHBondContact O-N 2.6Å; F650-A688 HydrophobicContact CD1-CB 4.07Å; F650-A688 HydrophobicContact CD2-CB 4.41Å; F650-A688 HydrophobicContact CE1-CB 3.89Å; F650-A688 HydrophobicContact CE2-CB 4.24Å; F650-A688 HydrophobicContact CG-CB 4.33Å; F650-A688 HydrophobicContact CZ-CB 3.98Å; F650-A688 WeakPolarHBondContact O-CB 3.49Å; F650-L695 HydrophobicContact CD1-CD1 4.37Å; F650-L695 HydrophobicContact CE1-CD1 3.86Å; F650-A713 HydrophobicContact CE2-CB 4.42Å; F650-A713 HydrophobicContact CZ-CB 3.96Å; F650-I714 HydrophobicContact CB-CG1 3.99Å; F650-I714 HydrophobicContact CD1-CG1 4.16Å; F650-I714 HydrophobicContact CD2-CG1 4.46Å; F650-I714 HydrophobicContact CG-CG1 3.96Å |
| 651 | V | 86 | Confident | 79.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -84.8 | -29.9 | -173.5 | -178.8 | 0 | 0 | 0 | 0 | 114.1 | V647 L648 Q649 F674 T690 L695 | V647-V651 WeakPolarHBondContact O-CG2 3.4Å; V647-V651 PolarHBondContact O-N 2.94Å; V647-V651 VanDerWaalsContact O-N 3.12Å; L648-V651 PolarHBondContact O-N 3.39Å; Q649-V651 VanDerWaalsContact C-N 3.3Å; Q649-V651 PolarHBondContact O-N 2.81Å; V651-F674 HydrophobicContact CB-CD2 4.49Å; V651-F674 HydrophobicContact CB-CE2 3.55Å; V651-F674 HydrophobicContact CB-CZ 4.03Å; V651-F674 HydrophobicContact CG1-CD2 3.92Å; V651-F674 HydrophobicContact CG1-CE2 3.26Å; V651-F674 HydrophobicContact CG1-CZ 3.67Å; V651-F674 HydrophobicContact CG2-CE2 4Å; V651-F674 HydrophobicContact CG2-CZ 3.98Å; V651-T690 WeakPolarHBondContact O-CA 3.41Å; V651-L695 HydrophobicContact CG1-CB 3.96Å; V651-L695 HydrophobicContact CG2-CB 3.9Å; V651-L695 HydrophobicContact CG2-CD1 3.92Å; V651-L695 HydrophobicContact CG2-CD2 4.43Å; V651-L695 HydrophobicContact CG2-CG 4.3Å |
| 652 | S | 79.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -120.8 | -7.1 | -170.6 | 75.8 | 0 | 0 | 0 | 0 | 113.8 | R437 L648 T654 N693 | R437-S652 PolarHBondContact NE-O 3.01Å; R437-S652 PolarHBondContact NH1-O 2.97Å; L648-S652 WeakPolarHBondContact O-CA 3.32Å; L648-S652 VanDerWaalsContact O-CB 3.31Å; L648-S652 WeakPolarHBondContact O-CB 3.49Å; L648-S652 PolarHBondContact O-N 3.44Å; L648-S652 PolarHBondContact O-OG 2.97Å; S652-T654 PolarHBondContact O-N 3.47Å; S652-T654 WeakPolarHBondContact OG-CG2 3.19Å; S652-T654 PolarHBondContact OG-N 2.96Å; S652-T654 PolarHBondContact OG-O 3.1Å; S652-N693 WeakPolarHBondContact CB-OD1 3.2Å |
| 653 | G | 71 | Confident | 79.9 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 8% | 0.082 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 67.5 | 14.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q649 | Q649-G653 WeakPolarHBondContact O-CA 3.47Å; Q649-G653 PolarHBondContact O-N 3.5Å |
| 654 | T | 70.2 | Confident | 80 | Confident | 18 Ų | 18 | 24.5 Ų | 24.5 | 11% | 0.11 | 11% | 0.113 | C | C | . | . | trans | -138.4 | 139 | 170.5 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | L648 Q649 S652 R656 | L648-T654 CarbonylContact C-O 3.55Å; L648-T654 WeakPolarHBondContact CG-O 3.45Å; Q649-T654 WeakPolarHBondContact CA-O 3.44Å; Q649-T654 PolarHBondContact N-O 3.03Å; S652-T654 PolarHBondContact O-N 3.47Å; S652-T654 WeakPolarHBondContact OG-CG2 3.19Å; S652-T654 PolarHBondContact OG-N 2.96Å; S652-T654 PolarHBondContact OG-O 3.1Å; T654-R656 PolarHBondContact O-N 2.61Å; T654-R656 PolarHBondContact OG1-N 3.02Å | ||
| 655 | S | 71.7 | Confident | 79.6 | Confident | 6 Ų | 6 | 23.7 Ų | 23.7 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -79.5 | -2.8 | 172.7 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | F441 D500 | F441-S655 WeakPolarHBondContact CE2-OG 3.18Å; D500-S655 PolarHBondContact OD2-OG 3.39Å |
| 656 | R | 74.9 | Confident | 79.2 | Confident | 34 Ų | 34 | 25.8 Ų | 25.8 | 13% | 0.128 | 12% | 0.116 | C | C | . | . | trans | -121.4 | 147.9 | -165.2 | -56.5 | -61.3 | 175.3 | -168.6 | -3.7 | 113.2 | L498 D500 T654 | L498-R656 HydrophobicContact CB-CB 4.37Å; L498-R656 HydrophobicContact CD1-CB 3.65Å; D500-R656 IonicContact OD1-CZ 3.64Å; D500-R656 IonicContact OD1-NE 2.76Å; D500-R656 PolarHBondContact OD1-NE 3.1Å; D500-R656 IonicContact OD1-NH2 3.29Å; D500-R656 PolarHBondContact OD1-NH2 2.77Å; D500-R656 IonicContact OD2-NH2 3.44Å; T654-R656 PolarHBondContact O-N 2.61Å; T654-R656 PolarHBondContact OG1-N 3.02Å | ||
| 657 | V | 81.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -100.5 | 134.5 | 178.6 | -172.2 | 0 | 0 | 0 | 0 | 109 | L604 I607 L648 F662 | L604-V657 HydrophobicContact CB-CB 4.16Å; L604-V657 HydrophobicContact CD1-CB 4.11Å; L604-V657 HydrophobicContact CD1-CG1 4.05Å; L604-V657 HydrophobicContact CG-CB 4.37Å; L604-V657 PolarHBondContact N-O 3.43Å; I607-V657 HydrophobicContact CG1-CG2 3.93Å; I607-V657 HydrophobicContact CG2-CG2 4.44Å; L648-V657 HydrophobicContact CD2-CG2 3.56Å; V657-F662 HydrophobicContact CB-CE2 4.21Å; V657-F662 HydrophobicContact CB-CZ 4.5Å; V657-F662 HydrophobicContact CG1-CD2 3.6Å; V657-F662 HydrophobicContact CG1-CE2 3.66Å; V657-F662 HydrophobicContact CG1-CG 4.15Å; V657-F662 HydrophobicContact CG1-CZ 4.23Å; V657-F662 HydrophobicContact CG2-CD2 4.22Å; V657-F662 HydrophobicContact CG2-CE1 4.25Å; V657-F662 HydrophobicContact CG2-CE2 3.4Å; V657-F662 VanDerWaalsContact CG2-CE2 3.4Å; V657-F662 HydrophobicContact CG2-CZ 3.41Å; V657-F662 VanDerWaalsContact CG2-CZ 3.41Å |
| 658 | P | 73.4 | Confident | 77.5 | Confident | 20 Ų | 20 | 22.5 Ų | 22.5 | 13% | 0.13 | 11% | 0.108 | C | C | . | . | trans | -54.6 | 151.2 | 171 | -25 | 34.5 | 0 | 0 | 0 | 111.4 | N660 G661 E664 L665 | P658-N660 PolarHBondContact O-N 2.81Å; P658-G661 WeakPolarHBondContact O-CA 3.45Å; P658-G661 PolarHBondContact O-N 3.31Å; P658-E664 WeakPolarHBondContact CG-O 3.44Å; P658-L665 HydrophobicContact CG-CD2 4.16Å | ||
| 659 | M | 67.2 | Low | 76.4 | Confident | 18 Ų | 18 | 28.9 Ų | 28.9 | 9% | 0.089 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.9 | -176.6 | -171.5 | -120.4 | -117 | 0 | 0 | 113.8 | Y366 Y370 L599 L604 G661 | Y366-M659 HydrophobicContact CD1-CE 3.69Å; Y366-M659 HydrophobicContact CD1-CG 4.4Å; Y366-M659 HydrophobicContact CD1-SD 4.29Å; Y366-M659 HydrophobicContact CD2-CE 4.15Å; Y366-M659 HydrophobicContact CD2-CG 3.75Å; Y366-M659 HydrophobicContact CD2-SD 3.64Å; Y366-M659 HydrophobicContact CE1-CE 4.18Å; Y366-M659 HydrophobicContact CE1-CG 4.2Å; Y366-M659 HydrophobicContact CE2-CG 3.44Å; Y366-M659 VanDerWaalsContact CE2-CG 3.44Å; Y366-M659 HydrophobicContact CE2-SD 4.01Å; Y366-M659 HydrophobicContact CG-CE 3.69Å; Y366-M659 HydrophobicContact CG-CG 4.21Å; Y366-M659 HydrophobicContact CG-SD 3.78Å; Y370-M659 HydrophobicContact CD1-CE 3.08Å; Y370-M659 HydrophobicContact CD1-SD 3.22Å; Y370-M659 WeakPolarHBondContact CD1-SD 3.34Å; Y370-M659 HydrophobicContact CD2-CE 3.63Å; Y370-M659 HydrophobicContact CE1-CB 4.29Å; Y370-M659 HydrophobicContact CE1-CE 3.22Å; Y370-M659 HydrophobicContact CE1-CG 4.3Å; Y370-M659 HydrophobicContact CE1-SD 3.31Å; Y370-M659 WeakPolarHBondContact CE1-SD 3.37Å; Y370-M659 HydrophobicContact CE2-CE 3.77Å; Y370-M659 HydrophobicContact CG-CE 3.26Å; Y370-M659 HydrophobicContact CG-SD 4Å; L599-M659 HydrophobicContact CB-CB 4.49Å; L599-M659 HydrophobicContact CB-CE 4.13Å; L599-M659 HydrophobicContact CB-CG 4.22Å; L599-M659 HydrophobicContact CD1-CE 3.58Å; L599-M659 HydrophobicContact CD1-CG 4.3Å; L599-M659 HydrophobicContact CD2-CG 4.19Å; L599-M659 HydrophobicContact CG-CE 4.44Å; L599-M659 HydrophobicContact CG-CG 4.49Å; L604-M659 HydrophobicContact CD2-CG 4.45Å; M659-G661 PolarHBondContact O-N 3.11Å; M659-G661 VanDerWaalsContact O-N 3.14Å |
| 660 | N | 73.2 | Confident | 76 | Confident | 44 Ų | 44 | 28.2 Ų | 28.2 | 24% | 0.235 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 12.4 | 174.1 | -72.1 | -41.5 | 0 | 0 | 0 | 113.6 | P658 E664 | P658-N660 PolarHBondContact O-N 2.81Å; N660-E664 HydrophobicContact CB-CB 4.17Å; N660-E664 VanDerWaalsContact CB-CD 3.48Å; N660-E664 HydrophobicContact CB-CG 3.95Å; N660-E664 WeakPolarHBondContact CB-OE2 3.28Å; N660-E664 PolarHBondContact ND2-OE1 3.3Å; N660-E664 PolarHBondContact ND2-OE2 2.92Å |
| 661 | G | 81.3 | Confident | 75.8 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | trans | 78.5 | -167.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | D611 P658 M659 R663 E664 | D611-G661 WeakPolarHBondContact OD2-CA 3.38Å; P658-G661 WeakPolarHBondContact O-CA 3.45Å; P658-G661 PolarHBondContact O-N 3.31Å; M659-G661 PolarHBondContact O-N 3.11Å; M659-G661 VanDerWaalsContact O-N 3.14Å; G661-R663 PolarHBondContact O-N 2.9Å; G661-R663 VanDerWaalsContact O-N 3.14Å; G661-E664 PolarHBondContact O-N 2.8Å | ||
| 662 | F | 87.9 | Confident | 75.6 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -63.9 | -18.2 | -179 | -77.9 | -95.2 | 0 | 0 | 0 | 113.6 | I607 D611 W612 N615 L648 V657 E664 L665 | I607-F662 HydrophobicContact CG2-CE2 3.91Å; I607-F662 HydrophobicContact CG2-CZ 3.85Å; D611-F662 WeakPolarHBondContact OD2-CD2 3.31Å; D611-F662 PolarHBondContact OD2-N 2.86Å; W612-F662 VanDerWaalsContact CA-CG 3.47Å; W612-F662 HydrophobicContact CB-CD1 4.03Å; W612-F662 HydrophobicContact CB-CD2 3.6Å; W612-F662 HydrophobicContact CB-CE1 3.9Å; W612-F662 HydrophobicContact CB-CE2 3.42Å; W612-F662 VanDerWaalsContact CB-CE2 3.42Å; W612-F662 HydrophobicContact CB-CG 3.92Å; W612-F662 HydrophobicContact CB-CZ 3.58Å; W612-F662 AromaticContact CD1-CD1 3.23Å; W612-F662 AromaticContact CD1-CE1 3.17Å; W612-F662 AromaticContact CD1-CG 3.92Å; W612-F662 AromaticContact CD1-CZ 3.76Å; W612-F662 HydrophobicContact CD2-CD1 4.27Å; W612-F662 AromaticContact CD2-CE1 3.44Å; W612-F662 HydrophobicContact CD2-CE1 3.44Å; W612-F662 VanDerWaalsContact CD2-CE1 3.44Å; W612-F662 HydrophobicContact CD2-CE2 4.15Å; W612-F662 AromaticContact CD2-CZ 3.36Å; W612-F662 HydrophobicContact CD2-CZ 3.36Å; W612-F662 AromaticContact CE2-CE1 3.54Å; W612-F662 AromaticContact CE2-CZ 3.92Å; W612-F662 HydrophobicContact CE3-CE1 4.22Å; W612-F662 HydrophobicContact CE3-CE2 4.47Å; W612-F662 AromaticContact CE3-CZ 3.73Å; W612-F662 HydrophobicContact CE3-CZ 3.73Å; W612-F662 AromaticContact CG-CD1 3.6Å; W612-F662 HydrophobicContact CG-CD1 3.6Å; W612-F662 HydrophobicContact CG-CD2 4.07Å; W612-F662 AromaticContact CG-CE1 3.24Å; W612-F662 HydrophobicContact CG-CE1 3.24Å; W612-F662 AromaticContact CG-CE2 3.72Å; W612-F662 HydrophobicContact CG-CE2 3.72Å; W612-F662 HydrophobicContact CG-CG 4.02Å; W612-F662 AromaticContact CG-CZ 3.3Å; W612-F662 HydrophobicContact CG-CZ 3.3Å; W612-F662 HydrophobicContact CZ2-CE1 4.36Å; W612-F662 HydrophobicContact CZ3-CZ 4.5Å; W612-F662 AromaticContact NE1-CD1 3.78Å; W612-F662 AromaticContact NE1-CE1 3.39Å; N615-F662 HydrophobicContact CB-CB 3.65Å; L648-F662 HydrophobicContact CD1-CE1 3.66Å; L648-F662 HydrophobicContact CD1-CZ 4.26Å; L648-F662 HydrophobicContact CD2-CE1 4.31Å; L648-F662 HydrophobicContact CD2-CZ 4.17Å; V657-F662 HydrophobicContact CB-CE2 4.21Å; V657-F662 HydrophobicContact CB-CZ 4.5Å; V657-F662 HydrophobicContact CG1-CD2 3.6Å; V657-F662 HydrophobicContact CG1-CE2 3.66Å; V657-F662 HydrophobicContact CG1-CG 4.15Å; V657-F662 HydrophobicContact CG1-CZ 4.23Å; V657-F662 HydrophobicContact CG2-CD2 4.22Å; V657-F662 HydrophobicContact CG2-CE1 4.25Å; V657-F662 HydrophobicContact CG2-CE2 3.4Å; V657-F662 VanDerWaalsContact CG2-CE2 3.4Å; V657-F662 HydrophobicContact CG2-CZ 3.41Å; V657-F662 VanDerWaalsContact CG2-CZ 3.41Å; F662-E664 PolarHBondContact O-N 3.47Å; F662-L665 HydrophobicContact CB-CD1 4.43Å; F662-L665 HydrophobicContact CD1-CD1 3.51Å; F662-L665 HydrophobicContact CD1-CG 4.16Å; F662-L665 HydrophobicContact CE1-CD1 4.2Å; F662-L665 HydrophobicContact CG-CD1 4.37Å; F662-L665 PolarHBondContact O-N 2.87Å |
| 663 | R | 85.6 | Confident | 76.2 | Confident | 137 Ų | 137 | 38.4 Ų | 38.4 | 52% | 0.517 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -59 | -33.4 | 174.7 | -173.3 | 169.3 | 60.2 | -166.2 | -7.7 | 112.5 | N615 G661 | N615-R663 WeakPolarHBondContact OD1-CA 3.46Å; N615-R663 VanDerWaalsContact OD1-CB 3.26Å; N615-R663 WeakPolarHBondContact OD1-CB 3.39Å; G661-R663 PolarHBondContact O-N 2.9Å; G661-R663 VanDerWaalsContact O-N 3.14Å |
| 664 | E | 82.3 | Confident | 77.3 | Confident | 33 Ų | 33 | 38 Ų | 38 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -109.9 | 27.5 | -176.8 | -66.7 | -172.1 | -169.6 | 0 | 0 | 112.9 | K371 P658 N660 G661 F662 Y666 L671 | K371-E664 IonicContact NZ-OE1 2.71Å; P658-E664 WeakPolarHBondContact CG-O 3.44Å; N660-E664 HydrophobicContact CB-CB 4.17Å; N660-E664 VanDerWaalsContact CB-CD 3.48Å; N660-E664 HydrophobicContact CB-CG 3.95Å; N660-E664 WeakPolarHBondContact CB-OE2 3.28Å; N660-E664 PolarHBondContact ND2-OE1 3.3Å; N660-E664 PolarHBondContact ND2-OE2 2.92Å; G661-E664 PolarHBondContact O-N 2.8Å; F662-E664 PolarHBondContact O-N 3.47Å; E664-Y666 WeakPolarHBondContact O-CD2 3.21Å; E664-Y666 WeakPolarHBondContact O-CE2 3.49Å; E664-Y666 PolarHBondContact O-N 3.42Å; E664-L671 HydrophobicContact CB-CD2 4.06Å; E664-L671 HydrophobicContact CG-CD2 4.33Å |
| 665 | L | 80.9 | Confident | 78.4 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | trans | -55.9 | 136.8 | 166.9 | -79.4 | 176 | 0 | 0 | 0 | 110.6 | P658 F662 L671 Q672 F674 | P658-L665 HydrophobicContact CG-CD2 4.16Å; F662-L665 HydrophobicContact CB-CD1 4.43Å; F662-L665 HydrophobicContact CD1-CD1 3.51Å; F662-L665 HydrophobicContact CD1-CG 4.16Å; F662-L665 HydrophobicContact CE1-CD1 4.2Å; F662-L665 HydrophobicContact CG-CD1 4.37Å; F662-L665 PolarHBondContact O-N 2.87Å; L665-L671 CarbonylContact O-C 3.51Å; L665-L671 WeakPolarHBondContact O-CA 3.06Å; L665-Q672 CarbonylContact C-O 3.46Å; L665-Q672 VanDerWaalsContact CB-O 3.23Å; L665-Q672 WeakPolarHBondContact CB-O 3.23Å; L665-Q672 CarbonylContact O-C 3.59Å; L665-Q672 PolarHBondContact O-N 2.87Å; L665-Q672 VanDerWaalsContact O-O 3.13Å; L665-F674 HydrophobicContact CD1-CB 3.84Å | ||
| 666 | Y | 72.9 | Confident | 79.7 | Confident | 56 Ų | 56 | 36.9 Ų | 36.9 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.4 | 176.4 | -78.6 | -96.2 | 0 | 0 | 0 | 110 | R378 R437 E664 G670 L671 N693 | R378-Y666 VanDerWaalsContact CZ-OH 3.3Å; R378-Y666 PolarHBondContact NH1-OH 3.05Å; R378-Y666 PolarHBondContact NH2-OH 3.09Å; R437-Y666 PolarHBondContact NH1-O 2.83Å; E664-Y666 WeakPolarHBondContact O-CD2 3.21Å; E664-Y666 WeakPolarHBondContact O-CE2 3.49Å; E664-Y666 PolarHBondContact O-N 3.42Å; Y666-G670 CarbonylContact C-O 3.52Å; Y666-G670 WeakPolarHBondContact CA-O 3.13Å; Y666-L671 HydrophobicContact CD1-CD2 4.5Å; Y666-L671 HydrophobicContact CD2-CD2 4.28Å; Y666-L671 HydrophobicContact CE1-CD2 4.04Å; Y666-L671 HydrophobicContact CE2-CD2 3.79Å; Y666-N693 PolarHBondContact O-ND2 2.89Å |
| 667 | G | 70.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -157.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | N669 G670 C691 | G667-N669 PolarHBondContact O-N 2.78Å; G667-G670 PolarHBondContact N-O 2.85Å; G667-C691 WeakPolarHBondContact CA-O 3.29Å |
| 668 | S | 63.9 | Low | 81.4 | Confident | 21 Ų | 21 | 44 Ų | 44 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -45.1 | 179.1 | 44.2 | 0 | 0 | 0 | 0 | 115 | Y432 C691 | Y432-S668 VanDerWaalsContact C-CB 3.49Å; Y432-S668 CarbonylContact O-C 3.58Å; Y432-S668 WeakPolarHBondContact O-CA 3.35Å; Y432-S668 WeakPolarHBondContact O-CB 3.4Å; S668-C691 PolarHBondContact N-O 3.06Å; S668-C691 PolarHBondContact OG-O 2.81Å |
| 669 | N | 66.2 | Low | 82.1 | Confident | 133 Ų | 133 | 46.1 Ų | 46.1 | 71% | 0.711 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 28.7 | -170.7 | -66.5 | -26.9 | 0 | 0 | 0 | 113 | G667 | G667-N669 PolarHBondContact O-N 2.78Š|
| 670 | G | 71.8 | Confident | 83.3 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 26% | 0.258 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 107 | -144.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y666 G667 Q672 | Y666-G670 CarbonylContact C-O 3.52Å; Y666-G670 WeakPolarHBondContact CA-O 3.13Å; G667-G670 PolarHBondContact N-O 2.85Å; G670-Q672 PolarHBondContact O-N 2.84Å |
| 671 | L | 80.2 | Confident | 84.1 | Confident | 108 Ų | 108 | 47.2 Ų | 47.2 | 57% | 0.565 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 122.6 | -176.4 | -66.5 | 177.6 | 0 | 0 | 0 | 111.2 | E664 L665 Y666 | E664-L671 HydrophobicContact CB-CD2 4.06Å; E664-L671 HydrophobicContact CG-CD2 4.33Å; L665-L671 CarbonylContact O-C 3.51Å; L665-L671 WeakPolarHBondContact O-CA 3.06Å; Y666-L671 HydrophobicContact CD1-CD2 4.5Å; Y666-L671 HydrophobicContact CD2-CD2 4.28Å; Y666-L671 HydrophobicContact CE1-CD2 4.04Å; Y666-L671 HydrophobicContact CE2-CD2 3.79Å |
| 672 | Q | 82.6 | Confident | 84.5 | Confident | 57 Ų | 57 | 48.3 Ų | 48.3 | 27% | 0.266 | 25% | 0.246 | S | C | . | . | trans | -144.3 | 110.4 | -179.6 | 179.4 | 55.7 | 69.8 | 0 | 0 | 109.3 | L665 G670 F692 N693 | L665-Q672 CarbonylContact C-O 3.46Å; L665-Q672 VanDerWaalsContact CB-O 3.23Å; L665-Q672 WeakPolarHBondContact CB-O 3.23Å; L665-Q672 CarbonylContact O-C 3.59Å; L665-Q672 PolarHBondContact O-N 2.87Å; L665-Q672 VanDerWaalsContact O-O 3.13Å; G670-Q672 PolarHBondContact O-N 2.84Å; Q672-F692 WeakPolarHBondContact CG-O 3.37Å; Q672-N693 HydrophobicContact CG-CB 4.4Å; Q672-N693 PolarHBondContact O-ND2 2.64Å | ||
| 673 | K | 90.6 | Very high | 84.6 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 33% | 0.326 | 27% | 0.274 | S | S | . | . | trans | -65.7 | 151 | 177.1 | -69.6 | -170 | 175.4 | -161.8 | 0 | 111.8 | N615 I617 T675 | N615-K673 WeakPolarHBondContact O-CD 3.18Å; I617-K673 HydrophobicContact CD1-CB 3.81Å; I617-K673 HydrophobicContact CD1-CD 4.06Å; I617-K673 HydrophobicContact CD1-CG 4.37Å; I617-K673 HydrophobicContact CG1-CB 3.98Å; I617-K673 HydrophobicContact CG1-CD 4.06Å; K673-T675 PolarHBondContact O-N 2.97Å; K673-T675 PolarHBondContact O-OG1 2.75Å; K673-T675 VanDerWaalsContact O-OG1 3.11Å | ||
| 674 | F | 93.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -53.8 | 131.6 | 167.4 | -167.3 | -90.1 | 0 | 0 | 0 | 109.5 | W612 T616 I617 F632 L648 V651 L665 I676 N693 L695 | W612-F674 AromaticContact CE2-CE2 3.82Å; W612-F674 AromaticContact CE2-CZ 3.97Å; W612-F674 HydrophobicContact CZ2-CD2 4.15Å; W612-F674 HydrophobicContact CZ2-CE1 4.4Å; W612-F674 AromaticContact CZ2-CE2 3.51Å; W612-F674 HydrophobicContact CZ2-CE2 3.51Å; W612-F674 AromaticContact CZ2-CZ 3.67Å; W612-F674 HydrophobicContact CZ2-CZ 3.67Å; W612-F674 AromaticContact NE1-CD1 3.43Å; W612-F674 AromaticContact NE1-CD2 3.33Å; W612-F674 VanDerWaalsContact NE1-CD2 3.33Å; W612-F674 AromaticContact NE1-CE1 3.63Å; W612-F674 AromaticContact NE1-CE2 3.5Å; W612-F674 AromaticContact NE1-CG 3.28Å; W612-F674 VanDerWaalsContact NE1-CG 3.28Å; W612-F674 AromaticContact NE1-CZ 3.67Å; T616-F674 CarbonylContact C-O 3.56Å; T616-F674 WeakPolarHBondContact CA-O 3.1Å; T616-F674 HydrophobicContact CG2-CD1 3.78Å; T616-F674 HydrophobicContact CG2-CE1 4.46Å; T616-F674 WeakPolarHBondContact OG1-CD1 3.42Å; I617-F674 PolarHBondContact N-O 3.1Å; F632-F674 HydrophobicContact CE1-CE1 4.43Å; F632-F674 HydrophobicContact CZ-CE1 4.26Å; F632-F674 HydrophobicContact CZ-CZ 4.23Å; L648-F674 HydrophobicContact CD1-CD2 4.47Å; V651-F674 HydrophobicContact CB-CD2 4.49Å; V651-F674 HydrophobicContact CB-CE2 3.55Å; V651-F674 HydrophobicContact CB-CZ 4.03Å; V651-F674 HydrophobicContact CG1-CD2 3.92Å; V651-F674 HydrophobicContact CG1-CE2 3.26Å; V651-F674 HydrophobicContact CG1-CZ 3.67Å; V651-F674 HydrophobicContact CG2-CE2 4Å; V651-F674 HydrophobicContact CG2-CZ 3.98Å; L665-F674 HydrophobicContact CD1-CB 3.84Å; F674-I676 HydrophobicContact CD1-CG1 4.15Å; F674-I676 HydrophobicContact CE1-CD1 4.04Å; F674-I676 HydrophobicContact CE1-CG1 3.63Å; F674-N693 CarbonylContact C-O 3.02Å; F674-N693 WeakPolarHBondContact CA-O 3.28Å; F674-L695 HydrophobicContact CZ-CB 4.47Å | ||
| 675 | T | 95.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.4 | -174.6 | -58.1 | 0 | 0 | 0 | 0 | 110.1 | I617 K619 K673 N693 R694 L695 | I617-T675 HydrophobicContact CB-CG2 4.41Å; I617-T675 HydrophobicContact CG2-CG2 4.43Å; I617-T675 CarbonylContact O-C 3.54Å; I617-T675 VanDerWaalsContact O-CA 3.23Å; I617-T675 WeakPolarHBondContact O-CA 3.36Å; K619-T675 HydrophobicContact CD-CG2 3.87Å; K619-T675 HydrophobicContact CG-CG2 4.01Å; K673-T675 PolarHBondContact O-N 2.97Å; K673-T675 PolarHBondContact O-OG1 2.75Å; K673-T675 VanDerWaalsContact O-OG1 3.11Å; T675-N693 PolarHBondContact N-O 3.47Å; T675-R694 HydrophobicContact CG2-CG 4.18Å; T675-R694 CarbonylContact O-C 3.43Å; T675-R694 VanDerWaalsContact O-CA 3.25Å; T675-R694 WeakPolarHBondContact O-CA 3.36Å; T675-L695 PolarHBondContact O-N 3.21Å |
| 676 | I | 97.6 | Very high | 86 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.1 | 170 | -55.8 | -179.5 | 0 | 0 | 0 | 108.1 | T616 I617 Y618 K619 Y622 F632 W633 F674 L695 L697 | T616-I676 HydrophobicContact CG2-CD1 4.08Å; T616-I676 HydrophobicContact CG2-CG1 3.9Å; I617-I676 PolarHBondContact O-N 2.94Å; Y618-I676 CarbonylContact C-O 3.54Å; Y618-I676 WeakPolarHBondContact CA-O 3.28Å; Y618-I676 HydrophobicContact CD1-CB 4.12Å; Y618-I676 HydrophobicContact CE1-CB 4.49Å; Y618-I676 HydrophobicContact CE1-CD1 4.07Å; K619-I676 PolarHBondContact N-O 3.16Å; Y622-I676 HydrophobicContact CD2-CG2 4.09Å; Y622-I676 HydrophobicContact CE2-CG2 4.48Å; F632-I676 HydrophobicContact CD1-CD1 3.44Å; F632-I676 VanDerWaalsContact CD1-CD1 3.44Å; F632-I676 HydrophobicContact CE1-CD1 3.47Å; F632-I676 VanDerWaalsContact CE1-CD1 3.47Å; F632-I676 HydrophobicContact CG-CD1 4.01Å; F632-I676 HydrophobicContact CZ-CD1 4.05Å; W633-I676 HydrophobicContact CZ2-CD1 4.44Å; F674-I676 HydrophobicContact CD1-CG1 4.15Å; F674-I676 HydrophobicContact CE1-CD1 4.04Å; F674-I676 HydrophobicContact CE1-CG1 3.63Å; I676-L695 WeakPolarHBondContact CA-O 3.3Å; I676-L697 HydrophobicContact CG2-CB 3.79Å; I676-L697 HydrophobicContact CG2-CD2 3.81Å; I676-L697 HydrophobicContact CG2-CG 4.48Å |
| 677 | E | 96.4 | Very high | 86.8 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134 | -177.6 | -172.9 | 157.7 | -174.3 | 0 | 0 | 110.6 | K619 W679 R694 L695 D696 L697 | K619-E677 HydrophobicContact CB-CB 3.98Å; K619-E677 HydrophobicContact CB-CG 3.72Å; E677-W679 PolarHBondContact O-N 2.93Å; E677-R694 HydrophobicContact CB-CG 4.29Å; E677-R694 WeakPolarHBondContact OE2-CD 3.37Å; E677-R694 IonicContact OE2-CZ 3.97Å; E677-R694 IonicContact OE2-NE 2.79Å; E677-R694 PolarHBondContact OE2-NE 3.11Å; E677-R694 IonicContact OE2-NH1 3.66Å; E677-R694 PolarHBondContact OE2-NH1 2.87Å; E677-R694 IonicContact OE2-NH2 3.29Å; E677-L695 PolarHBondContact N-O 3.01Å; E677-D696 CarbonylContact O-C 3.59Å; E677-D696 WeakPolarHBondContact O-CA 3.3Å; E677-L697 PolarHBondContact O-N 3.06Å |
| 678 | R | 95.9 | Very high | 87.6 | Confident | 137 Ų | 137 | 55.8 Ų | 55.8 | 52% | 0.517 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 130.7 | 174.4 | -177.5 | 175.5 | -179.4 | -174.6 | 0 | 110.3 | K619 G620 Y622 | K619-R678 PolarHBondContact O-N 3.05Å; G620-R678 WeakPolarHBondContact O-CB 3.47Å; G620-R678 WeakPolarHBondContact O-CD 3.45Å; Y622-R678 HydrophobicContact CD1-CB 3.88Å; Y622-R678 HydrophobicContact CD1-CG 4.36Å; Y622-R678 HydrophobicContact CD2-CB 3.88Å; Y622-R678 HydrophobicContact CE1-CB 3.58Å; Y622-R678 HydrophobicContact CE1-CG 3.63Å; Y622-R678 HydrophobicContact CE2-CB 3.6Å; Y622-R678 HydrophobicContact CE2-CG 4.18Å; Y622-R678 HydrophobicContact CG-CB 4.02Å; Y622-R678 VanDerWaalsContact CZ-CB 3.44Å |
| 679 | W | 89.3 | Confident | 88.4 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | trans | -145.5 | 143.8 | 178.8 | 175.4 | 76.8 | 0 | 0 | 0 | 112.6 | E677 M684 L685 R687 D696 L697 P698 | E677-W679 PolarHBondContact O-N 2.93Å; W679-M684 HydrophobicContact CH2-CB 3.92Å; W679-M684 HydrophobicContact CH2-CG 4.2Å; W679-M684 HydrophobicContact CH2-SD 3.17Å; W679-M684 WeakPolarHBondContact CH2-SD 3.35Å; W679-M684 HydrophobicContact CZ2-SD 3.59Å; W679-M684 VanDerWaalsContact CZ2-SD 3.59Å; W679-M684 HydrophobicContact CZ3-CB 3.63Å; W679-M684 HydrophobicContact CZ3-CG 4.32Å; W679-M684 HydrophobicContact CZ3-SD 3.73Å; W679-L685 VanDerWaalsContact CZ3-O 3.28Å; W679-L685 WeakPolarHBondContact CZ3-O 3.12Å; W679-R687 VanDerWaalsContact CE2-CZ 3.45Å; W679-R687 HydrophobicContact CH2-CG 4.26Å; W679-R687 VanDerWaalsContact CH2-NE 3.25Å; W679-R687 VanDerWaalsContact CZ2-NH2 3.28Å; W679-R687 HydrophobicContact CZ3-CG 4.17Å; W679-D696 HydrophobicContact CB-CB 3.64Å; W679-D696 HydrophobicContact CD2-CB 4.23Å; W679-D696 HydrophobicContact CE3-CB 4.4Å; W679-D696 HydrophobicContact CG-CB 3.89Å; W679-L697 PolarHBondContact N-O 3.24Å; W679-P698 HydrophobicContact CE3-CG 3.91Å; W679-P698 HydrophobicContact CZ3-CG 4.16Å; W679-P698 WeakPolarHBondContact O-CA 3.47Å | ||
| 680 | G | 91 | Very high | 88.9 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 60.1 | -152.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 681 | S | 91 | Very high | 88.8 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | trans | -120.2 | 160 | -178.6 | 47.5 | 0 | 0 | 0 | 0 | 109.8 | D683 M684 P698 | S681-D683 WeakPolarHBondContact CB-OD1 3.42Å; S681-D683 PolarHBondContact O-N 2.52Å; S681-D683 PolarHBondContact OG-OD1 2.79Å; S681-M684 PolarHBondContact O-N 3.01Å; S681-M684 VanDerWaalsContact O-N 3.1Å; S681-M684 VanDerWaalsContact OG-CE 3.29Å; S681-M684 WeakPolarHBondContact OG-CE 3.33Å; S681-P698 WeakPolarHBondContact O-CB 3.48Å | ||
| 682 | A | 90.1 | Very high | 88.9 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y700 | A682-Y700 HydrophobicContact CB-CD1 4.4Å; A682-Y700 WeakPolarHBondContact O-CD1 3.43Å; A682-Y700 WeakPolarHBondContact O-CE1 3.34Å |
| 683 | D | 90 | Very high | 89.1 | Confident | 109 Ų | 109 | 49.2 Ų | 49.2 | 58% | 0.583 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -27.8 | 175.5 | 56 | -61.3 | 0 | 0 | 0 | 113.6 | S681 K709 | S681-D683 WeakPolarHBondContact CB-OD1 3.42Å; S681-D683 PolarHBondContact O-N 2.52Å; S681-D683 PolarHBondContact OG-OD1 2.79Å; D683-K709 PolarHBondContact O-NZ 2.83Å |
| 684 | M | 92.2 | Very high | 89.1 | Confident | 69 Ų | 69 | 48.5 Ų | 48.5 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -73.5 | 158.8 | -176.5 | -56.9 | -164.5 | -141 | 0 | 0 | 112.3 | W679 S681 P698 Y700 | W679-M684 HydrophobicContact CH2-CB 3.92Å; W679-M684 HydrophobicContact CH2-CG 4.2Å; W679-M684 HydrophobicContact CH2-SD 3.17Å; W679-M684 WeakPolarHBondContact CH2-SD 3.35Å; W679-M684 HydrophobicContact CZ2-SD 3.59Å; W679-M684 VanDerWaalsContact CZ2-SD 3.59Å; W679-M684 HydrophobicContact CZ3-CB 3.63Å; W679-M684 HydrophobicContact CZ3-CG 4.32Å; W679-M684 HydrophobicContact CZ3-SD 3.73Å; S681-M684 PolarHBondContact O-N 3.01Å; S681-M684 VanDerWaalsContact O-N 3.1Å; S681-M684 VanDerWaalsContact OG-CE 3.29Å; S681-M684 WeakPolarHBondContact OG-CE 3.33Å; M684-P698 HydrophobicContact CB-CG 4.38Å; M684-Y700 WeakPolarHBondContact O-CE1 3.23Å; M684-Y700 PolarHBondContact O-OH 2.78Å |
| 685 | L | 92.4 | Very high | 89.1 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -82.7 | 152.1 | 171.7 | -68.6 | 176 | 0 | 0 | 0 | 111.3 | W679 K709 T712 A713 | W679-L685 VanDerWaalsContact CZ3-O 3.28Å; W679-L685 WeakPolarHBondContact CZ3-O 3.12Å; L685-K709 HydrophobicContact CD2-CB 4.3Å; L685-K709 HydrophobicContact CD2-CD 3.63Å; L685-T712 HydrophobicContact CD1-CG2 4.32Å; L685-T712 HydrophobicContact CD2-CG2 4.01Å; L685-A713 HydrophobicContact CB-CB 4.36Å |
| 686 | P | 93.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 149.6 | 171 | -19 | 34.1 | 0 | 0 | 0 | 110.9 | L695 D696 L697 Y700 K709 L710 A713 | P686-L695 HydrophobicContact CB-CD1 3.87Å; P686-D696 WeakPolarHBondContact CA-O 3.41Å; P686-L697 HydrophobicContact CB-CD1 4.45Å; P686-L697 HydrophobicContact CG-CD1 4.25Å; P686-Y700 WeakPolarHBondContact CD-OH 3.46Å; P686-Y700 HydrophobicContact CG-CE2 4Å; P686-Y700 WeakPolarHBondContact CG-OH 3.4Å; P686-K709 WeakPolarHBondContact CD-O 3.3Å; P686-L710 HydrophobicContact CG-CD1 4.38Å; P686-A713 HydrophobicContact CG-CB 4.44Å |
| 687 | R | 89.5 | Confident | 89.1 | Confident | 110 Ų | 110 | 49 Ų | 49 | 42% | 0.415 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.1 | 175 | -62.1 | -172.6 | -57.9 | 160.1 | 12.3 | 110.3 | W679 D696 | W679-R687 VanDerWaalsContact CE2-CZ 3.45Å; W679-R687 HydrophobicContact CH2-CG 4.26Å; W679-R687 VanDerWaalsContact CH2-NE 3.25Å; W679-R687 VanDerWaalsContact CZ2-NH2 3.28Å; W679-R687 HydrophobicContact CZ3-CG 4.17Å; R687-D696 HydrophobicContact CB-CB 4.21Å; R687-D696 PolarHBondContact N-O 2.84Å; R687-D696 IonicContact NH2-OD2 3.48Å; R687-D696 WeakPolarHBondContact O-CB 3.48Å; R687-D696 PolarHBondContact O-N 3.09Å |
| 688 | A | 86.3 | Confident | 89.1 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F650 R694 | F650-A688 HydrophobicContact CD1-CB 4.07Å; F650-A688 HydrophobicContact CD2-CB 4.41Å; F650-A688 HydrophobicContact CE1-CB 3.89Å; F650-A688 HydrophobicContact CE2-CB 4.24Å; F650-A688 HydrophobicContact CG-CB 4.33Å; F650-A688 HydrophobicContact CZ-CB 3.98Å; F650-A688 WeakPolarHBondContact O-CB 3.49Å; A688-R694 CarbonylContact C-O 3.57Å; A688-R694 WeakPolarHBondContact CA-O 3.06Å |
| 689 | H | 81.2 | Confident | 89 | Confident | 70 Ų | 70 | 41.9 Ų | 41.9 | 32% | 0.324 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 86.2 | 165.8 | -54.2 | -95.5 | 0 | 0 | 0 | 107.9 | C691 F692 N693 R694 D696 | H689-C691 PolarHBondContact O-N 2.73Å; H689-F692 HydrophobicContact CB-CD2 3.97Å; H689-F692 CarbonylContact O-C 3.56Å; H689-F692 PolarHBondContact O-N 3.09Å; H689-N693 PolarHBondContact O-N 2.86Å; H689-N693 VanDerWaalsContact O-N 3.16Å; H689-R694 HydrophobicContact CB-CB 4.28Å; H689-R694 PolarHBondContact N-O 3.13Å; H689-R694 PolarHBondContact O-N 3.1Å; H689-D696 IonicContact CD2-OD1 3.95Å; H689-D696 PolarHBondContact CD2-OD1 2.73Å; H689-D696 IonicContact CD2-OD2 3.74Å; H689-D696 IonicContact CE1-OD2 2.77Å; H689-D696 VanDerWaalsContact NE2-CG 3.29Å; H689-D696 IonicContact NE2-OD1 3.5Å; H689-D696 PolarHBondContact NE2-OD1 2.84Å; H689-D696 IonicContact NE2-OD2 3.91Å; H689-D696 PolarHBondContact NE2-OD2 2.68Å |
| 690 | T | 75.7 | Confident | 89.3 | Confident | 39 Ų | 39 | 39 Ų | 39 | 24% | 0.239 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -50.9 | -46.7 | -175.2 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | R437 V651 F692 N693 | R437-T690 PolarHBondContact NH2-O 3.26Å; V651-T690 WeakPolarHBondContact O-CA 3.41Å; T690-F692 PolarHBondContact O-N 2.76Å; T690-N693 PolarHBondContact O-N 2.77Å; T690-N693 PolarHBondContact O-OD1 2.82Å; T690-N693 VanDerWaalsContact O-OD1 3.13Å |
| 691 | C | 71 | Confident | 89.1 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -47.6 | -31.3 | 176.3 | -67.2 | 0 | 0 | 0 | 0 | 115 | G434 G667 S668 H689 | G434-C691 PolarHBondContact N-SG 3.39Å; G434-C691 VanDerWaalsContact N-SG 3.35Å; G667-C691 WeakPolarHBondContact CA-O 3.29Å; S668-C691 PolarHBondContact N-O 3.06Å; S668-C691 PolarHBondContact OG-O 2.81Å; H689-C691 PolarHBondContact O-N 2.73Å |
| 692 | F | 81.8 | Confident | 89 | Confident | 77 Ų | 77 | 43.2 Ų | 43.2 | 34% | 0.338 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -112.6 | 6.4 | -177.1 | -55.8 | -71.6 | 0 | 0 | 0 | 113.5 | Q672 H689 T690 R694 | Q672-F692 WeakPolarHBondContact CG-O 3.37Å; H689-F692 HydrophobicContact CB-CD2 3.97Å; H689-F692 CarbonylContact O-C 3.56Å; H689-F692 PolarHBondContact O-N 3.09Å; T690-F692 PolarHBondContact O-N 2.76Å; F692-R694 HydrophobicContact CB-CB 4.17Å; F692-R694 PolarHBondContact O-N 3.1Å |
| 693 | N | 86 | Confident | 88.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 42.4 | -173 | -57.6 | -28.4 | 0 | 0 | 0 | 111.3 | R437 S652 Y666 Q672 F674 T675 H689 T690 | R437-N693 PolarHBondContact NH1-OD1 3.07Å; R437-N693 PolarHBondContact NH2-OD1 3.26Å; S652-N693 WeakPolarHBondContact CB-OD1 3.2Å; Y666-N693 PolarHBondContact O-ND2 2.89Å; Q672-N693 HydrophobicContact CG-CB 4.4Å; Q672-N693 PolarHBondContact O-ND2 2.64Å; F674-N693 CarbonylContact C-O 3.02Å; F674-N693 WeakPolarHBondContact CA-O 3.28Å; T675-N693 PolarHBondContact N-O 3.47Å; H689-N693 PolarHBondContact O-N 2.86Å; H689-N693 VanDerWaalsContact O-N 3.16Å; T690-N693 PolarHBondContact O-N 2.77Å; T690-N693 PolarHBondContact O-OD1 2.82Å; T690-N693 VanDerWaalsContact O-OD1 3.13Å |
| 694 | R | 91 | Very high | 88.9 | Confident | 61 Ų | 61 | 45.6 Ų | 45.6 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.8 | -170.8 | -176 | -169.4 | -55.8 | -167.1 | -2 | 111.6 | T675 E677 A688 H689 F692 D696 | T675-R694 HydrophobicContact CG2-CG 4.18Å; T675-R694 CarbonylContact O-C 3.43Å; T675-R694 VanDerWaalsContact O-CA 3.25Å; T675-R694 WeakPolarHBondContact O-CA 3.36Å; E677-R694 HydrophobicContact CB-CG 4.29Å; E677-R694 WeakPolarHBondContact OE2-CD 3.37Å; E677-R694 IonicContact OE2-CZ 3.97Å; E677-R694 IonicContact OE2-NE 2.79Å; E677-R694 PolarHBondContact OE2-NE 3.11Å; E677-R694 IonicContact OE2-NH1 3.66Å; E677-R694 PolarHBondContact OE2-NH1 2.87Å; E677-R694 IonicContact OE2-NH2 3.29Å; A688-R694 CarbonylContact C-O 3.57Å; A688-R694 WeakPolarHBondContact CA-O 3.06Å; H689-R694 HydrophobicContact CB-CB 4.28Å; H689-R694 PolarHBondContact N-O 3.13Å; H689-R694 PolarHBondContact O-N 3.1Å; F692-R694 HydrophobicContact CB-CB 4.17Å; F692-R694 PolarHBondContact O-N 3.1Å; R694-D696 WeakPolarHBondContact CD-OD1 3.43Å |
| 695 | L | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 112.7 | 167.6 | 179.7 | 64.3 | 0 | 0 | 0 | 109.2 | F632 F650 V651 F674 T675 I676 E677 P686 L697 | F632-L695 HydrophobicContact CD2-CD2 4.03Å; F632-L695 HydrophobicContact CE2-CD2 3.42Å; F632-L695 VanDerWaalsContact CE2-CD2 3.42Å; F632-L695 HydrophobicContact CZ-CD2 4Å; F650-L695 HydrophobicContact CD1-CD1 4.37Å; F650-L695 HydrophobicContact CE1-CD1 3.86Å; V651-L695 HydrophobicContact CG1-CB 3.96Å; V651-L695 HydrophobicContact CG2-CB 3.9Å; V651-L695 HydrophobicContact CG2-CD1 3.92Å; V651-L695 HydrophobicContact CG2-CD2 4.43Å; V651-L695 HydrophobicContact CG2-CG 4.3Å; F674-L695 HydrophobicContact CZ-CB 4.47Å; T675-L695 PolarHBondContact O-N 3.21Å; I676-L695 WeakPolarHBondContact CA-O 3.3Å; E677-L695 PolarHBondContact N-O 3.01Å; P686-L695 HydrophobicContact CB-CD1 3.87Å; L695-L697 HydrophobicContact CD2-CB 4.41Å; L695-L697 HydrophobicContact CD2-CD1 4.36Å; L695-L697 HydrophobicContact CG-CB 4.23Å; L695-L697 PolarHBondContact O-N 2.79Å |
| 696 | D | 94.5 | Very high | 89 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 102.6 | 164.8 | -76.6 | 5.2 | 0 | 0 | 0 | 107.1 | E677 W679 P686 R687 H689 R694 | E677-D696 CarbonylContact O-C 3.59Å; E677-D696 WeakPolarHBondContact O-CA 3.3Å; W679-D696 HydrophobicContact CB-CB 3.64Å; W679-D696 HydrophobicContact CD2-CB 4.23Å; W679-D696 HydrophobicContact CE3-CB 4.4Å; W679-D696 HydrophobicContact CG-CB 3.89Å; P686-D696 WeakPolarHBondContact CA-O 3.41Å; R687-D696 HydrophobicContact CB-CB 4.21Å; R687-D696 PolarHBondContact N-O 2.84Å; R687-D696 IonicContact NH2-OD2 3.48Å; R687-D696 WeakPolarHBondContact O-CB 3.48Å; R687-D696 PolarHBondContact O-N 3.09Å; H689-D696 IonicContact CD2-OD1 3.95Å; H689-D696 PolarHBondContact CD2-OD1 2.73Å; H689-D696 IonicContact CD2-OD2 3.74Å; H689-D696 IonicContact CE1-OD2 2.77Å; H689-D696 VanDerWaalsContact NE2-CG 3.29Å; H689-D696 IonicContact NE2-OD1 3.5Å; H689-D696 PolarHBondContact NE2-OD1 2.84Å; H689-D696 IonicContact NE2-OD2 3.91Å; H689-D696 PolarHBondContact NE2-OD2 2.68Å; R694-D696 WeakPolarHBondContact CD-OD1 3.43Å |
| 697 | L | 96.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.1 | -174.5 | -174.4 | 64 | 0 | 0 | 0 | 109.9 | Y622 V628 F632 I676 E677 W679 P686 L695 Y700 L706 | Y622-L697 HydrophobicContact CE2-CB 4.18Å; Y622-L697 WeakPolarHBondContact CE2-O 3.33Å; Y622-L697 PolarHBondContact OH-O 2.94Å; V628-L697 HydrophobicContact CG2-CD2 3.85Å; V628-L697 HydrophobicContact CG2-CG 4.14Å; F632-L697 HydrophobicContact CB-CD2 4.11Å; F632-L697 HydrophobicContact CD2-CD2 4.22Å; F632-L697 HydrophobicContact CG-CD2 4.36Å; I676-L697 HydrophobicContact CG2-CB 3.79Å; I676-L697 HydrophobicContact CG2-CD2 3.81Å; I676-L697 HydrophobicContact CG2-CG 4.48Å; E677-L697 PolarHBondContact O-N 3.06Å; W679-L697 PolarHBondContact N-O 3.24Å; P686-L697 HydrophobicContact CB-CD1 4.45Å; P686-L697 HydrophobicContact CG-CD1 4.25Å; L695-L697 HydrophobicContact CD2-CB 4.41Å; L695-L697 HydrophobicContact CD2-CD1 4.36Å; L695-L697 HydrophobicContact CG-CB 4.23Å; L695-L697 PolarHBondContact O-N 2.79Å; L697-Y700 HydrophobicContact CD1-CD2 4.2Å; L697-Y700 HydrophobicContact CD1-CE2 3.92Å; L697-L706 HydrophobicContact CD1-CD1 4.46Å; L697-L706 HydrophobicContact CD2-CD1 4.31Å |
| 698 | P | 96.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -64.6 | 153.8 | 172 | -26.2 | 36.3 | 0 | 0 | 0 | 114.1 | Y622 W679 S681 M684 Y700 | Y622-P698 VanDerWaalsContact OH-C 3.3Å; Y622-P698 PolarHBondContact OH-O 3.43Å; W679-P698 HydrophobicContact CE3-CG 3.91Å; W679-P698 HydrophobicContact CZ3-CG 4.16Å; W679-P698 WeakPolarHBondContact O-CA 3.47Å; S681-P698 WeakPolarHBondContact O-CB 3.48Å; M684-P698 HydrophobicContact CB-CG 4.38Å; P698-Y700 HydrophobicContact CB-CD1 4.39Å; P698-Y700 HydrophobicContact CB-CE1 3.84Å; P698-Y700 HydrophobicContact CB-CE2 4.1Å; P698-Y700 HydrophobicContact CG-CE1 4.35Å; P698-Y700 HydrophobicContact CG-CE2 4.28Å; P698-Y700 WeakPolarHBondContact CG-OH 3.3Å; P698-Y700 WeakPolarHBondContact O-CD2 3.49Å; P698-Y700 PolarHBondContact O-N 3.33Å | ||
| 699 | P | 95 | Very high | 89.4 | Confident | 35 Ų | 35 | 42.9 Ų | 42.9 | 23% | 0.227 | 22% | 0.219 | C | C | . | . | trans | -77.2 | 61.5 | -177.5 | 34.1 | -36.9 | 0 | 0 | 0 | 112 | Y622 | Y622-P699 WeakPolarHBondContact OH-CA 3.17Š| ||
| 700 | Y | 94.2 | Very high | 90 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | trans | -59.3 | 140.2 | 175.1 | -55.5 | -57.9 | 0 | 0 | 0 | 111 | A682 M684 P686 L697 P698 E705 L706 K709 | A682-Y700 HydrophobicContact CB-CD1 4.4Å; A682-Y700 WeakPolarHBondContact O-CD1 3.43Å; A682-Y700 WeakPolarHBondContact O-CE1 3.34Å; M684-Y700 WeakPolarHBondContact O-CE1 3.23Å; M684-Y700 PolarHBondContact O-OH 2.78Å; P686-Y700 WeakPolarHBondContact CD-OH 3.46Å; P686-Y700 HydrophobicContact CG-CE2 4Å; P686-Y700 WeakPolarHBondContact CG-OH 3.4Å; L697-Y700 HydrophobicContact CD1-CD2 4.2Å; L697-Y700 HydrophobicContact CD1-CE2 3.92Å; P698-Y700 HydrophobicContact CB-CD1 4.39Å; P698-Y700 HydrophobicContact CB-CE1 3.84Å; P698-Y700 HydrophobicContact CB-CE2 4.1Å; P698-Y700 HydrophobicContact CG-CE1 4.35Å; P698-Y700 HydrophobicContact CG-CE2 4.28Å; P698-Y700 WeakPolarHBondContact CG-OH 3.3Å; P698-Y700 WeakPolarHBondContact O-CD2 3.49Å; P698-Y700 PolarHBondContact O-N 3.33Å; Y700-E705 HydrophobicContact CD1-CG 3.76Å; Y700-E705 HydrophobicContact CG-CG 4.2Å; Y700-L706 HydrophobicContact CD2-CB 3.85Å; Y700-L706 HydrophobicContact CD2-CD1 4.23Å; Y700-L706 HydrophobicContact CD2-CG 3.84Å; Y700-L706 HydrophobicContact CG-CB 4.26Å; Y700-K709 HydrophobicContact CD1-CG 4.45Å; Y700-K709 HydrophobicContact CE1-CB 3.96Å; Y700-K709 HydrophobicContact CE1-CD 4.41Å; Y700-K709 HydrophobicContact CE1-CG 3.78Å; Y700-K709 HydrophobicContact CE2-CB 4.09Å | ||
| 701 | T | 86.5 | Confident | 90.7 | Very high | 105 Ų | 105 | 39.3 Ų | 39.3 | 64% | 0.644 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -87.8 | -30.3 | -171.2 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | E705 | T701-E705 PolarHBondContact N-OE2 3.37Å; T701-E705 PolarHBondContact OG1-OE2 3.26Å; T701-E705 VanDerWaalsContact OG1-OE2 3.06Å |
| 702 | T | 89.2 | Confident | 91.5 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 42% | 0.423 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -123 | 157.1 | -175.7 | 70.5 | 0 | 0 | 0 | 0 | 112.6 | E705 L706 | T702-E705 WeakPolarHBondContact OG1-CB 3.38Å; T702-E705 PolarHBondContact OG1-N 2.74Å; T702-L706 PolarHBondContact O-N 3.4Å; T702-L706 VanDerWaalsContact O-N 3.16Å |
| 703 | F | 88.3 | Confident | 91.8 | Very high | 27 Ų | 27 | 37.3 Ų | 37.3 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 174 | 168.5 | -106 | 0 | 0 | 0 | 112.1 | N631 K634 C635 E705 L706 K707 | N631-F703 PolarHBondContact ND2-N 2.89Å; K634-F703 HydrophobicContact CB-CD2 4.06Å; K634-F703 HydrophobicContact CB-CE2 4.02Å; K634-F703 HydrophobicContact CD-CD2 3.68Å; K634-F703 HydrophobicContact CD-CE2 3.94Å; K634-F703 HydrophobicContact CD-CG 4.07Å; K634-F703 HydrophobicContact CG-CD2 3.84Å; K634-F703 HydrophobicContact CG-CE2 3.66Å; K634-F703 HydrophobicContact CG-CZ 4.38Å; C635-F703 HydrophobicContact CB-CE2 4.01Å; F703-E705 PolarHBondContact O-N 2.75Å; F703-L706 PolarHBondContact O-N 3.01Å; F703-K707 HydrophobicContact CE1-CD 4.4Å; F703-K707 HydrophobicContact CZ-CD 4.15Å; F703-K707 WeakPolarHBondContact O-CB 3.3Å; F703-K707 PolarHBondContact O-N 3Å |
| 704 | K | 90 | Very high | 91.5 | Very high | 159 Ų | 159 | 37.8 Ų | 37.8 | 69% | 0.691 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62.8 | -43.3 | -178.8 | -172.8 | 174.5 | -177.6 | 172.4 | 0 | 112.4 | S708 | K704-S708 WeakPolarHBondContact O-CB 3.31Å; K704-S708 PolarHBondContact O-N 3.26Å |
| 705 | E | 92.4 | Very high | 91 | Very high | 55 Ų | 55 | 39.9 Ų | 39.9 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 175.9 | -178.8 | -178.5 | -149.6 | 0 | 0 | 111.3 | Y700 T701 T702 F703 S708 K709 | Y700-E705 HydrophobicContact CD1-CG 3.76Å; Y700-E705 HydrophobicContact CG-CG 4.2Å; T701-E705 PolarHBondContact N-OE2 3.37Å; T701-E705 PolarHBondContact OG1-OE2 3.26Å; T701-E705 VanDerWaalsContact OG1-OE2 3.06Å; T702-E705 WeakPolarHBondContact OG1-CB 3.38Å; T702-E705 PolarHBondContact OG1-N 2.74Å; F703-E705 PolarHBondContact O-N 2.75Å; E705-S708 PolarHBondContact O-N 2.88Å; E705-K709 WeakPolarHBondContact O-CB 3.3Å; E705-K709 VanDerWaalsContact O-CG 3.28Å; E705-K709 WeakPolarHBondContact O-CG 3.49Å; E705-K709 PolarHBondContact O-N 3.18Å |
| 706 | L | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -49.3 | 177.9 | -174.7 | 154.6 | 0 | 0 | 0 | 111.4 | V628 N631 F632 C635 L697 Y700 T702 F703 S708 K709 L710 | V628-L706 HydrophobicContact CG2-CD1 3.98Å; V628-L706 WeakPolarHBondContact O-CD1 3.1Å; N631-L706 HydrophobicContact CB-CD1 3.94Å; F632-L706 HydrophobicContact CB-CD1 4.12Å; C635-L706 HydrophobicContact CB-CD2 3.95Å; L697-L706 HydrophobicContact CD1-CD1 4.46Å; L697-L706 HydrophobicContact CD2-CD1 4.31Å; Y700-L706 HydrophobicContact CD2-CB 3.85Å; Y700-L706 HydrophobicContact CD2-CD1 4.23Å; Y700-L706 HydrophobicContact CD2-CG 3.84Å; Y700-L706 HydrophobicContact CG-CB 4.26Å; T702-L706 PolarHBondContact O-N 3.4Å; T702-L706 VanDerWaalsContact O-N 3.16Å; F703-L706 PolarHBondContact O-N 3.01Å; L706-S708 PolarHBondContact O-N 2.85Å; L706-K709 PolarHBondContact O-N 2.88Å; L706-L710 HydrophobicContact CD2-CD2 4.34Å; L706-L710 WeakPolarHBondContact O-CB 3.47Å; L706-L710 PolarHBondContact O-N 2.64Å |
| 707 | K | 92.4 | Very high | 88.5 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 17% | 0.165 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.5 | -50.6 | -179.4 | -178 | 176.2 | -174.2 | -170.3 | 0 | 111 | E319 F639 F703 L710 L711 | E319-K707 IonicContact OE1-NZ 3.33Å; E319-K707 PolarHBondContact OE1-NZ 3.37Å; E319-K707 IonicContact OE2-NZ 3.93Å; E319-K707 PolarHBondContact OE2-NZ 3.45Å; F639-K707 HydrophobicContact CE1-CG 4.3Å; F639-K707 HydrophobicContact CZ-CG 4.44Å; F703-K707 HydrophobicContact CE1-CD 4.4Å; F703-K707 HydrophobicContact CZ-CD 4.15Å; F703-K707 WeakPolarHBondContact O-CB 3.3Å; F703-K707 PolarHBondContact O-N 3Å; K707-L710 PolarHBondContact O-N 3.26Å; K707-L711 HydrophobicContact CG-CD1 4.06Å; K707-L711 WeakPolarHBondContact O-CB 3.33Å; K707-L711 WeakPolarHBondContact O-CG 3.43Å; K707-L711 PolarHBondContact O-N 2.97Å |
| 708 | S | 92.2 | Very high | 86 | Confident | 67 Ų | 67 | 52 Ų | 52 | 47% | 0.469 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -50.1 | 179.4 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | K704 E705 L706 L710 L711 T712 | K704-S708 WeakPolarHBondContact O-CB 3.31Å; K704-S708 PolarHBondContact O-N 3.26Å; E705-S708 PolarHBondContact O-N 2.88Å; L706-S708 PolarHBondContact O-N 2.85Å; S708-L710 VanDerWaalsContact C-N 3.35Å; S708-L710 PolarHBondContact O-N 3.43Å; S708-L711 PolarHBondContact O-N 3.43Å; S708-T712 PolarHBondContact O-N 3.06Å; S708-T712 PolarHBondContact O-OG1 2.64Å |
| 709 | K | 94 | Very high | 82.8 | Confident | 63 Ų | 63 | 57.4 Ų | 57.4 | 27% | 0.274 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | -178.4 | -69.1 | -80 | -179.6 | 168 | 0 | 112.8 | D683 L685 P686 Y700 E705 L706 A713 | D683-K709 PolarHBondContact O-NZ 2.83Å; L685-K709 HydrophobicContact CD2-CB 4.3Å; L685-K709 HydrophobicContact CD2-CD 3.63Å; P686-K709 WeakPolarHBondContact CD-O 3.3Å; Y700-K709 HydrophobicContact CD1-CG 4.45Å; Y700-K709 HydrophobicContact CE1-CB 3.96Å; Y700-K709 HydrophobicContact CE1-CD 4.41Å; Y700-K709 HydrophobicContact CE1-CG 3.78Å; Y700-K709 HydrophobicContact CE2-CB 4.09Å; E705-K709 WeakPolarHBondContact O-CB 3.3Å; E705-K709 VanDerWaalsContact O-CG 3.28Å; E705-K709 WeakPolarHBondContact O-CG 3.49Å; E705-K709 PolarHBondContact O-N 3.18Å; L706-K709 PolarHBondContact O-N 2.88Å; K709-A713 WeakPolarHBondContact O-CB 3.22Å; K709-A713 PolarHBondContact O-N 2.86Å |
| 710 | L | 92.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66 | -47.5 | 174.9 | -178.8 | 61.3 | 0 | 0 | 0 | 111.2 | F632 F639 V647 P686 L706 K707 S708 A713 I714 | F632-L710 HydrophobicContact CD2-CD2 4.39Å; F632-L710 HydrophobicContact CE2-CD2 4.19Å; F639-L710 HydrophobicContact CE2-CD2 4.25Å; V647-L710 HydrophobicContact CG2-CD2 4.49Å; P686-L710 HydrophobicContact CG-CD1 4.38Å; L706-L710 HydrophobicContact CD2-CD2 4.34Å; L706-L710 WeakPolarHBondContact O-CB 3.47Å; L706-L710 PolarHBondContact O-N 2.64Å; K707-L710 PolarHBondContact O-N 3.26Å; S708-L710 VanDerWaalsContact C-N 3.35Å; S708-L710 PolarHBondContact O-N 3.43Å; L710-A713 PolarHBondContact O-N 2.78Å; L710-I714 HydrophobicContact CD1-CD1 4.04Å; L710-I714 HydrophobicContact CD1-CG1 4.5Å; L710-I714 HydrophobicContact CG-CD1 3.92Å; L710-I714 WeakPolarHBondContact O-CD1 3.31Å; L710-I714 VanDerWaalsContact O-CG1 3.29Å; L710-I714 WeakPolarHBondContact O-CG1 3.36Å; L710-I714 PolarHBondContact O-N 2.93Å |
| 711 | L | 90.2 | Very high | 76.3 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 18% | 0.183 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 176 | -72.2 | 172.9 | 0 | 0 | 0 | 111.3 | F639 M643 K707 S708 A713 I714 E715 | F639-L711 HydrophobicContact CE1-CD2 4.05Å; F639-L711 HydrophobicContact CE1-CG 4.45Å; F639-L711 HydrophobicContact CZ-CD2 3.74Å; F639-L711 HydrophobicContact CZ-CG 4.09Å; M643-L711 HydrophobicContact CE-CD2 3.69Å; M643-L711 HydrophobicContact CG-CD2 4.28Å; M643-L711 HydrophobicContact SD-CD2 3.55Å; M643-L711 VanDerWaalsContact SD-CD2 3.55Å; K707-L711 HydrophobicContact CG-CD1 4.06Å; K707-L711 WeakPolarHBondContact O-CB 3.33Å; K707-L711 WeakPolarHBondContact O-CG 3.43Å; K707-L711 PolarHBondContact O-N 2.97Å; S708-L711 PolarHBondContact O-N 3.43Å; L711-A713 VanDerWaalsContact C-N 3.3Å; L711-A713 PolarHBondContact O-N 2.77Å; L711-I714 PolarHBondContact O-N 2.82Å; L711-I714 VanDerWaalsContact O-N 3.09Å; L711-E715 WeakPolarHBondContact O-CB 3.27Å; L711-E715 WeakPolarHBondContact O-CG 3.29Å; L711-E715 PolarHBondContact O-N 2.84Å |
| 712 | T | 89.6 | Confident | 73.2 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 29% | 0.288 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.8 | -42.6 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 112 | L685 S708 N716 | L685-T712 HydrophobicContact CD1-CG2 4.32Å; L685-T712 HydrophobicContact CD2-CG2 4.01Å; S708-T712 PolarHBondContact O-N 3.06Å; S708-T712 PolarHBondContact O-OG1 2.64Å; T712-N716 WeakPolarHBondContact CG2-ND2 3.28Å; T712-N716 VanDerWaalsContact O-CB 3.31Å; T712-N716 WeakPolarHBondContact O-CB 3.33Å; T712-N716 PolarHBondContact O-N 3.05Å; T712-N716 PolarHBondContact O-ND2 2.8Å |
| 713 | A | 87.1 | Confident | 70 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F650 L685 P686 K709 L710 L711 S717 | F650-A713 HydrophobicContact CE2-CB 4.42Å; F650-A713 HydrophobicContact CZ-CB 3.96Å; L685-A713 HydrophobicContact CB-CB 4.36Å; P686-A713 HydrophobicContact CG-CB 4.44Å; K709-A713 WeakPolarHBondContact O-CB 3.22Å; K709-A713 PolarHBondContact O-N 2.86Å; L710-A713 PolarHBondContact O-N 2.78Å; L711-A713 VanDerWaalsContact C-N 3.3Å; L711-A713 PolarHBondContact O-N 2.77Å; A713-S717 VanDerWaalsContact O-CB 3.31Å; A713-S717 WeakPolarHBondContact O-CB 3.45Å; A713-S717 PolarHBondContact O-N 2.78Å |
| 714 | I | 80.6 | Confident | 67.1 | Low | 9 Ų | 9 | 79 Ų | 79 | 5% | 0.046 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -69.8 | -52 | 176.5 | -67.1 | 164.1 | 0 | 0 | 0 | 110 | R646 V647 F650 L710 L711 N716 S717 | R646-I714 HydrophobicContact CB-CG2 3.91Å; V647-I714 HydrophobicContact CB-CD1 4.23Å; V647-I714 HydrophobicContact CG2-CD1 3.51Å; F650-I714 HydrophobicContact CB-CG1 3.99Å; F650-I714 HydrophobicContact CD1-CG1 4.16Å; F650-I714 HydrophobicContact CD2-CG1 4.46Å; F650-I714 HydrophobicContact CG-CG1 3.96Å; L710-I714 HydrophobicContact CD1-CD1 4.04Å; L710-I714 HydrophobicContact CD1-CG1 4.5Å; L710-I714 HydrophobicContact CG-CD1 3.92Å; L710-I714 WeakPolarHBondContact O-CD1 3.31Å; L710-I714 VanDerWaalsContact O-CG1 3.29Å; L710-I714 WeakPolarHBondContact O-CG1 3.36Å; L710-I714 PolarHBondContact O-N 2.93Å; L711-I714 PolarHBondContact O-N 2.82Å; L711-I714 VanDerWaalsContact O-N 3.09Å; I714-N716 VanDerWaalsContact C-N 3.3Å; I714-N716 PolarHBondContact O-N 3.36Å; I714-S717 PolarHBondContact O-N 2.92Å; I714-S717 VanDerWaalsContact O-N 3.08Å; I714-S717 PolarHBondContact O-OG 3.1Å |
| 715 | E | 78.7 | Confident | 66 | Low | 106 Ų | 106 | 75 Ų | 75 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -37.2 | -178.7 | -70.5 | 165.5 | -175.8 | 0 | 0 | 112.5 | L711 I719 | L711-E715 WeakPolarHBondContact O-CB 3.27Å; L711-E715 WeakPolarHBondContact O-CG 3.29Å; L711-E715 PolarHBondContact O-N 2.84Å; E715-I719 WeakPolarHBondContact O-CD1 3.24Å |
| 716 | N | 73.7 | Confident | 64.6 | Low | 82 Ų | 82 | 76.1 Ų | 76.1 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3.9 | 179 | -69.2 | -87.8 | 0 | 0 | 0 | 113.6 | T712 I714 E718 | T712-N716 WeakPolarHBondContact CG2-ND2 3.28Å; T712-N716 VanDerWaalsContact O-CB 3.31Å; T712-N716 WeakPolarHBondContact O-CB 3.33Å; T712-N716 PolarHBondContact O-N 3.05Å; T712-N716 PolarHBondContact O-ND2 2.8Å; I714-N716 VanDerWaalsContact C-N 3.3Å; I714-N716 PolarHBondContact O-N 3.36Å; N716-E718 VanDerWaalsContact C-N 3.35Å |
| 717 | S | 63.4 | Low | 62.9 | Low | 64 Ų | 64 | 80.3 Ų | 80.3 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -22.1 | 175.5 | 67.5 | 0 | 0 | 0 | 0 | 113.1 | A713 I714 | A713-S717 VanDerWaalsContact O-CB 3.31Å; A713-S717 WeakPolarHBondContact O-CB 3.45Å; A713-S717 PolarHBondContact O-N 2.78Å; I714-S717 PolarHBondContact O-N 2.92Å; I714-S717 VanDerWaalsContact O-N 3.08Å; I714-S717 PolarHBondContact O-OG 3.1Å |
| 718 | E | 45.8 | Very low | 61.2 | Low | 119 Ų | 119 | 82.8 Ų | 82.8 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -88.8 | -2.2 | -179.5 | -66.5 | -168.8 | 156.4 | 0 | 0 | 114.3 | N716 | N716-E718 VanDerWaalsContact C-N 3.35Š|
| 719 | I | 28.5 | Very low | 59.3 | Low | 112 Ų | 112 | 83.8 Ų | 83.8 | 57% | 0.574 | 47% | 0.469 | S | S | * | . | trans | -113.7 | 2.3 | -159.3 | -57 | 177.7 | 0 | 0 | 0 | 116 | E715 S721 | E715-I719 WeakPolarHBondContact O-CD1 3.24Å; I719-S721 PolarHBondContact O-N 2.74Å | ||
| 720 | F | 25.1 | Very low | 56.9 | Low | 179 Ų | 179 | 85.1 Ų | 85.1 | 79% | 0.785 | 48% | 0.482 | S | S | * | . | trans | -81.2 | 32.9 | 173.3 | -79.5 | -78.8 | 0 | 0 | 0 | 114.8 | V723 | F720-V723 HydrophobicContact CD1-CG2 4.35Š| ||
| 721 | S | 27.2 | Very low | 54.4 | Low | 89 Ų | 89 | 91.2 Ų | 91.2 | 62% | 0.622 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -99.4 | 93.9 | 160.3 | 60.5 | 0 | 0 | 0 | 0 | 109.2 | I719 | I719-S721 PolarHBondContact O-N 2.74Š|
| 722 | G | 22.6 | Very low | 51.6 | Low | 72 Ų | 72 | 95.5 Ų | 95.5 | 74% | 0.742 | 54% | 0.542 | S | S | * | . | trans | 118.6 | 67.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 723 | V | 21.6 | Very low | 48.5 | Very low | 113 Ų | 113 | 99.6 Ų | 99.6 | 69% | 0.685 | 56% | 0.563 | S | S | * | * | trans | -119.8 | 115 | 149.7 | -81.7 | 0 | 0 | 0 | 0 | 108.1 | F720 | F720-V723 HydrophobicContact CD1-CG2 4.35Š| ||
| 724 | D | 27.3 | Very low | 45 | Very low | 242 Ų | 242 | 107.9 Ų | 107.9 | 100% | 1.294 | 61% | 0.608 | S | S | * | * | trans | 74.7 | 0 | 174 | -55.2 | -19.1 | 0 | 0 | 0 | 119.8 |
Retrieved 724 of 724 residues in 445.2 ms
(Link to these results)