| 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 | 25.3 | Very low | 37.6 | Very low | 250 Ų | 250 | 122.9 Ų | 122.9 | 100% | 1.232 | 69% | 0.693 | S | S | * | * | 0 | 96.8 | 0 | -81.2 | 178.9 | 160.5 | 0 | 0 | 108.2 | |||||
| 2 | T | 28.8 | Very low | 39.5 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 85% | 0.847 | 68% | 0.677 | S | S | * | * | trans | -81.9 | 119.9 | 168.7 | 35 | 0 | 0 | 0 | 0 | 108.3 | R4 | T2-R4 PolarHBondContact O-N 3.43Š| ||
| 3 | G | 25.7 | Very low | 41.4 | Very low | 74 Ų | 74 | 113.8 Ų | 113.8 | 76% | 0.763 | 63% | 0.63 | S | S | * | * | trans | -77.6 | 90.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | V5 | G3-V5 PolarHBondContact O-N 3.19Š| ||
| 4 | R | 30.6 | Very low | 42.9 | Very low | 203 Ų | 203 | 107.2 Ų | 107.2 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | trans | -60 | 99.7 | 167.9 | -73.5 | -169.6 | 179 | -152.5 | -2.4 | 108.9 | T2 G6 | T2-R4 PolarHBondContact O-N 3.43Å; R4-G6 PolarHBondContact O-N 3.21Å | ||
| 5 | V | 32.6 | Very low | 44.2 | Very low | 130 Ų | 130 | 100.5 Ų | 100.5 | 79% | 0.788 | 56% | 0.556 | S | S | * | * | trans | -67.8 | 99.9 | 167.7 | 177.9 | 0 | 0 | 0 | 0 | 106.4 | G3 V7 | G3-V5 PolarHBondContact O-N 3.19Å; V5-V7 VanDerWaalsContact C-N 3.34Å; V5-V7 PolarHBondContact O-N 2.94Å | ||
| 6 | G | 30.6 | Very low | 45 | Very low | 58 Ų | 58 | 98.4 Ų | 98.4 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | trans | -67.1 | 92.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R4 K8 | R4-G6 PolarHBondContact O-N 3.21Å; G6-K8 PolarHBondContact O-N 3.25Å | ||
| 7 | V | 40.7 | Very low | 45.8 | Very low | 72 Ų | 72 | 95.4 Ų | 95.4 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | trans | -62.5 | 116.6 | 165.3 | -177.3 | 0 | 0 | 0 | 0 | 106.8 | V5 S9 L11 | V5-V7 VanDerWaalsContact C-N 3.34Å; V5-V7 PolarHBondContact O-N 2.94Å; V7-S9 WeakPolarHBondContact CG1-O 3.15Å; V7-L11 HydrophobicContact CG1-CD2 3.99Å; V7-L11 HydrophobicContact CG1-CG 4.36Å | ||
| 8 | K | 39.8 | Very low | 45.9 | Very low | 206 Ų | 206 | 96.7 Ų | 96.7 | 90% | 0.896 | 54% | 0.535 | S | S | * | . | trans | -104 | 15 | -171 | -78.8 | -173.6 | 177.5 | -172.6 | 0 | 113.7 | G6 | G6-K8 PolarHBondContact O-N 3.25Š| ||
| 9 | S | 48 | Very low | 46.2 | Very low | 74 Ų | 74 | 97.5 Ų | 97.5 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -154.6 | 142.4 | -172 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | V7 L11 S31 | V7-S9 WeakPolarHBondContact CG1-O 3.15Å; S9-L11 PolarHBondContact O-N 3.39Å; S9-S31 PolarHBondContact O-OG 2.97Å |
| 10 | N | 52.7 | Low | 46.4 | Very low | 73 Ų | 73 | 100.2 Ų | 100.2 | 39% | 0.39 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 133.5 | 167.3 | -59.3 | 11 | 0 | 0 | 0 | 108.6 | V29 D30 | N10-V29 CarbonylContact C-O 3.51Å; N10-V29 WeakPolarHBondContact CA-O 3.38Å; N10-V29 WeakPolarHBondContact CB-O 3.24Å; N10-D30 PolarHBondContact OD1-OD1 3.38Å |
| 11 | L | 58.2 | Low | 46.7 | Very low | 74 Ų | 74 | 98.6 Ų | 98.6 | 39% | 0.387 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76 | 127.3 | 174.9 | -60.1 | 170.3 | 0 | 0 | 0 | 107.3 | V7 S9 L13 V29 | V7-L11 HydrophobicContact CG1-CD2 3.99Å; V7-L11 HydrophobicContact CG1-CG 4.36Å; S9-L11 PolarHBondContact O-N 3.39Å; L11-L13 HydrophobicContact CB-CD2 3.92Å; L11-V29 HydrophobicContact CB-CB 4.3Å; L11-V29 PolarHBondContact N-O 3.46Å; L11-V29 PolarHBondContact O-N 2.87Å |
| 12 | K | 60.5 | Low | 48.3 | Very low | 116 Ų | 116 | 89.8 Ų | 89.8 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.2 | 170.2 | -75.1 | -156.7 | 163.8 | -139.9 | 0 | 108.8 | Y27 Q28 | K12-Y27 CarbonylContact C-O 3.46Å; K12-Y27 WeakPolarHBondContact CA-O 3.35Å; K12-Q28 VanDerWaalsContact CE-CD 3.43Å; K12-Q28 HydrophobicContact CG-CG 4.43Å |
| 13 | L | 64.8 | Low | 50 | Low | 12 Ų | 12 | 85.6 Ų | 85.6 | 6% | 0.063 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 156.3 | 177.6 | -26.9 | 175 | 0 | 0 | 0 | 107.7 | L11 Q26 Y27 V29 I73 I76 C77 | L11-L13 HydrophobicContact CB-CD2 3.92Å; L13-Q26 CarbonylContact O-C 3.59Å; L13-Q26 WeakPolarHBondContact O-CA 3.31Å; L13-Y27 HydrophobicContact CB-CD2 4.22Å; L13-Y27 PolarHBondContact N-O 3.3Å; L13-Y27 PolarHBondContact O-N 2.85Å; L13-V29 HydrophobicContact CD1-CG2 3.93Å; L13-V29 HydrophobicContact CG-CG2 4.34Å; L13-I73 HydrophobicContact CD1-CG2 4.21Å; L13-I76 HydrophobicContact CB-CG2 4.04Å; L13-C77 VanDerWaalsContact CD1-SG 3.58Å; L13-C77 HydrophobicContact CD2-CB 4.14Å; L13-C77 WeakPolarHBondContact CD2-SG 3.34Å |
| 14 | L | 62 | Low | 52.1 | Low | 21 Ų | 21 | 82.6 Ų | 82.6 | 11% | 0.11 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 121.8 | -179.4 | -178.9 | 49.7 | 0 | 0 | 0 | 110.7 | Q16 Q24 Q25 Q26 A89 V173 N175 | L14-Q16 PolarHBondContact O-N 3.26Å; L14-Q24 HydrophobicContact CD1-CB 3.63Å; L14-Q24 HydrophobicContact CG-CB 4.49Å; L14-Q25 WeakPolarHBondContact CA-O 3.11Å; L14-Q26 HydrophobicContact CD1-CB 4.03Å; L14-A89 HydrophobicContact CD1-CB 3.83Å; L14-V173 HydrophobicContact CD2-CG1 4Å; L14-N175 HydrophobicContact CD2-CB 3.68Å; L14-N175 WeakPolarHBondContact CD2-ND2 3.24Å |
| 15 | T | 62.4 | Low | 53.8 | Low | 6 Ų | 6 | 73 Ų | 73 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | trans | -60.9 | 137.2 | 177.1 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | F17 Q24 Q25 Y27 I76 P156 | T15-F17 HydrophobicContact CG2-CE2 4.32Å; T15-F17 HydrophobicContact CG2-CZ 4.01Å; T15-F17 WeakPolarHBondContact OG1-CE2 3.47Å; T15-Q24 WeakPolarHBondContact O-CB 3.29Å; T15-Q24 WeakPolarHBondContact O-CG 3.36Å; T15-Q24 PolarHBondContact O-NE2 3.35Å; T15-Q24 PolarHBondContact O-OE1 2.96Å; T15-Q24 WeakPolarHBondContact OG1-CA 3.49Å; T15-Q25 HydrophobicContact CG2-CB 3.91Å; T15-Q25 HydrophobicContact CG2-CG 4.23Å; T15-Q25 PolarHBondContact N-O 3.45Å; T15-Q25 VanDerWaalsContact N-O 3.16Å; T15-Q25 PolarHBondContact OG1-N 3.24Å; T15-Y27 HydrophobicContact CG2-CE2 4.12Å; T15-I76 HydrophobicContact CG2-CD1 4.04Å; T15-I76 HydrophobicContact CG2-CG1 4.11Å; T15-I76 HydrophobicContact CG2-CG2 3.81Å; T15-I76 VanDerWaalsContact N-CG2 3.33Å; T15-P156 HydrophobicContact CG2-CB 4.22Å | ||
| 16 | Q | 56.9 | Low | 55.5 | Low | 68 Ų | 68 | 67.8 Ų | 67.8 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | trans | -109.3 | 94.5 | 166.2 | -57.4 | -153.3 | 6.6 | 0 | 0 | 107 | L14 N175 C176 I178 | L14-Q16 PolarHBondContact O-N 3.26Å; Q16-N175 PolarHBondContact NE2-OD1 2.85Å; Q16-C176 PolarHBondContact NE2-O 3.2Å; Q16-I178 VanDerWaalsContact OE1-CG1 3.31Å | ||
| 17 | F | 59.5 | Low | 57.1 | Low | 46 Ų | 46 | 65 Ų | 65 | 20% | 0.202 | 35% | 0.352 | C | S | . | . | trans | -75.6 | 149.8 | 166.7 | -64 | -59.1 | 0 | 0 | 0 | 109.4 | T15 D22 I23 Q24 Q25 T160 | T15-F17 HydrophobicContact CG2-CE2 4.32Å; T15-F17 HydrophobicContact CG2-CZ 4.01Å; T15-F17 WeakPolarHBondContact OG1-CE2 3.47Å; F17-D22 HydrophobicContact CB-CB 3.54Å; F17-D22 WeakPolarHBondContact CB-OD2 3.25Å; F17-D22 HydrophobicContact CD2-CB 3.93Å; F17-D22 HydrophobicContact CG-CB 4Å; F17-I23 VanDerWaalsContact CE2-O 3.32Å; F17-I23 WeakPolarHBondContact CE2-O 3.33Å; F17-Q24 HydrophobicContact CD2-CG 4.34Å; F17-Q25 HydrophobicContact CE2-CG 4.26Å; F17-T160 VanDerWaalsContact CZ-OG1 3.27Å; F17-T160 WeakPolarHBondContact CZ-OG1 3.35Å | ||
| 18 | P | 47 | Very low | 58.3 | Low | 120 Ų | 120 | 64.4 Ų | 64.4 | 78% | 0.779 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -71.8 | -29.8 | -172 | 29 | -35.2 | 0 | 0 | 0 | 113.1 | ||
| 19 | D | 52.1 | Low | 59.4 | Low | 111 Ų | 111 | 54.9 Ų | 54.9 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -91.4 | 133.1 | -177.2 | -71.6 | -58.6 | 0 | 0 | 0 | 111.7 | G21 D22 | D19-G21 PolarHBondContact O-N 2.89Å; D19-D22 PolarHBondContact O-N 3.37Å; D19-D22 VanDerWaalsContact O-N 3.14Å |
| 20 | E | 50.2 | Low | 60.1 | Low | 152 Ų | 152 | 52.5 Ų | 52.5 | 71% | 0.71 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9.7 | -172.5 | -53 | -154.3 | 126.3 | 0 | 0 | 114.8 | K85 | E20-K85 IonicContact OE1-NZ 3.68Å; E20-K85 PolarHBondContact OE1-NZ 2.84Å; E20-K85 IonicContact OE2-NZ 2.74Å; E20-K85 PolarHBondContact OE2-NZ 2.74Å |
| 21 | G | 51.9 | Low | 60.4 | Low | 66 Ų | 66 | 49.8 Ų | 49.8 | 68% | 0.68 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -12 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D19 | D19-G21 PolarHBondContact O-N 2.89Š|
| 22 | D | 60 | Low | 60.6 | Low | 65 Ų | 65 | 52.4 Ų | 52.4 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -72.5 | 137.8 | -173.4 | -81.8 | -11.3 | 0 | 0 | 0 | 112.6 | F17 D19 Q24 | F17-D22 HydrophobicContact CB-CB 3.54Å; F17-D22 WeakPolarHBondContact CB-OD2 3.25Å; F17-D22 HydrophobicContact CD2-CB 3.93Å; F17-D22 HydrophobicContact CG-CB 4Å; D19-D22 PolarHBondContact O-N 3.37Å; D19-D22 VanDerWaalsContact O-N 3.14Å; D22-Q24 PolarHBondContact O-N 3.32Å; D22-Q24 VanDerWaalsContact O-N 3.16Å |
| 23 | I | 63.2 | Low | 60.3 | Low | 50 Ų | 50 | 51.4 Ų | 51.4 | 26% | 0.256 | 28% | 0.278 | S | S | . | . | trans | -74.5 | 107.8 | -179.7 | -56.3 | 168 | 0 | 0 | 0 | 109 | F17 V90 I163 I170 | F17-I23 VanDerWaalsContact CE2-O 3.32Å; F17-I23 WeakPolarHBondContact CE2-O 3.33Å; I23-V90 HydrophobicContact CG2-CG2 3.71Å; I23-I163 HydrophobicContact CB-CG2 4.21Å; I23-I163 HydrophobicContact CD1-CG2 3.9Å; I23-I163 HydrophobicContact CG2-CG2 3.94Å; I23-I170 HydrophobicContact CD1-CD1 3.68Å; I23-I170 HydrophobicContact CD1-CG1 4.38Å; I23-I170 HydrophobicContact CG1-CD1 3.98Å; I23-I170 HydrophobicContact CG2-CD1 4.4Å; I23-I170 HydrophobicContact CG2-CG1 4.14Å | ||
| 24 | Q | 69.6 | Low | 59.9 | Low | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 166.6 | 179.8 | -62 | -171.6 | -15 | 0 | 0 | 111.9 | L14 T15 F17 D22 V87 N88 A89 V90 N175 | L14-Q24 HydrophobicContact CD1-CB 3.63Å; L14-Q24 HydrophobicContact CG-CB 4.49Å; T15-Q24 WeakPolarHBondContact O-CB 3.29Å; T15-Q24 WeakPolarHBondContact O-CG 3.36Å; T15-Q24 PolarHBondContact O-NE2 3.35Å; T15-Q24 PolarHBondContact O-OE1 2.96Å; T15-Q24 WeakPolarHBondContact OG1-CA 3.49Å; F17-Q24 HydrophobicContact CD2-CG 4.34Å; D22-Q24 PolarHBondContact O-N 3.32Å; D22-Q24 VanDerWaalsContact O-N 3.16Å; Q24-V87 VanDerWaalsContact CD-CG1 3.43Å; Q24-V87 HydrophobicContact CG-CG1 3.86Å; Q24-N88 PolarHBondContact N-O 3.44Å; Q24-A89 HydrophobicContact CB-CB 3.99Å; Q24-A89 CarbonylContact O-C 3.59Å; Q24-A89 WeakPolarHBondContact O-CA 3.13Å; Q24-V90 PolarHBondContact O-N 3.49Å; Q24-N175 PolarHBondContact OE1-ND2 2.9Å |
| 25 | Q | 67.3 | Low | 59.5 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 104.1 | -172.4 | -56 | 174 | 3.5 | 0 | 0 | 108.7 | L14 T15 F17 Y27 M92 P156 T160 I163 | L14-Q25 WeakPolarHBondContact CA-O 3.11Å; T15-Q25 HydrophobicContact CG2-CB 3.91Å; T15-Q25 HydrophobicContact CG2-CG 4.23Å; T15-Q25 PolarHBondContact N-O 3.45Å; T15-Q25 VanDerWaalsContact N-O 3.16Å; T15-Q25 PolarHBondContact OG1-N 3.24Å; F17-Q25 HydrophobicContact CE2-CG 4.26Å; Q25-Y27 HydrophobicContact CB-CD2 4.46Å; Q25-Y27 HydrophobicContact CB-CE2 3.71Å; Q25-Y27 VanDerWaalsContact O-CD2 3.3Å; Q25-Y27 WeakPolarHBondContact O-CD2 3.44Å; Q25-Y27 WeakPolarHBondContact O-CE2 3.39Å; Q25-Y27 PolarHBondContact O-N 2.81Å; Q25-Y27 PolarHBondContact OE1-OH 2.81Å; Q25-M92 HydrophobicContact CB-CE 4.23Å; Q25-M92 HydrophobicContact CB-SD 4.16Å; Q25-M92 HydrophobicContact CG-CE 4.06Å; Q25-P156 PolarHBondContact NE2-O 2.92Å; Q25-P156 VanDerWaalsContact NE2-O 3.11Å; Q25-T160 PolarHBondContact NE2-OG1 3.27Å; Q25-T160 VanDerWaalsContact NE2-OG1 3.14Å; Q25-I163 HydrophobicContact CG-CD1 3.62Å |
| 26 | Q | 67.4 | Low | 59.1 | Low | 22 Ų | 22 | 62.8 Ų | 62.8 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 100.4 | 179.7 | 173.6 | 149.4 | 112.3 | 0 | 0 | 110.5 | L13 L14 A89 V90 M92 | L13-Q26 CarbonylContact O-C 3.59Å; L13-Q26 WeakPolarHBondContact O-CA 3.31Å; L14-Q26 HydrophobicContact CD1-CB 4.03Å; Q26-A89 HydrophobicContact CB-CB 4.38Å; Q26-V90 PolarHBondContact N-O 2.87Å; Q26-M92 PolarHBondContact O-N 3.13Å |
| 27 | Y | 65.4 | Low | 58.6 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 130.8 | 175.9 | -55.5 | -94.6 | 0 | 0 | 0 | 111.5 | K12 L13 T15 Q25 I76 M92 L94 L103 L159 | K12-Y27 CarbonylContact C-O 3.46Å; K12-Y27 WeakPolarHBondContact CA-O 3.35Å; L13-Y27 HydrophobicContact CB-CD2 4.22Å; L13-Y27 PolarHBondContact N-O 3.3Å; L13-Y27 PolarHBondContact O-N 2.85Å; T15-Y27 HydrophobicContact CG2-CE2 4.12Å; Q25-Y27 HydrophobicContact CB-CD2 4.46Å; Q25-Y27 HydrophobicContact CB-CE2 3.71Å; Q25-Y27 VanDerWaalsContact O-CD2 3.3Å; Q25-Y27 WeakPolarHBondContact O-CD2 3.44Å; Q25-Y27 WeakPolarHBondContact O-CE2 3.39Å; Q25-Y27 PolarHBondContact O-N 2.81Å; Q25-Y27 PolarHBondContact OE1-OH 2.81Å; Y27-I76 HydrophobicContact CD2-CD1 4.16Å; Y27-I76 HydrophobicContact CD2-CG2 3.94Å; Y27-I76 HydrophobicContact CE2-CD1 3.41Å; Y27-I76 VanDerWaalsContact CE2-CD1 3.41Å; Y27-I76 HydrophobicContact CE2-CG2 3.89Å; Y27-M92 CarbonylContact C-O 3.58Å; Y27-M92 VanDerWaalsContact CA-O 3.31Å; Y27-M92 WeakPolarHBondContact CA-O 3.47Å; Y27-M92 HydrophobicContact CD1-CB 4.11Å; Y27-M92 HydrophobicContact CD1-SD 4.35Å; Y27-M92 HydrophobicContact CE1-SD 3.89Å; Y27-L94 HydrophobicContact CD1-CB 4.07Å; Y27-L94 HydrophobicContact CD1-CD2 3.73Å; Y27-L94 HydrophobicContact CD1-CG 4.49Å; Y27-L94 HydrophobicContact CE1-CD2 4.3Å; Y27-L94 HydrophobicContact CG-CD2 4.35Å; Y27-L103 HydrophobicContact CD1-CD2 3.95Å; Y27-L103 HydrophobicContact CE1-CD2 3.61Å; Y27-L159 HydrophobicContact CE1-CD1 3.87Å; Y27-L159 WeakPolarHBondContact OH-CD1 3.32Å |
| 28 | Q | 64.9 | Low | 58 | Low | 58 Ų | 58 | 70.2 Ų | 70.2 | 27% | 0.271 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 100.5 | 169.1 | -53.6 | -159.6 | 40.1 | 0 | 0 | 109 | K12 D91 M92 L94 | K12-Q28 VanDerWaalsContact CE-CD 3.43Å; K12-Q28 HydrophobicContact CG-CG 4.43Å; Q28-D91 PolarHBondContact NE2-OD1 3.37Å; Q28-M92 PolarHBondContact N-O 2.69Å; Q28-L94 PolarHBondContact O-N 2.83Å |
| 29 | V | 64.3 | Low | 58 | Low | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 116.2 | 179.4 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | N10 L11 L13 S31 L34 L94 L96 | N10-V29 CarbonylContact C-O 3.51Å; N10-V29 WeakPolarHBondContact CA-O 3.38Å; N10-V29 WeakPolarHBondContact CB-O 3.24Å; L11-V29 HydrophobicContact CB-CB 4.3Å; L11-V29 PolarHBondContact N-O 3.46Å; L11-V29 PolarHBondContact O-N 2.87Å; L13-V29 HydrophobicContact CD1-CG2 3.93Å; L13-V29 HydrophobicContact CG-CG2 4.34Å; V29-S31 PolarHBondContact O-N 2.69Å; V29-S31 VanDerWaalsContact O-N 3.14Å; V29-L34 HydrophobicContact CG1-CD1 3.98Å; V29-L34 HydrophobicContact CG1-CG 4.48Å; V29-L94 HydrophobicContact CG2-CB 4.07Å; V29-L94 HydrophobicContact CG2-CD2 3.98Å; V29-L94 HydrophobicContact CG2-CG 4.13Å; V29-L96 HydrophobicContact CG1-CD1 4.45Å |
| 30 | D | 62.3 | Low | 57.6 | Low | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | trans | -74.5 | 107.2 | 173.2 | -171.7 | -7.1 | 0 | 0 | 0 | 110.3 | N10 K32 M33 | N10-D30 PolarHBondContact OD1-OD1 3.38Å; D30-K32 PolarHBondContact O-N 3.08Å; D30-K32 VanDerWaalsContact OD1-CB 3.32Å; D30-K32 WeakPolarHBondContact OD1-CB 3.49Å; D30-K32 VanDerWaalsContact OD1-CG 3.3Å; D30-K32 WeakPolarHBondContact OD1-CG 3.44Å; D30-K32 PolarHBondContact OD1-N 3.32Å; D30-K32 IonicContact OD1-NZ 3.24Å; D30-K32 PolarHBondContact OD1-NZ 3.16Å; D30-K32 IonicContact OD2-NZ 3.96Å; D30-K32 PolarHBondContact OD2-NZ 3.32Å; D30-M33 HydrophobicContact CB-CG 4.05Å; D30-M33 WeakPolarHBondContact O-CB 3.43Å; D30-M33 PolarHBondContact O-N 3.37Å | ||
| 31 | S | 59.7 | Low | 57.5 | Low | 15 Ų | 15 | 59.7 Ų | 59.7 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -48.9 | -21.4 | 172.6 | 57.2 | 0 | 0 | 0 | 0 | 115.3 | S9 V29 | S9-S31 PolarHBondContact O-OG 2.97Å; V29-S31 PolarHBondContact O-N 2.69Å; V29-S31 VanDerWaalsContact O-N 3.14Å |
| 32 | K | 60.5 | Low | 57.2 | Low | 129 Ų | 129 | 59.8 Ų | 59.8 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -75.3 | -24.3 | 175.1 | -59 | 179.5 | -132.8 | 82.2 | 0 | 113.1 | D30 L34 T35 | D30-K32 PolarHBondContact O-N 3.08Å; D30-K32 VanDerWaalsContact OD1-CB 3.32Å; D30-K32 WeakPolarHBondContact OD1-CB 3.49Å; D30-K32 VanDerWaalsContact OD1-CG 3.3Å; D30-K32 WeakPolarHBondContact OD1-CG 3.44Å; D30-K32 PolarHBondContact OD1-N 3.32Å; D30-K32 IonicContact OD1-NZ 3.24Å; D30-K32 PolarHBondContact OD1-NZ 3.16Å; D30-K32 IonicContact OD2-NZ 3.96Å; D30-K32 PolarHBondContact OD2-NZ 3.32Å; K32-L34 PolarHBondContact O-N 2.7Å; K32-T35 WeakPolarHBondContact O-CG2 3.44Å; K32-T35 PolarHBondContact O-OG1 3.18Å |
| 33 | M | 54.8 | Low | 56.5 | Low | 96 Ų | 96 | 60.4 Ų | 60.4 | 47% | 0.473 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -79.3 | -8.1 | 176.1 | -59.5 | -62.7 | -177.3 | 0 | 0 | 112.7 | D30 V95 | D30-M33 HydrophobicContact CB-CG 4.05Å; D30-M33 WeakPolarHBondContact O-CB 3.43Å; D30-M33 PolarHBondContact O-N 3.37Å; M33-V95 HydrophobicContact CB-CG1 4.43Å; M33-V95 HydrophobicContact CG-CG1 4.47Å |
| 34 | L | 56.7 | Low | 55.8 | Low | 60 Ų | 60 | 65.2 Ų | 65.2 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -104.9 | 51.9 | 176.9 | -55.5 | 177.2 | 0 | 0 | 0 | 110.6 | V29 K32 D39 L96 | V29-L34 HydrophobicContact CG1-CD1 3.98Å; V29-L34 HydrophobicContact CG1-CG 4.48Å; K32-L34 PolarHBondContact O-N 2.7Å; L34-D39 WeakPolarHBondContact CA-OD2 3.48Å; L34-L96 HydrophobicContact CD2-CB 4Å; L34-L96 HydrophobicContact CD2-CD1 4.23Å |
| 35 | T | 52.8 | Low | 55.2 | Low | 84 Ų | 84 | 68.2 Ų | 68.2 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | trans | -126 | -5.6 | -169.4 | 57.7 | 0 | 0 | 0 | 0 | 115.6 | K32 D39 | K32-T35 WeakPolarHBondContact O-CG2 3.44Å; K32-T35 PolarHBondContact O-OG1 3.18Å; T35-D39 PolarHBondContact N-OD2 3.39Å | ||
| 36 | K | 54.5 | Low | 54.5 | Low | 133 Ų | 133 | 77 Ų | 77 | 58% | 0.578 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -90.4 | 165.7 | 172 | -54.5 | 174.6 | -178.2 | 175.2 | 0 | 110.5 | D38 D39 | K36-D38 VanDerWaalsContact C-N 3.3Å; K36-D38 HydrophobicContact CB-CB 4.5Å; K36-D39 WeakPolarHBondContact CA-OD2 3.45Å; K36-D39 VanDerWaalsContact CB-OD2 3.31Å; K36-D39 WeakPolarHBondContact CB-OD2 3.39Å; K36-D39 PolarHBondContact N-OD2 3.4Å; K36-D39 PolarHBondContact O-N 3.27Å |
| 37 | E | 46.9 | Very low | 54.2 | Low | 172 Ų | 172 | 79.1 Ų | 79.1 | 80% | 0.804 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -76.5 | -23.6 | 175 | -62.6 | 179.6 | 164.6 | 0 | 0 | 111.2 | D39 V40 | E37-D39 PolarHBondContact O-N 3Å; E37-V40 PolarHBondContact O-N 2.89Å |
| 38 | D | 47.6 | Very low | 54.3 | Low | 98 Ų | 98 | 84.8 Ų | 84.8 | 52% | 0.524 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -22.6 | 170.1 | -50.5 | -60 | 0 | 0 | 0 | 113.4 | K36 V40 R98 | K36-D38 VanDerWaalsContact C-N 3.3Å; K36-D38 HydrophobicContact CB-CB 4.5Å; D38-V40 PolarHBondContact O-N 2.91Å; D38-R98 WeakPolarHBondContact O-CB 3.44Å |
| 39 | D | 45.4 | Very low | 54.5 | Low | 18 Ų | 18 | 84.5 Ų | 84.5 | 10% | 0.096 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 6.7 | -178.4 | -46.3 | -32.1 | 0 | 0 | 0 | 111.8 | L34 T35 K36 E37 | L34-D39 WeakPolarHBondContact CA-OD2 3.48Å; T35-D39 PolarHBondContact N-OD2 3.39Å; K36-D39 WeakPolarHBondContact CA-OD2 3.45Å; K36-D39 VanDerWaalsContact CB-OD2 3.31Å; K36-D39 WeakPolarHBondContact CB-OD2 3.39Å; K36-D39 PolarHBondContact N-OD2 3.4Å; K36-D39 PolarHBondContact O-N 3.27Å; E37-D39 PolarHBondContact O-N 3Å |
| 40 | V | 44.2 | Very low | 54.9 | Low | 86 Ų | 86 | 92.6 Ų | 92.6 | 52% | 0.521 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -120.5 | 117.4 | -178.4 | -175.8 | 0 | 0 | 0 | 0 | 110 | E37 D38 A42 | E37-V40 PolarHBondContact O-N 2.89Å; D38-V40 PolarHBondContact O-N 2.91Å; V40-A42 VanDerWaalsContact C-N 3.28Å; V40-A42 HydrophobicContact CG1-CB 4.07Å; V40-A42 PolarHBondContact O-N 3.46Å |
| 41 | V | 49.1 | Very low | 55.7 | Low | 58 Ų | 58 | 101 Ų | 101 | 35% | 0.352 | 50% | 0.504 | S | S | . | . | trans | -73.9 | 83.2 | 170.9 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | M43 | V41-M43 HydrophobicContact CG1-CE 3.94Š| ||
| 42 | A | 44 | Very low | 56.5 | Low | 69 Ų | 69 | 102.5 Ų | 102.5 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | trans | -123.9 | 135.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V40 | V40-A42 VanDerWaalsContact C-N 3.28Å; V40-A42 HydrophobicContact CG1-CB 4.07Å; V40-A42 PolarHBondContact O-N 3.46Å | ||
| 43 | M | 46 | Very low | 57.2 | Low | 77 Ų | 77 | 99.9 Ų | 99.9 | 38% | 0.379 | 50% | 0.503 | S | S | . | . | trans | -156.1 | 104.5 | -156.9 | -173 | -166.2 | -35.9 | 0 | 0 | 110.8 | V41 M45 E63 | V41-M43 HydrophobicContact CG1-CE 3.94Å; M43-M45 HydrophobicContact CG-CG 4.03Å; M43-E63 HydrophobicContact CE-CB 3.55Å; M43-E63 VanDerWaalsContact CE-CD 3.42Å; M43-E63 HydrophobicContact CE-CG 3.75Å; M43-E63 VanDerWaalsContact CE-OE2 3.3Å; M43-E63 WeakPolarHBondContact CE-OE2 3.14Å; M43-E63 HydrophobicContact SD-CB 3.61Å; M43-E63 HydrophobicContact SD-CG 3.65Å | ||
| 44 | E | 49 | Very low | 58.2 | Low | 152 Ų | 152 | 99.6 Ų | 99.6 | 71% | 0.71 | 51% | 0.51 | S | S | * | . | trans | -110.5 | 111 | 170.8 | -62.3 | -174.8 | -179.2 | 0 | 0 | 107.9 | Y46 | E44-Y46 HydrophobicContact CB-CD2 4.38Å; E44-Y46 HydrophobicContact CB-CE2 3.55Å; E44-Y46 PolarHBondContact OE2-OH 2.98Å | ||
| 45 | M | 56.9 | Low | 59 | Low | 75 Ų | 75 | 102.7 Ų | 102.7 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | trans | -100.4 | 123.1 | -178.1 | -61 | -152.5 | 76.7 | 0 | 0 | 111.1 | M43 L56 T59 L60 | M43-M45 HydrophobicContact CG-CG 4.03Å; M45-L56 HydrophobicContact CB-CD1 3.53Å; M45-L56 HydrophobicContact CE-CD1 3.77Å; M45-L56 HydrophobicContact CG-CD1 4.2Å; M45-L56 HydrophobicContact SD-CD1 3.64Å; M45-T59 HydrophobicContact CE-CG2 3.48Å; M45-T59 VanDerWaalsContact CE-CG2 3.48Å; M45-T59 HydrophobicContact SD-CG2 3.81Å; M45-L60 HydrophobicContact SD-CD2 3.98Å; M45-L60 HydrophobicContact SD-CG 4.16Å | ||
| 46 | Y | 52.5 | Low | 60 | Low | 183 Ų | 183 | 100.1 Ų | 100.1 | 72% | 0.718 | 50% | 0.504 | S | S | * | . | trans | -117.5 | 115.7 | -179.3 | -63.5 | -84.4 | 0 | 0 | 0 | 110.3 | E44 | E44-Y46 HydrophobicContact CB-CD2 4.38Å; E44-Y46 HydrophobicContact CB-CE2 3.55Å; E44-Y46 PolarHBondContact OE2-OH 2.98Å | ||
| 47 | L | 61.4 | Low | 60.9 | Low | 67 Ų | 67 | 97.1 Ų | 97.1 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | trans | -78.2 | 123.1 | 170.1 | -81.5 | 175.9 | 0 | 0 | 0 | 110.5 | D52 L53 L56 | L47-D52 HydrophobicContact CD2-CB 3.95Å; L47-L53 HydrophobicContact CD1-CB 4.4Å; L47-L53 HydrophobicContact CD1-CD1 4.05Å; L47-L56 HydrophobicContact CD1-CB 4.47Å; L47-L56 HydrophobicContact CD1-CD2 3.73Å; L47-L56 HydrophobicContact CD2-CB 4Å; L47-L56 HydrophobicContact CG-CB 4.32Å; L47-L56 HydrophobicContact CG-CD1 4.46Å; L47-L56 HydrophobicContact CG-CD2 3.98Å; L47-L56 HydrophobicContact CG-CG 4.48Å | ||
| 48 | S | 66.8 | Low | 62.3 | Low | 120 Ų | 120 | 93.7 Ų | 93.7 | 84% | 0.839 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -84.7 | -28.6 | 167.5 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 49 | D | 70.1 | Confident | 63.4 | Low | 52 Ų | 52 | 91.3 Ų | 91.3 | 28% | 0.278 | 47% | 0.467 | S | S | . | . | trans | -143.3 | 134.3 | -179.2 | -169.3 | -35.6 | 0 | 0 | 0 | 109.7 | R51 D52 | D49-R51 PolarHBondContact O-N 3.36Å; D49-R51 WeakPolarHBondContact OD1-CB 3.13Å; D49-R51 WeakPolarHBondContact OD1-CG 3.48Å; D49-R51 PolarHBondContact OD1-N 2.92Å; D49-R51 IonicContact OD1-NE 3.39Å; D49-R51 PolarHBondContact OD1-NE 3.37Å; D49-R51 IonicContact OD2-CZ 2.63Å; D49-R51 IonicContact OD2-NE 3.89Å; D49-R51 PolarHBondContact OD2-NE 3.09Å; D49-R51 IonicContact OD2-NH2 3.63Å; D49-R51 PolarHBondContact OD2-NH2 3.46Å; D49-D52 PolarHBondContact O-N 3.35Å | ||
| 50 | F | 70.8 | Confident | 64.6 | Low | 175 Ų | 175 | 94.5 Ų | 94.5 | 77% | 0.768 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -64.2 | -16.9 | 176.9 | -78.6 | -84.3 | 0 | 0 | 0 | 113.5 | D52 L53 | F50-D52 PolarHBondContact O-N 2.93Å; F50-L53 WeakPolarHBondContact O-CB 3.44Å; F50-L53 PolarHBondContact O-N 3.3Å; F50-L53 VanDerWaalsContact O-N 3.16Å |
| 51 | R | 80.1 | Confident | 66 | Low | 201 Ų | 201 | 97.5 Ų | 97.5 | 76% | 0.758 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -69 | -20.8 | 172.8 | -64.7 | 178.4 | -68.4 | 171.5 | 2 | 113.1 | D49 L53 | D49-R51 PolarHBondContact O-N 3.36Å; D49-R51 WeakPolarHBondContact OD1-CB 3.13Å; D49-R51 WeakPolarHBondContact OD1-CG 3.48Å; D49-R51 PolarHBondContact OD1-N 2.92Å; D49-R51 IonicContact OD1-NE 3.39Å; D49-R51 PolarHBondContact OD1-NE 3.37Å; D49-R51 IonicContact OD2-CZ 2.63Å; D49-R51 IonicContact OD2-NE 3.89Å; D49-R51 PolarHBondContact OD2-NE 3.09Å; D49-R51 IonicContact OD2-NH2 3.63Å; D49-R51 PolarHBondContact OD2-NH2 3.46Å; R51-L53 VanDerWaalsContact C-N 3.28Å |
| 52 | D | 76.6 | Confident | 67.1 | Low | 48 Ų | 48 | 95.2 Ų | 95.2 | 26% | 0.257 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -86.3 | 4.3 | 172.7 | -69.3 | -51.1 | 0 | 0 | 0 | 113 | L47 D49 F50 S54 K55 L56 | L47-D52 HydrophobicContact CD2-CB 3.95Å; D49-D52 PolarHBondContact O-N 3.35Å; F50-D52 PolarHBondContact O-N 2.93Å; D52-S54 PolarHBondContact O-N 3.43Å; D52-K55 HydrophobicContact CB-CD 4.43Å; D52-K55 WeakPolarHBondContact O-CA 3.41Å; D52-K55 WeakPolarHBondContact O-CB 3.41Å; D52-K55 PolarHBondContact O-N 3.02Å; D52-K55 WeakPolarHBondContact OD1-CD 3.44Å; D52-K55 VanDerWaalsContact OD1-CE 3.3Å; D52-K55 WeakPolarHBondContact OD1-CE 3.3Å; D52-K55 IonicContact OD1-NZ 3.22Å; D52-K55 PolarHBondContact OD1-NZ 3.31Å; D52-L56 PolarHBondContact O-N 2.95Å |
| 53 | L | 75.4 | Confident | 68.4 | Low | 73 Ų | 73 | 93.1 Ų | 93.1 | 38% | 0.382 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -55.4 | -36.4 | 177.5 | 178 | 61.4 | 0 | 0 | 0 | 112.8 | L47 F50 R51 K55 L56 I57 | L47-L53 HydrophobicContact CD1-CB 4.4Å; L47-L53 HydrophobicContact CD1-CD1 4.05Å; F50-L53 WeakPolarHBondContact O-CB 3.44Å; F50-L53 PolarHBondContact O-N 3.3Å; F50-L53 VanDerWaalsContact O-N 3.16Å; R51-L53 VanDerWaalsContact C-N 3.28Å; L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 3.42Å; L53-L56 HydrophobicContact CD1-CD2 4.09Å; L53-L56 WeakPolarHBondContact O-CB 3.43Å; L53-L56 PolarHBondContact O-N 2.81Å; L53-I57 HydrophobicContact CD1-CD1 4.08Å; L53-I57 HydrophobicContact CD1-CG1 4.21Å; L53-I57 HydrophobicContact CG-CD1 3.9Å; L53-I57 HydrophobicContact CG-CG1 4.47Å; L53-I57 VanDerWaalsContact O-CG1 3.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3.31Å |
| 54 | S | 74.9 | Confident | 69.6 | Low | 90 Ų | 90 | 96.6 Ų | 96.6 | 63% | 0.629 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.3 | -38.8 | 175.4 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | D52 I57 E58 | D52-S54 PolarHBondContact O-N 3.43Å; S54-I57 PolarHBondContact O-N 3.06Å; S54-E58 WeakPolarHBondContact O-CB 3.47Å; S54-E58 PolarHBondContact O-N 2.8Å |
| 55 | K | 73.5 | Confident | 70.7 | Confident | 125 Ų | 125 | 91.1 Ų | 91.1 | 54% | 0.543 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.9 | -35 | 176.1 | -57.3 | 174.7 | -172 | 160.1 | 0 | 111.6 | D52 L53 E58 T59 | D52-K55 HydrophobicContact CB-CD 4.43Å; D52-K55 WeakPolarHBondContact O-CA 3.41Å; D52-K55 WeakPolarHBondContact O-CB 3.41Å; D52-K55 PolarHBondContact O-N 3.02Å; D52-K55 WeakPolarHBondContact OD1-CD 3.44Å; D52-K55 VanDerWaalsContact OD1-CE 3.3Å; D52-K55 WeakPolarHBondContact OD1-CE 3.3Å; D52-K55 IonicContact OD1-NZ 3.22Å; D52-K55 PolarHBondContact OD1-NZ 3.31Å; L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 3.42Å; K55-E58 PolarHBondContact O-N 2.98Å; K55-T59 WeakPolarHBondContact O-CB 3.31Å; K55-T59 PolarHBondContact O-N 3.36Å; K55-T59 PolarHBondContact O-OG1 3.18Å |
| 56 | L | 74 | Confident | 71.4 | Confident | 31 Ų | 31 | 87.8 Ų | 87.8 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 170.4 | -176.7 | 79.8 | 0 | 0 | 0 | 110.3 | M45 L47 D52 L53 E58 T59 L60 | M45-L56 HydrophobicContact CB-CD1 3.53Å; M45-L56 HydrophobicContact CE-CD1 3.77Å; M45-L56 HydrophobicContact CG-CD1 4.2Å; M45-L56 HydrophobicContact SD-CD1 3.64Å; L47-L56 HydrophobicContact CD1-CB 4.47Å; L47-L56 HydrophobicContact CD1-CD2 3.73Å; L47-L56 HydrophobicContact CD2-CB 4Å; L47-L56 HydrophobicContact CG-CB 4.32Å; L47-L56 HydrophobicContact CG-CD1 4.46Å; L47-L56 HydrophobicContact CG-CD2 3.98Å; L47-L56 HydrophobicContact CG-CG 4.48Å; D52-L56 PolarHBondContact O-N 2.95Å; L53-L56 HydrophobicContact CD1-CD2 4.09Å; L53-L56 WeakPolarHBondContact O-CB 3.43Å; L53-L56 PolarHBondContact O-N 2.81Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 2.72Å; L56-T59 PolarHBondContact O-N 3.02Å; L56-L60 HydrophobicContact CD1-CD1 4.43Å; L56-L60 HydrophobicContact CD2-CD1 4.12Å; L56-L60 HydrophobicContact CG-CD1 3.84Å; L56-L60 HydrophobicContact CG-CG 4.29Å; L56-L60 WeakPolarHBondContact O-CB 3.41Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.43Å; L56-L60 PolarHBondContact O-N 3.39Å |
| 57 | I | 73.7 | Confident | 72.2 | Confident | 69 Ų | 69 | 80.7 Ų | 80.7 | 35% | 0.354 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 179.2 | -69 | 165.6 | 0 | 0 | 0 | 111.1 | L53 S54 R61 | L53-I57 HydrophobicContact CD1-CD1 4.08Å; L53-I57 HydrophobicContact CD1-CG1 4.21Å; L53-I57 HydrophobicContact CG-CD1 3.9Å; L53-I57 HydrophobicContact CG-CG1 4.47Å; L53-I57 VanDerWaalsContact O-CG1 3.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3.31Å; S54-I57 PolarHBondContact O-N 3.06Å; I57-R61 WeakPolarHBondContact O-CB 3.42Å; I57-R61 WeakPolarHBondContact O-CD 3.31Å; I57-R61 WeakPolarHBondContact O-CG 3.4Å; I57-R61 PolarHBondContact O-N 3.36Å |
| 58 | E | 75.6 | Confident | 72.6 | Confident | 101 Ų | 101 | 78.9 Ų | 78.9 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 173.9 | -176.1 | 176.3 | -165.7 | 0 | 0 | 111.9 | S54 K55 L56 R61 S62 P121 | S54-E58 WeakPolarHBondContact O-CB 3.47Å; S54-E58 PolarHBondContact O-N 2.8Å; K55-E58 PolarHBondContact O-N 2.98Å; L56-E58 VanDerWaalsContact C-N 3.34Å; L56-E58 PolarHBondContact O-N 2.72Å; E58-R61 WeakPolarHBondContact O-CB 3.42Å; E58-R61 PolarHBondContact O-N 3.26Å; E58-S62 PolarHBondContact O-N 2.71Å; E58-S62 PolarHBondContact O-OG 2.61Å; E58-P121 HydrophobicContact CG-CB 3.97Å; E58-P121 HydrophobicContact CG-CG 4.49Å |
| 59 | T | 71.6 | Confident | 72.9 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 178.8 | -49 | 0 | 0 | 0 | 0 | 111.5 | M45 K55 L56 R61 S62 E63 | M45-T59 HydrophobicContact CE-CG2 3.48Å; M45-T59 VanDerWaalsContact CE-CG2 3.48Å; M45-T59 HydrophobicContact SD-CG2 3.81Å; K55-T59 WeakPolarHBondContact O-CB 3.31Å; K55-T59 PolarHBondContact O-N 3.36Å; K55-T59 PolarHBondContact O-OG1 3.18Å; L56-T59 PolarHBondContact O-N 3.02Å; T59-R61 PolarHBondContact O-N 2.9Å; T59-S62 WeakPolarHBondContact CA-OG 3.39Å; T59-S62 PolarHBondContact O-N 3.4Å; T59-S62 PolarHBondContact O-OG 2.99Å; T59-E63 HydrophobicContact CG2-CG 4.08Å; T59-E63 WeakPolarHBondContact O-CB 3.46Å; T59-E63 VanDerWaalsContact O-CG 3.28Å; T59-E63 WeakPolarHBondContact O-CG 3.36Å; T59-E63 PolarHBondContact O-N 3.46Å |
| 60 | L | 71.3 | Confident | 72.9 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 45% | 0.445 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.3 | -30 | 175.2 | -71.2 | 172.4 | 0 | 0 | 0 | 112 | M45 L56 W64 | M45-L60 HydrophobicContact SD-CD2 3.98Å; M45-L60 HydrophobicContact SD-CG 4.16Å; L56-L60 HydrophobicContact CD1-CD1 4.43Å; L56-L60 HydrophobicContact CD2-CD1 4.12Å; L56-L60 HydrophobicContact CG-CD1 3.84Å; L56-L60 HydrophobicContact CG-CG 4.29Å; L56-L60 WeakPolarHBondContact O-CB 3.41Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.43Å; L56-L60 PolarHBondContact O-N 3.39Å; L60-W64 WeakPolarHBondContact O-CB 3.44Å; L60-W64 PolarHBondContact O-N 3.41Å |
| 61 | R | 73.3 | Confident | 72.6 | Confident | 149 Ų | 149 | 70.6 Ų | 70.6 | 56% | 0.562 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -74.6 | -44.3 | 174.4 | -75.9 | 168 | 174.4 | -174.1 | -2.2 | 112.6 | I57 E58 T59 K65 | I57-R61 WeakPolarHBondContact O-CB 3.42Å; I57-R61 WeakPolarHBondContact O-CD 3.31Å; I57-R61 WeakPolarHBondContact O-CG 3.4Å; I57-R61 PolarHBondContact O-N 3.36Å; E58-R61 WeakPolarHBondContact O-CB 3.42Å; E58-R61 PolarHBondContact O-N 3.26Å; T59-R61 PolarHBondContact O-N 2.9Å; R61-K65 WeakPolarHBondContact O-CG 3.34Å; R61-K65 PolarHBondContact O-N 3.41Å; R61-K65 VanDerWaalsContact O-N 3.11Å |
| 62 | S | 71 | Confident | 72 | Confident | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.4 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | E58 T59 K65 H66 E118 S122 | E58-S62 PolarHBondContact O-N 2.71Å; E58-S62 PolarHBondContact O-OG 2.61Å; T59-S62 WeakPolarHBondContact CA-OG 3.39Å; T59-S62 PolarHBondContact O-N 3.4Å; T59-S62 PolarHBondContact O-OG 2.99Å; S62-K65 PolarHBondContact O-N 3.12Å; S62-H66 WeakPolarHBondContact O-CB 3.3Å; S62-H66 PolarHBondContact O-N 3.31Å; S62-E118 WeakPolarHBondContact CB-OE1 3.44Å; S62-S122 WeakPolarHBondContact CA-OG 3.44Å; S62-S122 PolarHBondContact N-OG 3.07Å |
| 63 | E | 71.4 | Confident | 71.4 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.2 | -31.9 | -179.7 | -72.4 | -81.4 | -157.9 | 0 | 0 | 112.6 | M43 T59 H66 A67 R98 | M43-E63 HydrophobicContact CE-CB 3.55Å; M43-E63 VanDerWaalsContact CE-CD 3.42Å; M43-E63 HydrophobicContact CE-CG 3.75Å; M43-E63 VanDerWaalsContact CE-OE2 3.3Å; M43-E63 WeakPolarHBondContact CE-OE2 3.14Å; M43-E63 HydrophobicContact SD-CB 3.61Å; M43-E63 HydrophobicContact SD-CG 3.65Å; T59-E63 HydrophobicContact CG2-CG 4.08Å; T59-E63 WeakPolarHBondContact O-CB 3.46Å; T59-E63 VanDerWaalsContact O-CG 3.28Å; T59-E63 WeakPolarHBondContact O-CG 3.36Å; T59-E63 PolarHBondContact O-N 3.46Å; E63-H66 WeakPolarHBondContact O-CB 3.4Å; E63-H66 PolarHBondContact O-N 3.07Å; E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.01Å; E63-R98 IonicContact OE1-CZ 2.69Å; E63-R98 IonicContact OE1-NH2 2.76Å; E63-R98 PolarHBondContact OE1-NH2 2.84Å |
| 64 | W | 70.6 | Confident | 70.8 | Confident | 149 Ų | 149 | 61.1 Ų | 61.1 | 56% | 0.564 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 168 | 175.2 | 76.9 | 0 | 0 | 0 | 111.9 | L60 H66 A67 S68 W153 | L60-W64 WeakPolarHBondContact O-CB 3.44Å; L60-W64 PolarHBondContact O-N 3.41Å; W64-H66 VanDerWaalsContact C-N 3.32Å; W64-H66 PolarHBondContact O-N 3.26Å; W64-A67 PolarHBondContact O-N 3.37Å; W64-S68 WeakPolarHBondContact O-CB 3.29Å; W64-S68 PolarHBondContact O-N 3.16Å; W64-W153 HydrophobicContact CH2-CE3 4.09Å; W64-W153 AromaticContact CH2-CZ3 3.92Å; W64-W153 HydrophobicContact CH2-CZ3 3.92Å; W64-W153 AromaticContact CZ3-CE3 3.95Å; W64-W153 HydrophobicContact CZ3-CE3 3.95Å; W64-W153 AromaticContact CZ3-CZ3 3.75Å; W64-W153 HydrophobicContact CZ3-CZ3 3.75Å |
| 65 | K | 73.1 | Confident | 69.9 | Low | 38 Ų | 38 | 60.6 Ų | 60.6 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 172.6 | -73.2 | -179 | 177.5 | -169.3 | 0 | 111.9 | R61 S62 S68 L69 Y124 W153 | R61-K65 WeakPolarHBondContact O-CG 3.34Å; R61-K65 PolarHBondContact O-N 3.41Å; R61-K65 VanDerWaalsContact O-N 3.11Å; S62-K65 PolarHBondContact O-N 3.12Å; K65-S68 PolarHBondContact O-N 3.29Å; K65-L69 WeakPolarHBondContact O-CG 3.38Å; K65-L69 PolarHBondContact O-N 3.15Å; K65-Y124 HydrophobicContact CB-CE2 4.36Å; K65-W153 HydrophobicContact CD-CZ2 4.45Å; K65-W153 VanDerWaalsContact CE-CZ2 3.44Å; K65-W153 HydrophobicContact CG-CD2 4.41Å |
| 66 | H | 72.2 | Confident | 69 | Low | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.023 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -48 | 174.6 | -163.4 | 70.8 | 0 | 0 | 0 | 111.2 | S62 E63 W64 S68 L69 W70 R98 F101 Y124 | S62-H66 WeakPolarHBondContact O-CB 3.3Å; S62-H66 PolarHBondContact O-N 3.31Å; E63-H66 WeakPolarHBondContact O-CB 3.4Å; E63-H66 PolarHBondContact O-N 3.07Å; W64-H66 VanDerWaalsContact C-N 3.32Å; W64-H66 PolarHBondContact O-N 3.26Å; H66-S68 VanDerWaalsContact C-N 3.34Å; H66-S68 PolarHBondContact O-N 3.42Å; H66-L69 PolarHBondContact O-N 2.93Å; H66-W70 AromaticContact CD2-CD1 3.58Å; H66-W70 AromaticContact CD2-NE1 3.58Å; H66-W70 AromaticContact CE1-NE1 3.65Å; H66-W70 AromaticContact NE2-CD1 3.39Å; H66-W70 AromaticContact NE2-NE1 2.91Å; H66-W70 PolarHBondContact NE2-NE1 3.39Å; H66-W70 PolarHBondContact O-N 3.45Å; H66-R98 PolarHBondContact CE1-O 3.47Å; H66-R98 PolarHBondContact NE2-O 3.46Å; H66-F101 AromaticContact CE1-CZ 3.58Å; H66-F101 AromaticContact ND1-CZ 3.98Å; H66-Y124 WeakPolarHBondContact CA-OH 3.4Å; H66-Y124 WeakPolarHBondContact CB-OH 3.03Å; H66-Y124 PolarHBondContact ND1-OH 2.97Å; H66-Y124 VanDerWaalsContact ND1-OH 3.13Å |
| 67 | A | 69.4 | Low | 67.7 | Low | 33 Ų | 33 | 56.2 Ų | 56.2 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | E63 W64 L69 W70 E71 | E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.01Å; W64-A67 PolarHBondContact O-N 3.37Å; A67-L69 VanDerWaalsContact C-N 3.35Å; A67-L69 PolarHBondContact O-N 3.17Å; A67-W70 CarbonylContact O-C 3.44Å; A67-W70 WeakPolarHBondContact O-CB 3.5Å; A67-W70 PolarHBondContact O-N 3.26Å; A67-W70 VanDerWaalsContact O-N 3.15Å; A67-E71 WeakPolarHBondContact O-CG 3.49Å; A67-E71 PolarHBondContact O-N 2.89Å |
| 68 | S | 69.1 | Low | 66.1 | Low | 30 Ų | 30 | 60.8 Ų | 60.8 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | 175.8 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | W64 K65 H66 E71 S72 | W64-S68 WeakPolarHBondContact O-CB 3.29Å; W64-S68 PolarHBondContact O-N 3.16Å; K65-S68 PolarHBondContact O-N 3.29Å; H66-S68 VanDerWaalsContact C-N 3.34Å; H66-S68 PolarHBondContact O-N 3.42Å; S68-E71 PolarHBondContact O-N 3.36Å; S68-S72 WeakPolarHBondContact O-CB 3.22Å; S68-S72 PolarHBondContact O-N 3.47Å |
| 69 | L | 73.7 | Confident | 64.4 | Low | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.1 | -69.1 | 164.4 | 0 | 0 | 0 | 111.8 | K65 H66 A67 S72 I73 F101 Y124 L149 W153 I155 | K65-L69 WeakPolarHBondContact O-CG 3.38Å; K65-L69 PolarHBondContact O-N 3.15Å; H66-L69 PolarHBondContact O-N 2.93Å; A67-L69 VanDerWaalsContact C-N 3.35Å; A67-L69 PolarHBondContact O-N 3.17Å; L69-S72 PolarHBondContact O-N 3.11Å; L69-S72 PolarHBondContact O-OG 2.95Å; L69-I73 PolarHBondContact O-N 3.17Å; L69-F101 HydrophobicContact CB-CZ 4.03Å; L69-F101 HydrophobicContact CD1-CE2 4.32Å; L69-F101 HydrophobicContact CD1-CZ 4.4Å; L69-Y124 HydrophobicContact CD1-CD1 3.87Å; L69-Y124 HydrophobicContact CD1-CD2 3.81Å; L69-Y124 HydrophobicContact CD1-CE1 3.56Å; L69-Y124 HydrophobicContact CD1-CE2 3.53Å; L69-Y124 HydrophobicContact CD1-CG 3.99Å; L69-Y124 VanDerWaalsContact CD1-CZ 3.4Å; L69-L149 HydrophobicContact CD2-CD1 3.79Å; L69-L149 HydrophobicContact CD2-CG 4.5Å; L69-W153 WeakPolarHBondContact CD2-O 3.42Å; L69-I155 HydrophobicContact CB-CD1 4.1Å; L69-I155 HydrophobicContact CD2-CD1 4.06Å; L69-I155 HydrophobicContact CD2-CG1 3.71Å |
| 70 | W | 69.1 | Low | 63.2 | Low | 39 Ų | 39 | 61 Ų | 61 | 15% | 0.148 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | 173.2 | -85 | 88.6 | 0 | 0 | 0 | 112.6 | H66 A67 S72 I73 L74 L96 F101 | H66-W70 AromaticContact CD2-CD1 3.58Å; H66-W70 AromaticContact CD2-NE1 3.58Å; H66-W70 AromaticContact CE1-NE1 3.65Å; H66-W70 AromaticContact NE2-CD1 3.39Å; H66-W70 AromaticContact NE2-NE1 2.91Å; H66-W70 PolarHBondContact NE2-NE1 3.39Å; H66-W70 PolarHBondContact O-N 3.45Å; A67-W70 CarbonylContact O-C 3.44Å; A67-W70 WeakPolarHBondContact O-CB 3.5Å; A67-W70 PolarHBondContact O-N 3.26Å; A67-W70 VanDerWaalsContact O-N 3.15Å; W70-S72 VanDerWaalsContact C-N 3.3Å; W70-S72 PolarHBondContact O-N 3.4Å; W70-I73 PolarHBondContact O-N 3.29Å; W70-I73 VanDerWaalsContact O-N 3.15Å; W70-L74 WeakPolarHBondContact O-CG 3.5Å; W70-L74 PolarHBondContact O-N 2.89Å; W70-L96 HydrophobicContact CE3-CD1 4.4Å; W70-L96 HydrophobicContact CH2-CB 3.8Å; W70-L96 HydrophobicContact CH2-CD1 3.76Å; W70-L96 HydrophobicContact CH2-CG 4.25Å; W70-L96 HydrophobicContact CZ2-CB 4.14Å; W70-L96 HydrophobicContact CZ3-CD1 3.64Å; W70-F101 AromaticContact NE1-CE1 3.88Å |
| 71 | E | 65.7 | Low | 61.5 | Low | 133 Ų | 133 | 67 Ų | 67 | 62% | 0.621 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.8 | -36.9 | 174.7 | -73.8 | 179 | 169.9 | 0 | 0 | 111.3 | A67 S68 I73 L74 A75 | A67-E71 WeakPolarHBondContact O-CG 3.49Å; A67-E71 PolarHBondContact O-N 2.89Å; S68-E71 PolarHBondContact O-N 3.36Å; E71-I73 VanDerWaalsContact C-N 3.25Å; E71-I73 PolarHBondContact O-N 2.89Å; E71-L74 PolarHBondContact O-N 3.42Å; E71-L74 VanDerWaalsContact O-N 3.09Å; E71-A75 PolarHBondContact O-N 2.85Å |
| 72 | S | 66.4 | Low | 60.2 | Low | 20 Ų | 20 | 61.1 Ų | 61.1 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -32 | 173.8 | 85.1 | 0 | 0 | 0 | 0 | 112.9 | S68 L69 W70 I76 I155 | S68-S72 WeakPolarHBondContact O-CB 3.22Å; S68-S72 PolarHBondContact O-N 3.47Å; L69-S72 PolarHBondContact O-N 3.11Å; L69-S72 PolarHBondContact O-OG 2.95Å; W70-S72 VanDerWaalsContact C-N 3.3Å; W70-S72 PolarHBondContact O-N 3.4Å; S72-I76 WeakPolarHBondContact O-CG1 3.35Å; S72-I155 PolarHBondContact OG-N 2.93Å |
| 73 | I | 65.3 | Low | 58.9 | Low | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -78 | -39 | 172.2 | -66.2 | 168.5 | 0 | 0 | 0 | 110.8 | L13 L69 W70 E71 I76 L94 L96 F101 I155 | L13-I73 HydrophobicContact CD1-CG2 4.21Å; L69-I73 PolarHBondContact O-N 3.17Å; W70-I73 PolarHBondContact O-N 3.29Å; W70-I73 VanDerWaalsContact O-N 3.15Å; E71-I73 VanDerWaalsContact C-N 3.25Å; E71-I73 PolarHBondContact O-N 2.89Å; I73-I76 VanDerWaalsContact O-CB 3.27Å; I73-I76 WeakPolarHBondContact O-CB 3.39Å; I73-I76 WeakPolarHBondContact O-CG1 3.43Å; I73-I76 PolarHBondContact O-N 3.01Å; I73-L94 HydrophobicContact CD1-CD2 4.33Å; I73-L94 HydrophobicContact CG2-CD2 3.92Å; I73-L96 HydrophobicContact CD1-CD2 3.94Å; I73-F101 HydrophobicContact CD1-CD1 3.9Å; I73-F101 HydrophobicContact CD1-CE1 4.15Å; I73-I155 HydrophobicContact CD1-CD1 3.71Å; I73-I155 HydrophobicContact CG1-CB 4.46Å; I73-I155 HydrophobicContact CG1-CD1 4.24Å |
| 74 | L | 61 | Low | 58.1 | Low | 100 Ų | 100 | 73.7 Ų | 73.7 | 52% | 0.524 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.5 | -28.9 | -176.9 | -70.9 | 173.2 | 0 | 0 | 0 | 113.6 | W70 E71 I76 C77 | W70-L74 WeakPolarHBondContact O-CG 3.5Å; W70-L74 PolarHBondContact O-N 2.89Å; E71-L74 PolarHBondContact O-N 3.42Å; E71-L74 VanDerWaalsContact O-N 3.09Å; L74-I76 PolarHBondContact O-N 3.32Å; L74-C77 WeakPolarHBondContact O-CB 3.48Å; L74-C77 PolarHBondContact O-N 2.77Å |
| 75 | A | 56.4 | Low | 57.5 | Low | 78 Ų | 78 | 70.4 Ų | 70.4 | 65% | 0.645 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -59.3 | -27.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E71 C77 | E71-A75 PolarHBondContact O-N 2.85Å; A75-C77 VanDerWaalsContact C-N 3.25Å; A75-C77 PolarHBondContact O-N 3.13Å |
| 76 | I | 54.4 | Low | 56.7 | Low | 17 Ų | 17 | 75 Ų | 75 | 9% | 0.087 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -74.7 | -16 | 177.4 | -46.4 | 171.1 | 0 | 0 | 0 | 112.1 | L13 T15 Y27 S72 I73 L74 E78 P156 | L13-I76 HydrophobicContact CB-CG2 4.04Å; T15-I76 HydrophobicContact CG2-CD1 4.04Å; T15-I76 HydrophobicContact CG2-CG1 4.11Å; T15-I76 HydrophobicContact CG2-CG2 3.81Å; T15-I76 VanDerWaalsContact N-CG2 3.33Å; Y27-I76 HydrophobicContact CD2-CD1 4.16Å; Y27-I76 HydrophobicContact CD2-CG2 3.94Å; Y27-I76 HydrophobicContact CE2-CD1 3.41Å; Y27-I76 VanDerWaalsContact CE2-CD1 3.41Å; Y27-I76 HydrophobicContact CE2-CG2 3.89Å; S72-I76 WeakPolarHBondContact O-CG1 3.35Å; I73-I76 VanDerWaalsContact O-CB 3.27Å; I73-I76 WeakPolarHBondContact O-CB 3.39Å; I73-I76 WeakPolarHBondContact O-CG1 3.43Å; I73-I76 PolarHBondContact O-N 3.01Å; L74-I76 PolarHBondContact O-N 3.32Å; I76-E78 VanDerWaalsContact C-N 3.31Å; I76-E78 PolarHBondContact O-N 3.29Å; I76-P156 HydrophobicContact CD1-CB 4.24Å; I76-P156 HydrophobicContact CD1-CG 3.33Å; I76-P156 HydrophobicContact CG1-CG 4.05Å |
| 77 | C | 46.6 | Very low | 56.3 | Low | 47 Ų | 47 | 75.4 Ų | 75.4 | 32% | 0.318 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -80.2 | -7.2 | -175 | -59.3 | 0 | 0 | 0 | 0 | 114 | L13 L74 A75 S79 | L13-C77 VanDerWaalsContact CD1-SG 3.58Å; L13-C77 HydrophobicContact CD2-CB 4.14Å; L13-C77 WeakPolarHBondContact CD2-SG 3.34Å; L74-C77 WeakPolarHBondContact O-CB 3.48Å; L74-C77 PolarHBondContact O-N 2.77Å; A75-C77 VanDerWaalsContact C-N 3.25Å; A75-C77 PolarHBondContact O-N 3.13Å; C77-S79 PolarHBondContact O-N 2.98Å |
| 78 | E | 40.6 | Very low | 56.1 | Low | 165 Ų | 165 | 78 Ų | 78 | 77% | 0.771 | 41% | 0.412 | S | S | * | . | trans | -76.3 | 89 | -167.5 | -172.3 | 147.3 | -128.7 | 0 | 0 | 113 | I76 S80 | I76-E78 VanDerWaalsContact C-N 3.31Å; I76-E78 PolarHBondContact O-N 3.29Å; E78-S80 VanDerWaalsContact C-N 3.27Å; E78-S80 PolarHBondContact O-N 3.35Å | ||
| 79 | S | 39.9 | Very low | 56.1 | Low | 116 Ų | 116 | 76.5 Ų | 76.5 | 81% | 0.811 | 40% | 0.402 | S | S | * | . | trans | -67.2 | 79 | 172.1 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | C77 | C77-S79 PolarHBondContact O-N 2.98Š| ||
| 80 | S | 46 | Very low | 56 | Low | 37 Ų | 37 | 76.5 Ų | 76.5 | 26% | 0.259 | 40% | 0.402 | S | S | . | . | trans | -68.9 | 168.6 | 169.6 | 79.4 | 0 | 0 | 0 | 0 | 111.5 | E78 I178 | E78-S80 VanDerWaalsContact C-N 3.27Å; E78-S80 PolarHBondContact O-N 3.35Å; S80-I178 WeakPolarHBondContact OG-CG1 3.43Å | ||
| 81 | K | 37.3 | Very low | 56.2 | Low | 213 Ų | 213 | 76.8 Ų | 76.8 | 93% | 0.926 | 41% | 0.406 | S | S | * | . | trans | -106 | 66.4 | -178.8 | -66.8 | 174.9 | -172.6 | 158.2 | 0 | 111.2 | ||||
| 82 | G | 44.1 | Very low | 56.7 | Low | 25 Ų | 25 | 70.5 Ų | 70.5 | 26% | 0.258 | 38% | 0.377 | S | S | . | . | trans | -81.1 | 177.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V177 | G82-V177 WeakPolarHBondContact CA-O 3.29Š| ||
| 83 | E | 45.1 | Very low | 57.1 | Low | 157 Ų | 157 | 74.2 Ų | 74.2 | 73% | 0.734 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 150.7 | 165.5 | -64.3 | -163.3 | 133.1 | 0 | 0 | 110.3 | K85 C176 V177 | E83-K85 PolarHBondContact O-N 3.49Å; E83-C176 WeakPolarHBondContact O-CA 3.22Å; E83-V177 PolarHBondContact O-N 2.86Å |
| 84 | Q | 53.7 | Low | 57.6 | Low | 141 Ų | 141 | 74 Ų | 74 | 66% | 0.659 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 101.9 | 178.7 | -73.3 | -170.9 | -23.3 | 0 | 0 | 110.4 | N175 | Q84-N175 CarbonylContact C-O 3.6Å; Q84-N175 WeakPolarHBondContact CA-O 3.33Å |
| 85 | K | 57.5 | Low | 58.2 | Low | 81 Ų | 81 | 70.8 Ų | 70.8 | 35% | 0.352 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 145.6 | 170.1 | -158.8 | -174 | -177.1 | -169.6 | 0 | 109.3 | E20 E83 V87 N175 V177 | E20-K85 IonicContact OE1-NZ 3.68Å; E20-K85 PolarHBondContact OE1-NZ 2.84Å; E20-K85 IonicContact OE2-NZ 2.74Å; E20-K85 PolarHBondContact OE2-NZ 2.74Å; E83-K85 PolarHBondContact O-N 3.49Å; K85-V87 HydrophobicContact CB-CG2 4.4Å; K85-N175 PolarHBondContact N-O 3.16Å; K85-N175 PolarHBondContact O-N 2.96Å; K85-N175 VanDerWaalsContact O-O 3.14Å; K85-V177 HydrophobicContact CB-CB 4.11Å; K85-V177 HydrophobicContact CB-CG2 3.72Å; K85-V177 HydrophobicContact CD-CG2 4.3Å |
| 86 | E | 57.1 | Low | 58.7 | Low | 133 Ų | 133 | 67.4 Ų | 67.4 | 62% | 0.621 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 124.9 | 170.1 | -168.4 | 168.3 | -176.8 | 0 | 0 | 109 | S172 L174 | E86-S172 WeakPolarHBondContact CG-OG 3.43Å; E86-S172 PolarHBondContact OE1-OG 3.29Å; E86-L174 HydrophobicContact CB-CD2 4.14Å; E86-L174 HydrophobicContact CG-CD2 4.48Å |
| 87 | V | 64.1 | Low | 59.4 | Low | 15 Ų | 15 | 71.7 Ų | 71.7 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142.6 | -176.6 | -164.2 | 0 | 0 | 0 | 0 | 111.3 | Q24 K85 A89 V173 N175 V177 | Q24-V87 VanDerWaalsContact CD-CG1 3.43Å; Q24-V87 HydrophobicContact CG-CG1 3.86Å; K85-V87 HydrophobicContact CB-CG2 4.4Å; V87-A89 PolarHBondContact O-N 2.85Å; V87-V173 PolarHBondContact N-O 3.4Å; V87-V173 PolarHBondContact O-N 2.77Å; V87-N175 HydrophobicContact CB-CB 4.47Å; V87-N175 HydrophobicContact CG2-CB 3.96Å; V87-V177 HydrophobicContact CG2-CG2 3.56Å |
| 88 | N | 65.3 | Low | 60.3 | Low | 86 Ų | 86 | 74.1 Ų | 74.1 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.4 | 174.1 | -76.5 | -23.2 | 0 | 0 | 0 | 110.8 | Q24 I170 | Q24-N88 PolarHBondContact N-O 3.44Å; N88-I170 HydrophobicContact CB-CG2 3.45Å; N88-I170 VanDerWaalsContact CB-CG2 3.45Å |
| 89 | A | 68.7 | Low | 61.5 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 143 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L14 Q24 Q26 V87 N171 V173 | L14-A89 HydrophobicContact CD1-CB 3.83Å; Q24-A89 HydrophobicContact CB-CB 3.99Å; Q24-A89 CarbonylContact O-C 3.59Å; Q24-A89 WeakPolarHBondContact O-CA 3.13Å; Q26-A89 HydrophobicContact CB-CB 4.38Å; V87-A89 PolarHBondContact O-N 2.85Å; A89-N171 PolarHBondContact N-O 3.31Å; A89-N171 PolarHBondContact O-N 3.41Å; A89-N171 VanDerWaalsContact O-O 3.08Å; A89-V173 HydrophobicContact CB-CB 4.24Å; A89-V173 HydrophobicContact CB-CG2 3.9Å |
| 90 | V | 71.8 | Confident | 63.3 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 125.2 | 168.7 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | I23 Q24 Q26 M92 F105 I163 C168 | I23-V90 HydrophobicContact CG2-CG2 3.71Å; Q24-V90 PolarHBondContact O-N 3.49Å; Q26-V90 PolarHBondContact N-O 2.87Å; V90-M92 HydrophobicContact CB-CE 4.31Å; V90-M92 HydrophobicContact CG1-CE 4.04Å; V90-M92 HydrophobicContact CG1-CG 4.2Å; V90-M92 PolarHBondContact O-N 3.07Å; V90-F105 HydrophobicContact CG1-CB 3.96Å; V90-I163 HydrophobicContact CG2-CD1 4.31Å; V90-I163 HydrophobicContact CG2-CG1 4.29Å; V90-I163 HydrophobicContact CG2-CG2 4.07Å; V90-C168 HydrophobicContact CB-CB 4.37Å; V90-C168 HydrophobicContact CG1-CB 3.94Å; V90-C168 HydrophobicContact CG2-CB 3.44Å; V90-C168 VanDerWaalsContact CG2-CB 3.44Å |
| 91 | D | 72.9 | Confident | 65 | Low | 44 Ų | 44 | 64.6 Ų | 64.6 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 124.2 | 169.5 | -102.4 | -68 | 0 | 0 | 0 | 110 | Q28 N171 | Q28-D91 PolarHBondContact NE2-OD1 3.37Å; D91-N171 PolarHBondContact OD2-ND2 2.97Å |
| 92 | M | 76.4 | Confident | 67.1 | Low | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.1 | 178.7 | -58.6 | -163 | 169.3 | 0 | 0 | 110.2 | Q25 Q26 Y27 Q28 V90 L103 Q104 F105 L159 I163 | Q25-M92 HydrophobicContact CB-CE 4.23Å; Q25-M92 HydrophobicContact CB-SD 4.16Å; Q25-M92 HydrophobicContact CG-CE 4.06Å; Q26-M92 PolarHBondContact O-N 3.13Å; Y27-M92 CarbonylContact C-O 3.58Å; Y27-M92 VanDerWaalsContact CA-O 3.31Å; Y27-M92 WeakPolarHBondContact CA-O 3.47Å; Y27-M92 HydrophobicContact CD1-CB 4.11Å; Y27-M92 HydrophobicContact CD1-SD 4.35Å; Y27-M92 HydrophobicContact CE1-SD 3.89Å; Q28-M92 PolarHBondContact N-O 2.69Å; V90-M92 HydrophobicContact CB-CE 4.31Å; V90-M92 HydrophobicContact CG1-CE 4.04Å; V90-M92 HydrophobicContact CG1-CG 4.2Å; V90-M92 PolarHBondContact O-N 3.07Å; M92-L103 HydrophobicContact SD-CD2 4.4Å; M92-Q104 CarbonylContact C-O 3.59Å; M92-Q104 VanDerWaalsContact CA-O 3.31Å; M92-Q104 WeakPolarHBondContact CA-O 3.22Å; M92-F105 HydrophobicContact CG-CB 4.1Å; M92-L159 HydrophobicContact CE-CB 4.44Å; M92-L159 HydrophobicContact CE-CD1 4.41Å; M92-L159 HydrophobicContact CE-CD2 3.94Å; M92-L159 HydrophobicContact SD-CD1 3.89Å; M92-L159 HydrophobicContact SD-CD2 4.12Å; M92-I163 HydrophobicContact CE-CD1 3.61Å; M92-I163 HydrophobicContact CE-CG1 3.96Å |
| 93 | Q | 75.8 | Confident | 69 | Low | 97 Ų | 97 | 55.3 Ų | 55.3 | 45% | 0.453 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 122.9 | 166 | -175.3 | 171.7 | 1.7 | 0 | 0 | 109.3 | Q104 | Q93-Q104 HydrophobicContact CB-CB 4.36Å; Q93-Q104 PolarHBondContact N-O 3.34Å; Q93-Q104 PolarHBondContact O-N 3.15Å |
| 94 | L | 74.7 | Confident | 70.8 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.5 | -176.7 | 173.2 | 54.6 | 0 | 0 | 0 | 110.6 | Y27 Q28 V29 I73 L96 F102 L103 | Y27-L94 HydrophobicContact CD1-CB 4.07Å; Y27-L94 HydrophobicContact CD1-CD2 3.73Å; Y27-L94 HydrophobicContact CD1-CG 4.49Å; Y27-L94 HydrophobicContact CE1-CD2 4.3Å; Y27-L94 HydrophobicContact CG-CD2 4.35Å; Q28-L94 PolarHBondContact O-N 2.83Å; V29-L94 HydrophobicContact CG2-CB 4.07Å; V29-L94 HydrophobicContact CG2-CD2 3.98Å; V29-L94 HydrophobicContact CG2-CG 4.13Å; I73-L94 HydrophobicContact CD1-CD2 4.33Å; I73-L94 HydrophobicContact CG2-CD2 3.92Å; L94-L96 HydrophobicContact CD1-CD2 3.59Å; L94-L96 HydrophobicContact CD1-CG 4.08Å; L94-L96 HydrophobicContact CD2-CD2 4.19Å; L94-L96 HydrophobicContact CD2-CG 4.46Å; L94-L96 HydrophobicContact CG-CD1 4.48Å; L94-L96 HydrophobicContact CG-CD2 3.96Å; L94-L96 HydrophobicContact CG-CG 4.02Å; L94-F102 WeakPolarHBondContact CA-O 3.19Å; L94-L103 HydrophobicContact CB-CD2 4.28Å; L94-L103 HydrophobicContact CD1-CD2 3.76Å; L94-L103 HydrophobicContact CD1-CG 3.96Å; L94-L103 HydrophobicContact CG-CD2 4.43Å |
| 95 | V | 73.2 | Confident | 72.3 | Confident | 31 Ų | 31 | 44.3 Ų | 44.3 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.7 | 172.6 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | M33 F102 | M33-V95 HydrophobicContact CB-CG1 4.43Å; M33-V95 HydrophobicContact CG-CG1 4.47Å; V95-F102 HydrophobicContact CB-CB 4.27Å; V95-F102 PolarHBondContact N-O 3.37Å; V95-F102 PolarHBondContact O-N 3.05Å |
| 96 | L | 68.1 | Low | 73.4 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 142 | -175.3 | -60.7 | 167.7 | 0 | 0 | 0 | 109.9 | V29 L34 W70 I73 L94 F101 | V29-L96 HydrophobicContact CG1-CD1 4.45Å; L34-L96 HydrophobicContact CD2-CB 4Å; L34-L96 HydrophobicContact CD2-CD1 4.23Å; W70-L96 HydrophobicContact CE3-CD1 4.4Å; W70-L96 HydrophobicContact CH2-CB 3.8Å; W70-L96 HydrophobicContact CH2-CD1 3.76Å; W70-L96 HydrophobicContact CH2-CG 4.25Å; W70-L96 HydrophobicContact CZ2-CB 4.14Å; W70-L96 HydrophobicContact CZ3-CD1 3.64Å; I73-L96 HydrophobicContact CD1-CD2 3.94Å; L94-L96 HydrophobicContact CD1-CD2 3.59Å; L94-L96 HydrophobicContact CD1-CG 4.08Å; L94-L96 HydrophobicContact CD2-CD2 4.19Å; L94-L96 HydrophobicContact CD2-CG 4.46Å; L94-L96 HydrophobicContact CG-CD1 4.48Å; L94-L96 HydrophobicContact CG-CD2 3.96Å; L94-L96 HydrophobicContact CG-CG 4.02Å; L96-F101 HydrophobicContact CD2-CD1 3.59Å; L96-F101 HydrophobicContact CD2-CE1 4.3Å |
| 97 | R | 69.3 | Low | 74.5 | Confident | 107 Ų | 107 | 37.9 Ų | 37.9 | 40% | 0.404 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 159.9 | 170.9 | -52.7 | -179.6 | -174.1 | 164.7 | 2.7 | 108.6 | T99 E100 F102 | R97-T99 VanDerWaalsContact C-N 3.26Å; R97-T99 PolarHBondContact O-N 3.24Å; R97-T99 VanDerWaalsContact O-N 3.11Å; R97-E100 HydrophobicContact CB-CB 4.31Å; R97-E100 WeakPolarHBondContact CB-O 3.37Å; R97-E100 WeakPolarHBondContact CD-OE2 3.42Å; R97-E100 IonicContact CZ-OE2 4Å; R97-E100 PolarHBondContact N-O 3.1Å; R97-E100 IonicContact NE-OE2 3.67Å; R97-E100 IonicContact NH1-OE2 2.9Å; R97-E100 PolarHBondContact NH1-OE2 3.32Å; R97-E100 PolarHBondContact O-N 3.3Å; R97-E100 VanDerWaalsContact O-O 3.1Å; R97-F102 VanDerWaalsContact CZ-CE2 3.43Å |
| 98 | R | 64.5 | Low | 74.9 | Confident | 97 Ų | 97 | 41.9 Ų | 41.9 | 37% | 0.366 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -41.9 | -179.4 | -165.7 | 177.5 | 177.2 | 133.3 | 8.5 | 115.1 | D38 E63 H66 | D38-R98 WeakPolarHBondContact O-CB 3.44Å; E63-R98 IonicContact OE1-CZ 2.69Å; E63-R98 IonicContact OE1-NH2 2.76Å; E63-R98 PolarHBondContact OE1-NH2 2.84Å; H66-R98 PolarHBondContact CE1-O 3.47Å; H66-R98 PolarHBondContact NE2-O 3.46Å |
| 99 | T | 66.6 | Low | 75.1 | Confident | 78 Ų | 78 | 45.3 Ų | 45.3 | 48% | 0.479 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 1 | -173.5 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | R97 F117 E118 | R97-T99 VanDerWaalsContact C-N 3.26Å; R97-T99 PolarHBondContact O-N 3.24Å; R97-T99 VanDerWaalsContact O-N 3.11Å; T99-F117 VanDerWaalsContact O-CA 3.3Å; T99-F117 WeakPolarHBondContact O-CA 3.36Å; T99-E118 PolarHBondContact O-N 2.83Å |
| 100 | E | 77.1 | Confident | 75.4 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 19% | 0.192 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 128 | -170.6 | -53 | -179.4 | 106.9 | 0 | 0 | 111.8 | R97 F102 Q115 I116 F117 | R97-E100 HydrophobicContact CB-CB 4.31Å; R97-E100 WeakPolarHBondContact CB-O 3.37Å; R97-E100 WeakPolarHBondContact CD-OE2 3.42Å; R97-E100 IonicContact CZ-OE2 4Å; R97-E100 PolarHBondContact N-O 3.1Å; R97-E100 IonicContact NE-OE2 3.67Å; R97-E100 IonicContact NH1-OE2 2.9Å; R97-E100 PolarHBondContact NH1-OE2 3.32Å; R97-E100 PolarHBondContact O-N 3.3Å; R97-E100 VanDerWaalsContact O-O 3.1Å; E100-F102 HydrophobicContact CB-CD2 4.08Å; E100-F102 HydrophobicContact CB-CE2 3.47Å; E100-F102 VanDerWaalsContact CB-CE2 3.47Å; E100-F102 HydrophobicContact CB-CZ 4.21Å; E100-F102 HydrophobicContact CG-CE2 4.15Å; E100-F102 WeakPolarHBondContact OE1-CZ 3.21Å; E100-F102 WeakPolarHBondContact OE2-CE2 3.38Å; E100-Q115 PolarHBondContact OE1-NE2 2.91Å; E100-I116 CarbonylContact C-O 3.59Å; E100-I116 VanDerWaalsContact CA-O 3.27Å; E100-I116 WeakPolarHBondContact CA-O 3.49Å; E100-F117 HydrophobicContact CG-CB 4.17Å |
| 101 | F | 82 | Confident | 75.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.4 | 168.2 | -44.1 | -105.8 | 0 | 0 | 0 | 107.8 | H66 L69 W70 I73 L96 I116 Y124 I155 | H66-F101 AromaticContact CE1-CZ 3.58Å; H66-F101 AromaticContact ND1-CZ 3.98Å; L69-F101 HydrophobicContact CB-CZ 4.03Å; L69-F101 HydrophobicContact CD1-CE2 4.32Å; L69-F101 HydrophobicContact CD1-CZ 4.4Å; W70-F101 AromaticContact NE1-CE1 3.88Å; I73-F101 HydrophobicContact CD1-CD1 3.9Å; I73-F101 HydrophobicContact CD1-CE1 4.15Å; L96-F101 HydrophobicContact CD2-CD1 3.59Å; L96-F101 HydrophobicContact CD2-CE1 4.3Å; F101-I116 HydrophobicContact CB-CB 4.12Å; F101-I116 HydrophobicContact CD2-CB 4Å; F101-I116 HydrophobicContact CD2-CG2 3.94Å; F101-I116 HydrophobicContact CG-CB 4.49Å; F101-I116 PolarHBondContact N-O 3.02Å; F101-I116 PolarHBondContact O-N 3.35Å; F101-Y124 HydrophobicContact CE2-CE1 4.19Å; F101-I155 HydrophobicContact CD1-CD1 3.8Å; F101-I155 HydrophobicContact CD2-CD1 4.29Å; F101-I155 HydrophobicContact CE1-CD1 3.97Å; F101-I155 HydrophobicContact CE2-CD1 4.43Å; F101-I155 HydrophobicContact CG-CD1 3.99Å; F101-I155 HydrophobicContact CZ-CD1 4.28Å |
| 102 | F | 81.3 | Confident | 76.4 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 18% | 0.18 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125 | 175.7 | -68.4 | -93.9 | 0 | 0 | 0 | 110.1 | L94 V95 R97 E100 Q115 | L94-F102 WeakPolarHBondContact CA-O 3.19Å; V95-F102 HydrophobicContact CB-CB 4.27Å; V95-F102 PolarHBondContact N-O 3.37Å; V95-F102 PolarHBondContact O-N 3.05Å; R97-F102 VanDerWaalsContact CZ-CE2 3.43Å; E100-F102 HydrophobicContact CB-CD2 4.08Å; E100-F102 HydrophobicContact CB-CE2 3.47Å; E100-F102 VanDerWaalsContact CB-CE2 3.47Å; E100-F102 HydrophobicContact CB-CZ 4.21Å; E100-F102 HydrophobicContact CG-CE2 4.15Å; E100-F102 WeakPolarHBondContact OE1-CZ 3.21Å; E100-F102 WeakPolarHBondContact OE2-CE2 3.38Å; F102-Q115 HydrophobicContact CD1-CB 4.1Å; F102-Q115 HydrophobicContact CD1-CG 4.04Å; F102-Q115 HydrophobicContact CE1-CB 3.97Å; F102-Q115 HydrophobicContact CE1-CG 3.54Å; F102-Q115 HydrophobicContact CZ-CG 3.87Å |
| 103 | L | 84.7 | Confident | 76.9 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 109.6 | -177.7 | -75.4 | 148.9 | 0 | 0 | 0 | 108.6 | Y27 M92 L94 T113 M114 I116 I155 L159 | Y27-L103 HydrophobicContact CD1-CD2 3.95Å; Y27-L103 HydrophobicContact CE1-CD2 3.61Å; M92-L103 HydrophobicContact SD-CD2 4.4Å; L94-L103 HydrophobicContact CB-CD2 4.28Å; L94-L103 HydrophobicContact CD1-CD2 3.76Å; L94-L103 HydrophobicContact CD1-CG 3.96Å; L94-L103 HydrophobicContact CG-CD2 4.43Å; L103-T113 CarbonylContact O-C 3.57Å; L103-T113 WeakPolarHBondContact O-CA 3.13Å; L103-M114 HydrophobicContact CB-CB 4.33Å; L103-M114 HydrophobicContact CB-CE 4.38Å; L103-M114 HydrophobicContact CD1-CE 3.48Å; L103-M114 VanDerWaalsContact CD1-CE 3.48Å; L103-M114 PolarHBondContact N-O 3.27Å; L103-M114 PolarHBondContact O-N 3.49Å; L103-I116 HydrophobicContact CD1-CD1 4.02Å; L103-I155 HydrophobicContact CD1-CG2 3.85Å; L103-L159 HydrophobicContact CD1-CD1 4.04Å; L103-L159 HydrophobicContact CD1-CD2 4.3Å; L103-L159 HydrophobicContact CD1-CG 4.46Å; L103-L159 HydrophobicContact CD2-CD1 4.04Å |
| 104 | Q | 82.9 | Confident | 77.5 | Confident | 64 Ų | 64 | 41.2 Ų | 41.2 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.2 | 174.6 | 177.3 | 179.4 | -20 | 0 | 0 | 109.9 | M92 Q93 S111 M112 | M92-Q104 CarbonylContact C-O 3.59Å; M92-Q104 VanDerWaalsContact CA-O 3.31Å; M92-Q104 WeakPolarHBondContact CA-O 3.22Å; Q93-Q104 HydrophobicContact CB-CB 4.36Å; Q93-Q104 PolarHBondContact N-O 3.34Å; Q93-Q104 PolarHBondContact O-N 3.15Å; Q104-S111 PolarHBondContact NE2-OG 3.28Å; Q104-M112 CarbonylContact C-O 3.56Å; Q104-M112 VanDerWaalsContact CA-O 3.27Å; Q104-M112 WeakPolarHBondContact CA-O 3.44Å |
| 105 | F | 84.2 | Confident | 78.2 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 150 | -179.2 | 56.7 | -93.3 | 0 | 0 | 0 | 111 | V90 M92 T107 M112 M114 L159 L166 C168 | V90-F105 HydrophobicContact CG1-CB 3.96Å; M92-F105 HydrophobicContact CG-CB 4.1Å; F105-T107 HydrophobicContact CD2-CG2 4.05Å; F105-T107 HydrophobicContact CE2-CG2 3.88Å; F105-M112 HydrophobicContact CD2-CB 4.03Å; F105-M112 HydrophobicContact CE1-CG 4.48Å; F105-M112 HydrophobicContact CE2-CB 3.71Å; F105-M112 HydrophobicContact CE2-CG 3.86Å; F105-M112 HydrophobicContact CZ-CB 4.02Å; F105-M112 HydrophobicContact CZ-CG 3.77Å; F105-M112 PolarHBondContact N-O 3.27Å; F105-M112 WeakPolarHBondContact O-CB 3.47Å; F105-M112 PolarHBondContact O-N 2.84Å; F105-M114 HydrophobicContact CE1-CB 4.03Å; F105-L159 HydrophobicContact CE1-CD2 4.5Å; F105-L166 HydrophobicContact CE2-CD1 3.69Å; F105-L166 HydrophobicContact CZ-CD1 3.63Å; F105-C168 VanDerWaalsContact CD2-SG 3.57Å |
| 106 | D | 80.9 | Confident | 78.9 | Confident | 76 Ų | 76 | 42 Ų | 42 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 140.5 | -180 | -83.2 | -25.3 | 0 | 0 | 0 | 112.4 | S111 C168 R169 | D106-S111 WeakPolarHBondContact OD1-CA 3.37Å; D106-S111 WeakPolarHBondContact OD1-CB 3.48Å; D106-C168 CarbonylContact O-C 3.56Å; D106-C168 WeakPolarHBondContact O-CA 3.47Å; D106-R169 HydrophobicContact CB-CB 4.21Å; D106-R169 HydrophobicContact CB-CG 4.34Å; D106-R169 PolarHBondContact O-N 2.94Å |
| 107 | T | 80.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 166.2 | 171 | 68.9 | 0 | 0 | 0 | 0 | 110.7 | F105 Y109 G110 M112 L166 K167 R169 | F105-T107 HydrophobicContact CD2-CG2 4.05Å; F105-T107 HydrophobicContact CE2-CG2 3.88Å; T107-Y109 PolarHBondContact O-N 2.76Å; T107-Y109 PolarHBondContact OG1-N 3.14Å; T107-G110 PolarHBondContact N-O 3.29Å; T107-G110 PolarHBondContact O-N 2.88Å; T107-G110 PolarHBondContact OG1-N 3.13Å; T107-G110 VanDerWaalsContact OG1-N 3.13Å; T107-G110 PolarHBondContact OG1-O 3.38Å; T107-M112 HydrophobicContact CG2-CB 4.01Å; T107-L166 HydrophobicContact CG2-CB 4.11Å; T107-K167 WeakPolarHBondContact CA-O 3.49Å; T107-R169 PolarHBondContact O-NE 3.05Å; T107-R169 VanDerWaalsContact O-NE 3.09Å; T107-R169 PolarHBondContact O-NH2 3.46Å |
| 108 | D | 73.1 | Confident | 80.5 | Confident | 99 Ų | 99 | 40.8 Ų | 40.8 | 53% | 0.529 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -36.1 | 170.1 | -78.9 | -18.7 | 0 | 0 | 0 | 111.9 | K167 R169 | D108-K167 PolarHBondContact N-O 2.84Å; D108-R169 PolarHBondContact O-NH2 2.59Å |
| 109 | Y | 68.5 | Low | 81.4 | Confident | 158 Ų | 158 | 43.3 Ų | 43.3 | 62% | 0.62 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8.7 | -179.8 | -52.9 | -74.5 | 0 | 0 | 0 | 114.5 | T107 K167 | T107-Y109 PolarHBondContact O-N 2.76Å; T107-Y109 PolarHBondContact OG1-N 3.14Å; Y109-K167 HydrophobicContact CE2-CB 4.35Å; Y109-K167 HydrophobicContact CE2-CD 4.12Å; Y109-K167 PolarHBondContact OH-NZ 3.4Å; Y109-K167 VanDerWaalsContact OH-NZ 3.11Å |
| 110 | G | 74.7 | Confident | 81.9 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 6% | 0.062 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.7 | -178.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | T107 M112 | T107-G110 PolarHBondContact N-O 3.29Å; T107-G110 PolarHBondContact O-N 2.88Å; T107-G110 PolarHBondContact OG1-N 3.13Å; T107-G110 VanDerWaalsContact OG1-N 3.13Å; T107-G110 PolarHBondContact OG1-O 3.38Å; G110-M112 PolarHBondContact O-N 3.18Å |
| 111 | S | 83.1 | Confident | 81.6 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 12% | 0.119 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 123.4 | 171.9 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | Q104 D106 Q131 | Q104-S111 PolarHBondContact NE2-OG 3.28Å; D106-S111 WeakPolarHBondContact OD1-CA 3.37Å; D106-S111 WeakPolarHBondContact OD1-CB 3.48Å; S111-Q131 WeakPolarHBondContact O-CB 3.31Å; S111-Q131 PolarHBondContact O-N 3.3Å; S111-Q131 PolarHBondContact OG-OE1 2.89Å |
| 112 | M | 83.9 | Confident | 81 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 5% | 0.054 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.7 | -178.2 | -166.5 | 65.8 | 113.3 | 0 | 0 | 109.5 | Q104 F105 T107 G110 T128 T129 S130 P137 L166 | Q104-M112 CarbonylContact C-O 3.56Å; Q104-M112 VanDerWaalsContact CA-O 3.27Å; Q104-M112 WeakPolarHBondContact CA-O 3.44Å; F105-M112 HydrophobicContact CD2-CB 4.03Å; F105-M112 HydrophobicContact CE1-CG 4.48Å; F105-M112 HydrophobicContact CE2-CB 3.71Å; F105-M112 HydrophobicContact CE2-CG 3.86Å; F105-M112 HydrophobicContact CZ-CB 4.02Å; F105-M112 HydrophobicContact CZ-CG 3.77Å; F105-M112 PolarHBondContact N-O 3.27Å; F105-M112 WeakPolarHBondContact O-CB 3.47Å; F105-M112 PolarHBondContact O-N 2.84Å; T107-M112 HydrophobicContact CG2-CB 4.01Å; G110-M112 PolarHBondContact O-N 3.18Å; M112-T128 HydrophobicContact CE-CG2 3.9Å; M112-T128 HydrophobicContact CG-CG2 3.5Å; M112-T128 HydrophobicContact SD-CG2 3.72Å; M112-T129 VanDerWaalsContact SD-O 3.37Å; M112-S130 VanDerWaalsContact SD-CA 3.6Å; M112-S130 PolarHBondContact SD-N 3.07Å; M112-S130 VanDerWaalsContact SD-N 3.43Å; M112-P137 HydrophobicContact CE-CB 3.81Å; M112-P137 HydrophobicContact CE-CG 3.74Å; M112-L166 HydrophobicContact CE-CD1 4.17Å; M112-L166 HydrophobicContact CE-CD2 3.84Å; M112-L166 HydrophobicContact CG-CD1 4.37Å |
| 113 | T | 87.1 | Confident | 81 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 14% | 0.135 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 117.5 | 177.3 | -55 | 0 | 0 | 0 | 0 | 110.2 | L103 T128 T129 Q131 | L103-T113 CarbonylContact O-C 3.57Å; L103-T113 WeakPolarHBondContact O-CA 3.13Å; T113-T128 CarbonylContact O-C 3.59Å; T113-T128 WeakPolarHBondContact O-CA 3.27Å; T113-T129 PolarHBondContact N-O 3.46Å; T113-T129 PolarHBondContact O-N 2.91Å; T113-T129 PolarHBondContact O-OG1 3.08Å; T113-Q131 WeakPolarHBondContact OG1-CG 3.32Å; T113-Q131 PolarHBondContact OG1-NE2 2.9Å |
| 114 | M | 88 | Confident | 81.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.5 | 172.7 | -167.6 | -177.8 | 73.2 | 0 | 0 | 109.6 | L103 F105 I116 V126 K127 T128 L145 L159 | L103-M114 HydrophobicContact CB-CB 4.33Å; L103-M114 HydrophobicContact CB-CE 4.38Å; L103-M114 HydrophobicContact CD1-CE 3.48Å; L103-M114 VanDerWaalsContact CD1-CE 3.48Å; L103-M114 PolarHBondContact N-O 3.27Å; L103-M114 PolarHBondContact O-N 3.49Å; F105-M114 HydrophobicContact CE1-CB 4.03Å; M114-I116 HydrophobicContact CE-CD1 3.9Å; M114-I116 HydrophobicContact CE-CG1 4.01Å; M114-V126 HydrophobicContact CG-CG1 3.43Å; M114-V126 VanDerWaalsContact CG-CG1 3.43Å; M114-V126 HydrophobicContact SD-CG1 3.52Å; M114-V126 VanDerWaalsContact SD-CG1 3.52Å; M114-K127 CarbonylContact C-O 3.5Å; M114-K127 VanDerWaalsContact CA-O 3.32Å; M114-K127 WeakPolarHBondContact CA-O 3.46Å; M114-T128 HydrophobicContact CB-CG2 4.45Å; M114-L145 HydrophobicContact SD-CD1 3.79Å; M114-L159 HydrophobicContact CE-CD2 3.44Å; M114-L159 VanDerWaalsContact CE-CD2 3.44Å; M114-L159 HydrophobicContact CE-CG 3.95Å; M114-L159 HydrophobicContact SD-CD2 4.27Å |
| 115 | Q | 89.2 | Confident | 81.4 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 23% | 0.229 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 115.6 | 173 | -178.2 | -173.9 | 18.5 | 0 | 0 | 108.6 | E100 F102 F117 K127 | E100-Q115 PolarHBondContact OE1-NE2 2.91Å; F102-Q115 HydrophobicContact CD1-CB 4.1Å; F102-Q115 HydrophobicContact CD1-CG 4.04Å; F102-Q115 HydrophobicContact CE1-CB 3.97Å; F102-Q115 HydrophobicContact CE1-CG 3.54Å; F102-Q115 HydrophobicContact CZ-CG 3.87Å; Q115-F117 HydrophobicContact CG-CD1 4.16Å; Q115-K127 PolarHBondContact N-O 3.2Å; Q115-K127 PolarHBondContact O-N 2.75Å |
| 116 | I | 88.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.5 | 166.4 | -52.8 | 178.5 | 0 | 0 | 0 | 107.3 | E100 F101 L103 M114 Y124 V125 V126 L149 I155 | E100-I116 CarbonylContact C-O 3.59Å; E100-I116 VanDerWaalsContact CA-O 3.27Å; E100-I116 WeakPolarHBondContact CA-O 3.49Å; F101-I116 HydrophobicContact CB-CB 4.12Å; F101-I116 HydrophobicContact CD2-CB 4Å; F101-I116 HydrophobicContact CD2-CG2 3.94Å; F101-I116 HydrophobicContact CG-CB 4.49Å; F101-I116 PolarHBondContact N-O 3.02Å; F101-I116 PolarHBondContact O-N 3.35Å; L103-I116 HydrophobicContact CD1-CD1 4.02Å; M114-I116 HydrophobicContact CE-CD1 3.9Å; M114-I116 HydrophobicContact CE-CG1 4.01Å; I116-Y124 HydrophobicContact CG2-CD1 4.23Å; I116-V125 WeakPolarHBondContact CA-O 3.28Å; I116-V126 HydrophobicContact CG1-CG2 4.36Å; I116-L149 HydrophobicContact CB-CD2 4.49Å; I116-L149 HydrophobicContact CD1-CD2 4.16Å; I116-L149 HydrophobicContact CG1-CD2 4.4Å; I116-L149 HydrophobicContact CG2-CD2 3.38Å; I116-I155 HydrophobicContact CD1-CB 4.47Å; I116-I155 HydrophobicContact CD1-CD1 4.02Å; I116-I155 HydrophobicContact CD1-CG1 3.81Å; I116-I155 HydrophobicContact CD1-CG2 4.01Å |
| 117 | F | 86.9 | Confident | 82.1 | Confident | 37 Ų | 37 | 44.6 Ų | 44.6 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.2 | 176 | 65 | -79.5 | 0 | 0 | 0 | 111.8 | T99 E100 Q115 K119 Y124 V125 K127 | T99-F117 VanDerWaalsContact O-CA 3.3Å; T99-F117 WeakPolarHBondContact O-CA 3.36Å; E100-F117 HydrophobicContact CG-CB 4.17Å; Q115-F117 HydrophobicContact CG-CD1 4.16Å; F117-K119 HydrophobicContact CE2-CB 4.24Å; F117-Y124 CarbonylContact O-C 3.57Å; F117-Y124 WeakPolarHBondContact O-CA 3.19Å; F117-V125 HydrophobicContact CD1-CB 4.41Å; F117-V125 WeakPolarHBondContact CD1-O 3.33Å; F117-V125 HydrophobicContact CE1-CB 3.8Å; F117-V125 HydrophobicContact CE1-CG1 3.71Å; F117-V125 HydrophobicContact CE2-CB 4.14Å; F117-V125 HydrophobicContact CZ-CB 3.64Å; F117-V125 HydrophobicContact CZ-CG1 3.64Å; F117-V125 HydrophobicContact CZ-CG2 4.46Å; F117-V125 PolarHBondContact N-O 2.92Å; F117-V125 PolarHBondContact O-N 3.27Å; F117-K127 HydrophobicContact CE1-CD 3.77Å; F117-K127 HydrophobicContact CE1-CG 4.02Å; F117-K127 HydrophobicContact CZ-CD 4.31Å |
| 118 | E | 83.3 | Confident | 82.5 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121 | 173.7 | -166.1 | 166.6 | -148.8 | 0 | 0 | 109.8 | S62 T99 S120 P121 S122 Y124 | S62-E118 WeakPolarHBondContact CB-OE1 3.44Å; T99-E118 PolarHBondContact O-N 2.83Å; E118-S120 WeakPolarHBondContact CG-O 3.33Å; E118-P121 WeakPolarHBondContact OE1-CA 3.48Å; E118-S122 PolarHBondContact OE1-N 3.3Å; E118-Y124 HydrophobicContact CB-CD1 4.06Å; E118-Y124 HydrophobicContact CB-CE1 3.76Å; E118-Y124 HydrophobicContact CG-CE1 4.2Å |
| 119 | K | 83.3 | Confident | 83.1 | Confident | 151 Ų | 151 | 42.5 Ų | 42.5 | 66% | 0.657 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -34.6 | -179.3 | 175.6 | -178.6 | 168.5 | -169 | 0 | 112.1 | F117 N123 V125 | F117-K119 HydrophobicContact CE2-CB 4.24Å; K119-N123 PolarHBondContact N-O 2.81Å; K119-V125 HydrophobicContact CB-CG2 3.73Å; K119-V125 HydrophobicContact CD-CG2 3.76Å; K119-V125 HydrophobicContact CG-CG2 4.37Å |
| 120 | S | 76.3 | Confident | 83.8 | Confident | 58 Ų | 58 | 35.8 Ų | 35.8 | 41% | 0.406 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 161.9 | 172.3 | 61.3 | 0 | 0 | 0 | 0 | 107.8 | E118 S122 N123 | E118-S120 WeakPolarHBondContact CG-O 3.33Å; S120-S122 PolarHBondContact O-N 3.03Å; S120-N123 WeakPolarHBondContact O-CB 3.47Å; S120-N123 PolarHBondContact O-N 2.88Å; S120-N123 WeakPolarHBondContact OG-CB 3.48Å |
| 121 | P | 71.1 | Confident | 84 | Confident | 62 Ų | 62 | 40.3 Ų | 40.3 | 40% | 0.403 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 128 | -179.5 | -30.1 | 36.4 | 0 | 0 | 0 | 112.5 | E58 E118 N123 | E58-P121 HydrophobicContact CG-CB 3.97Å; E58-P121 HydrophobicContact CG-CG 4.49Å; E118-P121 WeakPolarHBondContact OE1-CA 3.48Å; P121-N123 PolarHBondContact O-N 3.45Å |
| 122 | S | 69.5 | Low | 83.6 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 12.4 | -178 | -61 | 0 | 0 | 0 | 0 | 116.4 | S62 E118 S120 | S62-S122 WeakPolarHBondContact CA-OG 3.44Å; S62-S122 PolarHBondContact N-OG 3.07Å; E118-S122 PolarHBondContact OE1-N 3.3Å; S120-S122 PolarHBondContact O-N 3.03Å |
| 123 | N | 81.7 | Confident | 83.2 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 103.3 | 178.6 | -171.5 | -99.9 | 0 | 0 | 0 | 111 | K119 S120 P121 | K119-N123 PolarHBondContact N-O 2.81Å; S120-N123 WeakPolarHBondContact O-CB 3.47Å; S120-N123 PolarHBondContact O-N 2.88Å; S120-N123 WeakPolarHBondContact OG-CB 3.48Å; P121-N123 PolarHBondContact O-N 3.45Å |
| 124 | Y | 86.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 146.1 | 176.7 | -68.4 | -89.1 | 0 | 0 | 0 | 110.3 | K65 H66 L69 F101 I116 F117 E118 N150 | K65-Y124 HydrophobicContact CB-CE2 4.36Å; H66-Y124 WeakPolarHBondContact CA-OH 3.4Å; H66-Y124 WeakPolarHBondContact CB-OH 3.03Å; H66-Y124 PolarHBondContact ND1-OH 2.97Å; H66-Y124 VanDerWaalsContact ND1-OH 3.13Å; L69-Y124 HydrophobicContact CD1-CD1 3.87Å; L69-Y124 HydrophobicContact CD1-CD2 3.81Å; L69-Y124 HydrophobicContact CD1-CE1 3.56Å; L69-Y124 HydrophobicContact CD1-CE2 3.53Å; L69-Y124 HydrophobicContact CD1-CG 3.99Å; L69-Y124 VanDerWaalsContact CD1-CZ 3.4Å; F101-Y124 HydrophobicContact CE2-CE1 4.19Å; I116-Y124 HydrophobicContact CG2-CD1 4.23Å; F117-Y124 CarbonylContact O-C 3.57Å; F117-Y124 WeakPolarHBondContact O-CA 3.19Å; E118-Y124 HydrophobicContact CB-CD1 4.06Å; E118-Y124 HydrophobicContact CB-CE1 3.76Å; E118-Y124 HydrophobicContact CG-CE1 4.2Å; Y124-N150 PolarHBondContact N-OD1 3.17Å; Y124-N150 PolarHBondContact O-ND2 2.88Å |
| 125 | V | 89.6 | Confident | 82 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 15% | 0.145 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.2 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 108.8 | I116 F117 K119 | I116-V125 WeakPolarHBondContact CA-O 3.28Å; F117-V125 HydrophobicContact CD1-CB 4.41Å; F117-V125 WeakPolarHBondContact CD1-O 3.33Å; F117-V125 HydrophobicContact CE1-CB 3.8Å; F117-V125 HydrophobicContact CE1-CG1 3.71Å; F117-V125 HydrophobicContact CE2-CB 4.14Å; F117-V125 HydrophobicContact CZ-CB 3.64Å; F117-V125 HydrophobicContact CZ-CG1 3.64Å; F117-V125 HydrophobicContact CZ-CG2 4.46Å; F117-V125 PolarHBondContact N-O 2.92Å; F117-V125 PolarHBondContact O-N 3.27Å; K119-V125 HydrophobicContact CB-CG2 3.73Å; K119-V125 HydrophobicContact CD-CG2 3.76Å; K119-V125 HydrophobicContact CG-CG2 4.37Å |
| 126 | V | 90.8 | Very high | 81.4 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 135.4 | 172 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | M114 I116 L145 T146 L149 T158 | M114-V126 HydrophobicContact CG-CG1 3.43Å; M114-V126 VanDerWaalsContact CG-CG1 3.43Å; M114-V126 HydrophobicContact SD-CG1 3.52Å; M114-V126 VanDerWaalsContact SD-CG1 3.52Å; I116-V126 HydrophobicContact CG1-CG2 4.36Å; V126-L145 HydrophobicContact CB-CB 3.99Å; V126-L145 HydrophobicContact CG1-CB 3.82Å; V126-L145 HydrophobicContact CG1-CD1 3.94Å; V126-L145 HydrophobicContact CG2-CB 4.15Å; V126-T146 PolarHBondContact N-OG1 3.21Å; V126-T146 PolarHBondContact O-OG1 2.96Å; V126-L149 HydrophobicContact CG2-CB 4.14Å; V126-L149 HydrophobicContact CG2-CD2 3.74Å; V126-T158 HydrophobicContact CG2-CG2 4.48Å |
| 127 | K | 89.5 | Confident | 80.6 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130.8 | 166.4 | -75 | 176.6 | -177.3 | 170.1 | 0 | 109.4 | M114 Q115 F117 D142 | M114-K127 CarbonylContact C-O 3.5Å; M114-K127 VanDerWaalsContact CA-O 3.32Å; M114-K127 WeakPolarHBondContact CA-O 3.46Å; Q115-K127 PolarHBondContact N-O 3.2Å; Q115-K127 PolarHBondContact O-N 2.75Å; F117-K127 HydrophobicContact CE1-CD 3.77Å; F117-K127 HydrophobicContact CE1-CG 4.02Å; F117-K127 HydrophobicContact CZ-CD 4.31Å; K127-D142 WeakPolarHBondContact CA-OD2 3.46Å |
| 128 | T | 87.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.3 | 177.8 | -40.1 | 0 | 0 | 0 | 0 | 108.4 | M112 T113 M114 S136 P137 F141 D142 L166 | M112-T128 HydrophobicContact CE-CG2 3.9Å; M112-T128 HydrophobicContact CG-CG2 3.5Å; M112-T128 HydrophobicContact SD-CG2 3.72Å; T113-T128 CarbonylContact O-C 3.59Å; T113-T128 WeakPolarHBondContact O-CA 3.27Å; M114-T128 HydrophobicContact CB-CG2 4.45Å; T128-S136 WeakPolarHBondContact O-CA 3.47Å; T128-S136 WeakPolarHBondContact O-CB 3.39Å; T128-P137 HydrophobicContact CG2-CG 4.23Å; T128-P137 WeakPolarHBondContact O-CD 3.29Å; T128-F141 HydrophobicContact CG2-CE1 4.18Å; T128-D142 WeakPolarHBondContact CA-OD1 3.43Å; T128-D142 WeakPolarHBondContact CB-OD1 3.44Å; T128-D142 PolarHBondContact N-OD1 2.9Å; T128-D142 PolarHBondContact N-OD2 3.39Å; T128-D142 PolarHBondContact OG1-OD1 3.32Å; T128-L166 HydrophobicContact CG2-CD1 4.3Å |
| 129 | T | 86.9 | Confident | 80.1 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.344 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.4 | -178.4 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | M112 T113 E135 | M112-T129 VanDerWaalsContact SD-O 3.37Å; T113-T129 PolarHBondContact N-O 3.46Å; T113-T129 PolarHBondContact O-N 2.91Å; T113-T129 PolarHBondContact O-OG1 3.08Å; T129-E135 WeakPolarHBondContact CA-O 3.32Å |
| 130 | S | 82.6 | Confident | 80.2 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 12% | 0.119 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 128.5 | 172.3 | 169.9 | 0 | 0 | 0 | 0 | 109.5 | M112 I132 T133 G134 E135 | M112-S130 VanDerWaalsContact SD-CA 3.6Å; M112-S130 PolarHBondContact SD-N 3.07Å; M112-S130 VanDerWaalsContact SD-N 3.43Å; S130-I132 PolarHBondContact O-N 3.06Å; S130-I132 PolarHBondContact OG-N 3.14Å; S130-T133 WeakPolarHBondContact CB-OG1 3.44Å; S130-T133 PolarHBondContact OG-N 3.06Å; S130-G134 VanDerWaalsContact O-CA 3.26Å; S130-G134 WeakPolarHBondContact O-CA 3.22Å; S130-G134 PolarHBondContact O-N 3.34Å; S130-E135 PolarHBondContact N-O 2.97Å |
| 131 | Q | 78.9 | Confident | 80.6 | Confident | 102 Ų | 102 | 61.4 Ų | 61.4 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -9.7 | 173.9 | -63.4 | -171.7 | -10.9 | 0 | 0 | 112.6 | S111 T113 | S111-Q131 WeakPolarHBondContact O-CB 3.31Å; S111-Q131 PolarHBondContact O-N 3.3Å; S111-Q131 PolarHBondContact OG-OE1 2.89Å; T113-Q131 WeakPolarHBondContact OG1-CG 3.32Å; T113-Q131 PolarHBondContact OG1-NE2 2.9Å |
| 132 | I | 74.1 | Confident | 81.4 | Confident | 123 Ų | 123 | 59.3 Ų | 59.3 | 63% | 0.631 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -41.1 | 178.6 | -58.5 | -168.8 | 0 | 0 | 0 | 111.9 | S130 | S130-I132 PolarHBondContact O-N 3.06Å; S130-I132 PolarHBondContact OG-N 3.14Å |
| 133 | T | 74.8 | Confident | 82.3 | Confident | 89 Ų | 89 | 63 Ų | 63 | 55% | 0.546 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -23.1 | 178.6 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | S130 E135 | S130-T133 WeakPolarHBondContact CB-OG1 3.44Å; S130-T133 PolarHBondContact OG-N 3.06Å; T133-E135 PolarHBondContact O-N 3.1Å; T133-E135 PolarHBondContact OG1-N 3.43Å |
| 134 | G | 74.9 | Confident | 82.7 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 62% | 0.619 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 77.5 | -2.9 | -169 | 0 | 0 | 0 | 0 | 0 | 114.1 | S130 | S130-G134 VanDerWaalsContact O-CA 3.26Å; S130-G134 WeakPolarHBondContact O-CA 3.22Å; S130-G134 PolarHBondContact O-N 3.34Å |
| 135 | E | 75.7 | Confident | 82.8 | Confident | 136 Ų | 136 | 62.5 Ų | 62.5 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -104.4 | 162.7 | -174.1 | -62 | -179 | 144.1 | 0 | 0 | 111.9 | T129 S130 T133 | T129-E135 WeakPolarHBondContact CA-O 3.32Å; S130-E135 PolarHBondContact N-O 2.97Å; T133-E135 PolarHBondContact O-N 3.1Å; T133-E135 PolarHBondContact OG1-N 3.43Å |
| 136 | S | 76.2 | Confident | 82.8 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | trans | -79.2 | 148.6 | 172.2 | 45.1 | 0 | 0 | 0 | 0 | 111.8 | T128 S138 | T128-S136 WeakPolarHBondContact O-CA 3.47Å; T128-S136 WeakPolarHBondContact O-CB 3.39Å; S136-S138 PolarHBondContact O-N 2.9Å | ||
| 137 | P | 72.5 | Confident | 82.7 | Confident | 59 Ų | 59 | 67.3 Ų | 67.3 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -63.1 | -42.6 | -179 | 25.4 | -33.9 | 0 | 0 | 0 | 111.8 | M112 T128 F141 L166 | M112-P137 HydrophobicContact CE-CB 3.81Å; M112-P137 HydrophobicContact CE-CG 3.74Å; T128-P137 HydrophobicContact CG2-CG 4.23Å; T128-P137 WeakPolarHBondContact O-CD 3.29Å; P137-F141 HydrophobicContact CG-CD1 3.6Å; P137-F141 HydrophobicContact CG-CE1 4.03Å; P137-F141 HydrophobicContact CG-CG 4.35Å; P137-L166 HydrophobicContact CB-CD2 3.98Å; P137-L166 HydrophobicContact CG-CD2 4.07Å |
| 138 | S | 79.6 | Confident | 82.5 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | trans | -160.7 | 159.6 | 159.3 | 75 | 0 | 0 | 0 | 0 | 109.4 | S136 F141 D142 | S136-S138 PolarHBondContact O-N 2.9Å; S138-F141 WeakPolarHBondContact OG-CB 3.41Å; S138-F141 PolarHBondContact OG-N 3.2Å; S138-F141 VanDerWaalsContact OG-N 3.07Å; S138-D142 PolarHBondContact O-N 3.34Å | ||
| 139 | L | 80.8 | Confident | 82.5 | Confident | 132 Ų | 132 | 66.3 Ų | 66.3 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74.1 | -30.3 | 177.2 | -168.7 | 142.7 | 0 | 0 | 0 | 111.9 | K143 | L139-K143 WeakPolarHBondContact O-CB 3.24Å; L139-K143 PolarHBondContact O-N 3.09Å |
| 140 | D | 84.3 | Confident | 82.5 | Confident | 119 Ų | 119 | 65.3 Ų | 65.3 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.7 | -32.8 | 175.7 | -59.1 | -59.1 | 0 | 0 | 0 | 112.4 | K143 M144 | D140-K143 PolarHBondContact O-N 3.24Å; D140-M144 WeakPolarHBondContact O-CB 3.32Å; D140-M144 PolarHBondContact O-N 3.13Å |
| 141 | F | 84.7 | Confident | 82.5 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.5 | -47.2 | 173.9 | 176.8 | -99.5 | 0 | 0 | 0 | 111.7 | T128 P137 S138 K143 M144 L145 A162 D165 L166 | T128-F141 HydrophobicContact CG2-CE1 4.18Å; P137-F141 HydrophobicContact CG-CD1 3.6Å; P137-F141 HydrophobicContact CG-CE1 4.03Å; P137-F141 HydrophobicContact CG-CG 4.35Å; S138-F141 WeakPolarHBondContact OG-CB 3.41Å; S138-F141 PolarHBondContact OG-N 3.2Å; S138-F141 VanDerWaalsContact OG-N 3.07Å; F141-K143 VanDerWaalsContact C-N 3.26Å; F141-K143 PolarHBondContact O-N 3.32Å; F141-M144 HydrophobicContact CD2-CE 3.81Å; F141-M144 HydrophobicContact CE2-CE 3.89Å; F141-M144 PolarHBondContact O-N 3.06Å; F141-M144 VanDerWaalsContact O-N 3.16Å; F141-L145 HydrophobicContact CD1-CD1 4.07Å; F141-L145 HydrophobicContact CD1-CG 4.44Å; F141-L145 HydrophobicContact CE1-CD1 3.39Å; F141-L145 HydrophobicContact CE1-CG 4.08Å; F141-L145 HydrophobicContact CE2-CD1 4.28Å; F141-L145 HydrophobicContact CE2-CD2 4.36Å; F141-L145 HydrophobicContact CE2-CG 4.26Å; F141-L145 HydrophobicContact CZ-CD1 3.53Å; F141-L145 HydrophobicContact CZ-CD2 4.29Å; F141-L145 HydrophobicContact CZ-CG 4Å; F141-L145 WeakPolarHBondContact O-CG 3.18Å; F141-L145 PolarHBondContact O-N 3.26Å; F141-A162 HydrophobicContact CZ-CB 3.94Å; F141-D165 HydrophobicContact CD2-CB 4.3Å; F141-D165 HydrophobicContact CE2-CB 3.77Å; F141-L166 HydrophobicContact CE1-CD1 3.77Å; F141-L166 HydrophobicContact CE1-CD2 3.99Å; F141-L166 HydrophobicContact CE1-CG 4.03Å; F141-L166 HydrophobicContact CE2-CD2 4.36Å; F141-L166 HydrophobicContact CE2-CG 4.14Å; F141-L166 HydrophobicContact CZ-CD1 3.53Å; F141-L166 HydrophobicContact CZ-CD2 3.85Å; F141-L166 HydrophobicContact CZ-CG 3.5Å |
| 142 | D | 88.6 | Confident | 82.7 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 10% | 0.096 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 174.8 | -81 | -3.1 | 0 | 0 | 0 | 112.1 | K127 T128 S138 T146 | K127-D142 WeakPolarHBondContact CA-OD2 3.46Å; T128-D142 WeakPolarHBondContact CA-OD1 3.43Å; T128-D142 WeakPolarHBondContact CB-OD1 3.44Å; T128-D142 PolarHBondContact N-OD1 2.9Å; T128-D142 PolarHBondContact N-OD2 3.39Å; T128-D142 PolarHBondContact OG1-OD1 3.32Å; S138-D142 PolarHBondContact O-N 3.34Å; D142-T146 VanDerWaalsContact O-CB 3.22Å; D142-T146 WeakPolarHBondContact O-CB 3.47Å; D142-T146 PolarHBondContact O-N 3.47Å; D142-T146 PolarHBondContact O-OG1 3.47Å |
| 143 | K | 88.7 | Confident | 83 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 172.2 | -178.8 | 179.4 | 175.9 | -63.9 | 0 | 111.7 | L139 D140 F141 T146 E147 | L139-K143 WeakPolarHBondContact O-CB 3.24Å; L139-K143 PolarHBondContact O-N 3.09Å; D140-K143 PolarHBondContact O-N 3.24Å; F141-K143 VanDerWaalsContact C-N 3.26Å; F141-K143 PolarHBondContact O-N 3.32Å; K143-T146 WeakPolarHBondContact O-CB 3.37Å; K143-T146 PolarHBondContact O-N 3.33Å; K143-E147 VanDerWaalsContact CE-OE1 3.29Å; K143-E147 WeakPolarHBondContact CE-OE1 3.23Å; K143-E147 WeakPolarHBondContact CG-OE1 3.19Å; K143-E147 IonicContact NZ-OE1 2.66Å; K143-E147 PolarHBondContact NZ-OE1 3.31Å; K143-E147 IonicContact NZ-OE2 2.77Å; K143-E147 PolarHBondContact NZ-OE2 3Å; K143-E147 WeakPolarHBondContact O-CG 3.3Å; K143-E147 PolarHBondContact O-N 3.04Å |
| 144 | M | 89.6 | Confident | 83.2 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 177 | -179.4 | -79.9 | -69.6 | 0 | 0 | 111.6 | D140 F141 T146 E147 K148 F161 D165 | D140-M144 WeakPolarHBondContact O-CB 3.32Å; D140-M144 PolarHBondContact O-N 3.13Å; F141-M144 HydrophobicContact CD2-CE 3.81Å; F141-M144 HydrophobicContact CE2-CE 3.89Å; F141-M144 PolarHBondContact O-N 3.06Å; F141-M144 VanDerWaalsContact O-N 3.16Å; M144-T146 VanDerWaalsContact C-N 3.32Å; M144-T146 PolarHBondContact O-N 3.03Å; M144-E147 PolarHBondContact O-N 2.9Å; M144-K148 WeakPolarHBondContact O-CG 3.38Å; M144-K148 PolarHBondContact O-N 2.98Å; M144-K148 HydrophobicContact SD-CG 3.84Å; M144-F161 HydrophobicContact CE-CB 4.4Å; M144-F161 HydrophobicContact SD-CB 4.35Å; M144-D165 WeakPolarHBondContact CE-OD2 3.42Å |
| 145 | L | 88.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 175.9 | -66.3 | -172.2 | 0 | 0 | 0 | 112.3 | M114 V126 F141 K148 L149 T158 F161 A162 | M114-L145 HydrophobicContact SD-CD1 3.79Å; V126-L145 HydrophobicContact CB-CB 3.99Å; V126-L145 HydrophobicContact CG1-CB 3.82Å; V126-L145 HydrophobicContact CG1-CD1 3.94Å; V126-L145 HydrophobicContact CG2-CB 4.15Å; F141-L145 HydrophobicContact CD1-CD1 4.07Å; F141-L145 HydrophobicContact CD1-CG 4.44Å; F141-L145 HydrophobicContact CE1-CD1 3.39Å; F141-L145 HydrophobicContact CE1-CG 4.08Å; F141-L145 HydrophobicContact CE2-CD1 4.28Å; F141-L145 HydrophobicContact CE2-CD2 4.36Å; F141-L145 HydrophobicContact CE2-CG 4.26Å; F141-L145 HydrophobicContact CZ-CD1 3.53Å; F141-L145 HydrophobicContact CZ-CD2 4.29Å; F141-L145 HydrophobicContact CZ-CG 4Å; F141-L145 WeakPolarHBondContact O-CG 3.18Å; F141-L145 PolarHBondContact O-N 3.26Å; L145-K148 PolarHBondContact O-N 2.9Å; L145-L149 VanDerWaalsContact O-CB 3.3Å; L145-L149 WeakPolarHBondContact O-CB 3.46Å; L145-L149 PolarHBondContact O-N 2.92Å; L145-T158 HydrophobicContact CB-CG2 3.98Å; L145-T158 HydrophobicContact CD2-CG2 3.98Å; L145-T158 WeakPolarHBondContact CD2-O 3.3Å; L145-T158 HydrophobicContact CG-CG2 4.46Å; L145-F161 HydrophobicContact CD2-CB 4.16Å; L145-A162 HydrophobicContact CD1-CB 3.84Å; L145-A162 HydrophobicContact CD2-CB 3.91Å |
| 146 | T | 89.8 | Confident | 83.4 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 15% | 0.153 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.3 | -66 | 0 | 0 | 0 | 0 | 111.5 | V126 D142 K143 M144 L149 N150 | V126-T146 PolarHBondContact N-OG1 3.21Å; V126-T146 PolarHBondContact O-OG1 2.96Å; D142-T146 VanDerWaalsContact O-CB 3.22Å; D142-T146 WeakPolarHBondContact O-CB 3.47Å; D142-T146 PolarHBondContact O-N 3.47Å; D142-T146 PolarHBondContact O-OG1 3.47Å; K143-T146 WeakPolarHBondContact O-CB 3.37Å; K143-T146 PolarHBondContact O-N 3.33Å; M144-T146 VanDerWaalsContact C-N 3.32Å; M144-T146 PolarHBondContact O-N 3.03Å; T146-L149 PolarHBondContact O-N 3.22Å; T146-N150 PolarHBondContact O-N 3.21Å; T146-N150 PolarHBondContact O-ND2 3.34Å |
| 147 | E | 87.9 | Confident | 83.3 | Confident | 103 Ų | 103 | 51.6 Ų | 51.6 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 177.4 | -75 | 165.3 | -172.8 | 0 | 0 | 111.7 | K143 M144 S151 | K143-E147 VanDerWaalsContact CE-OE1 3.29Å; K143-E147 WeakPolarHBondContact CE-OE1 3.23Å; K143-E147 WeakPolarHBondContact CG-OE1 3.19Å; K143-E147 IonicContact NZ-OE1 2.66Å; K143-E147 PolarHBondContact NZ-OE1 3.31Å; K143-E147 IonicContact NZ-OE2 2.77Å; K143-E147 PolarHBondContact NZ-OE2 3Å; K143-E147 WeakPolarHBondContact O-CG 3.3Å; K143-E147 PolarHBondContact O-N 3.04Å; M144-E147 PolarHBondContact O-N 2.9Å; E147-S151 WeakPolarHBondContact O-CB 3.46Å; E147-S151 PolarHBondContact O-N 3.41Å; E147-S151 VanDerWaalsContact O-N 3.13Å; E147-S151 PolarHBondContact O-OG 2.91Å |
| 148 | K | 86.9 | Confident | 83.8 | Confident | 77 Ų | 77 | 48.8 Ų | 48.8 | 34% | 0.335 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 172.7 | -70.5 | -60.5 | -171.6 | -172.6 | 0 | 112.8 | M144 L145 S151 T152 F161 | M144-K148 WeakPolarHBondContact O-CG 3.38Å; M144-K148 PolarHBondContact O-N 2.98Å; M144-K148 HydrophobicContact SD-CG 3.84Å; L145-K148 PolarHBondContact O-N 2.9Å; K148-S151 WeakPolarHBondContact CA-OG 3.48Å; K148-S151 PolarHBondContact O-N 3.04Å; K148-S151 PolarHBondContact O-OG 3.41Å; K148-S151 VanDerWaalsContact O-OG 3.14Å; K148-T152 WeakPolarHBondContact O-CB 3.45Å; K148-T152 WeakPolarHBondContact O-CG2 3.42Å; K148-T152 PolarHBondContact O-N 2.93Å; K148-T152 PolarHBondContact O-OG1 3.43Å; K148-F161 HydrophobicContact CB-CD2 4.28Å; K148-F161 HydrophobicContact CD-CD2 4.14Å; K148-F161 HydrophobicContact CD-CE2 3.83Å; K148-F161 HydrophobicContact CD-CZ 4.11Å; K148-F161 HydrophobicContact CG-CD2 3.93Å; K148-F161 HydrophobicContact CG-CE2 4.14Å; K148-F161 HydrophobicContact CG-CG 4.37Å |
| 149 | L | 87.4 | Confident | 83.6 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.2 | -43.3 | 178.5 | -173.4 | 68.3 | 0 | 0 | 0 | 112.2 | L69 I116 V126 L145 T146 S151 W153 I155 T158 | L69-L149 HydrophobicContact CD2-CD1 3.79Å; L69-L149 HydrophobicContact CD2-CG 4.5Å; I116-L149 HydrophobicContact CB-CD2 4.49Å; I116-L149 HydrophobicContact CD1-CD2 4.16Å; I116-L149 HydrophobicContact CG1-CD2 4.4Å; I116-L149 HydrophobicContact CG2-CD2 3.38Å; V126-L149 HydrophobicContact CG2-CB 4.14Å; V126-L149 HydrophobicContact CG2-CD2 3.74Å; L145-L149 VanDerWaalsContact O-CB 3.3Å; L145-L149 WeakPolarHBondContact O-CB 3.46Å; L145-L149 PolarHBondContact O-N 2.92Å; T146-L149 PolarHBondContact O-N 3.22Å; L149-S151 VanDerWaalsContact C-N 3.28Å; L149-S151 PolarHBondContact O-N 2.78Å; L149-W153 WeakPolarHBondContact O-CA 3.35Å; L149-W153 PolarHBondContact O-N 2.82Å; L149-I155 HydrophobicContact CD1-CG1 3.96Å; L149-T158 WeakPolarHBondContact CA-OG1 3.42Å; L149-T158 HydrophobicContact CB-CG2 4.23Å; L149-T158 PolarHBondContact N-OG1 2.96Å |
| 150 | N | 86.9 | Confident | 83.3 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.3 | -13.5 | -179.9 | -72 | -74 | 0 | 0 | 0 | 114.1 | Y124 T146 W153 | Y124-N150 PolarHBondContact N-OD1 3.17Å; Y124-N150 PolarHBondContact O-ND2 2.88Å; T146-N150 PolarHBondContact O-N 3.21Å; T146-N150 PolarHBondContact O-ND2 3.34Å; N150-W153 PolarHBondContact O-NE1 3.31Å |
| 151 | S | 83.1 | Confident | 82.9 | Confident | 82 Ų | 82 | 40.2 Ų | 40.2 | 57% | 0.573 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -96.3 | -34.6 | 173.7 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | E147 K148 L149 | E147-S151 WeakPolarHBondContact O-CB 3.46Å; E147-S151 PolarHBondContact O-N 3.41Å; E147-S151 VanDerWaalsContact O-N 3.13Å; E147-S151 PolarHBondContact O-OG 2.91Å; K148-S151 WeakPolarHBondContact CA-OG 3.48Å; K148-S151 PolarHBondContact O-N 3.04Å; K148-S151 PolarHBondContact O-OG 3.41Å; K148-S151 VanDerWaalsContact O-OG 3.14Å; L149-S151 VanDerWaalsContact C-N 3.28Å; L149-S151 PolarHBondContact O-N 2.78Å |
| 152 | T | 81.3 | Confident | 82.5 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -95.4 | -23.4 | -179 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | K148 S154 | K148-T152 WeakPolarHBondContact O-CB 3.45Å; K148-T152 WeakPolarHBondContact O-CG2 3.42Å; K148-T152 PolarHBondContact O-N 2.93Å; K148-T152 PolarHBondContact O-OG1 3.43Å; T152-S154 PolarHBondContact O-N 2.67Å; T152-S154 PolarHBondContact OG1-N 3.44Å |
| 153 | W | 80.9 | Confident | 81.9 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 29% | 0.292 | 20% | 0.204 | S | C | . | . | trans | 47.6 | 28.6 | -167.6 | -51.9 | -35.3 | 0 | 0 | 0 | 113.9 | W64 K65 L69 L149 N150 | W64-W153 HydrophobicContact CH2-CE3 4.09Å; W64-W153 AromaticContact CH2-CZ3 3.92Å; W64-W153 HydrophobicContact CH2-CZ3 3.92Å; W64-W153 AromaticContact CZ3-CE3 3.95Å; W64-W153 HydrophobicContact CZ3-CE3 3.95Å; W64-W153 AromaticContact CZ3-CZ3 3.75Å; W64-W153 HydrophobicContact CZ3-CZ3 3.75Å; K65-W153 HydrophobicContact CD-CZ2 4.45Å; K65-W153 VanDerWaalsContact CE-CZ2 3.44Å; K65-W153 HydrophobicContact CG-CD2 4.41Å; L69-W153 WeakPolarHBondContact CD2-O 3.42Å; L149-W153 WeakPolarHBondContact O-CA 3.35Å; L149-W153 PolarHBondContact O-N 2.82Å; N150-W153 PolarHBondContact O-NE1 3.31Å | ||
| 154 | S | 79.6 | Confident | 81.2 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 23% | 0.231 | 21% | 0.211 | C | C | . | . | trans | -125.8 | 107.3 | -174.4 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | T152 A157 T158 | T152-S154 PolarHBondContact O-N 2.67Å; T152-S154 PolarHBondContact OG1-N 3.44Å; S154-A157 PolarHBondContact O-N 2.84Å; S154-A157 PolarHBondContact OG-N 3.08Å; S154-T158 PolarHBondContact O-N 3.14Å; S154-T158 VanDerWaalsContact O-N 3.1Å; S154-T158 PolarHBondContact O-OG1 2.84Å | ||
| 155 | I | 79.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | 178.1 | -67 | 173.4 | 0 | 0 | 0 | 111.5 | L69 S72 I73 F101 L103 I116 L149 A157 T158 L159 | L69-I155 HydrophobicContact CB-CD1 4.1Å; L69-I155 HydrophobicContact CD2-CD1 4.06Å; L69-I155 HydrophobicContact CD2-CG1 3.71Å; S72-I155 PolarHBondContact OG-N 2.93Å; I73-I155 HydrophobicContact CD1-CD1 3.71Å; I73-I155 HydrophobicContact CG1-CB 4.46Å; I73-I155 HydrophobicContact CG1-CD1 4.24Å; F101-I155 HydrophobicContact CD1-CD1 3.8Å; F101-I155 HydrophobicContact CD2-CD1 4.29Å; F101-I155 HydrophobicContact CE1-CD1 3.97Å; F101-I155 HydrophobicContact CE2-CD1 4.43Å; F101-I155 HydrophobicContact CG-CD1 3.99Å; F101-I155 HydrophobicContact CZ-CD1 4.28Å; L103-I155 HydrophobicContact CD1-CG2 3.85Å; I116-I155 HydrophobicContact CD1-CB 4.47Å; I116-I155 HydrophobicContact CD1-CD1 4.02Å; I116-I155 HydrophobicContact CD1-CG1 3.81Å; I116-I155 HydrophobicContact CD1-CG2 4.01Å; L149-I155 HydrophobicContact CD1-CG1 3.96Å; I155-A157 PolarHBondContact O-N 2.89Å; I155-T158 PolarHBondContact O-N 2.97Å; I155-L159 HydrophobicContact CG2-CD1 3.8Å; I155-L159 HydrophobicContact CG2-CG 4.41Å; I155-L159 WeakPolarHBondContact O-CB 3.46Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 3.41Å |
| 156 | P | 74.6 | Confident | 79.6 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 8% | 0.078 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -35.7 | 178 | -26.2 | 39.2 | 0 | 0 | 0 | 114.1 | T15 Q25 I76 L159 T160 | T15-P156 HydrophobicContact CG2-CB 4.22Å; Q25-P156 PolarHBondContact NE2-O 2.92Å; Q25-P156 VanDerWaalsContact NE2-O 3.11Å; I76-P156 HydrophobicContact CD1-CB 4.24Å; I76-P156 HydrophobicContact CD1-CG 3.33Å; I76-P156 HydrophobicContact CG1-CG 4.05Å; P156-L159 PolarHBondContact O-N 3.31Å; P156-T160 PolarHBondContact O-N 3.21Å; P156-T160 PolarHBondContact O-OG1 2.99Å |
| 157 | A | 75.3 | Confident | 78.8 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 24% | 0.24 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -49 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S154 I155 L159 T160 F161 | S154-A157 PolarHBondContact O-N 2.84Å; S154-A157 PolarHBondContact OG-N 3.08Å; I155-A157 PolarHBondContact O-N 2.89Å; A157-L159 VanDerWaalsContact C-N 3.29Å; A157-L159 PolarHBondContact O-N 3.05Å; A157-T160 WeakPolarHBondContact O-CB 3.49Å; A157-T160 PolarHBondContact O-N 3.4Å; A157-F161 WeakPolarHBondContact O-CD2 3.34Å; A157-F161 PolarHBondContact O-N 3.29Å |
| 158 | T | 81.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.3 | -42.2 | 173.7 | -60.7 | 0 | 0 | 0 | 0 | 112 | V126 L145 L149 S154 I155 T160 F161 A162 | V126-T158 HydrophobicContact CG2-CG2 4.48Å; L145-T158 HydrophobicContact CB-CG2 3.98Å; L145-T158 HydrophobicContact CD2-CG2 3.98Å; L145-T158 WeakPolarHBondContact CD2-O 3.3Å; L145-T158 HydrophobicContact CG-CG2 4.46Å; L149-T158 WeakPolarHBondContact CA-OG1 3.42Å; L149-T158 HydrophobicContact CB-CG2 4.23Å; L149-T158 PolarHBondContact N-OG1 2.96Å; S154-T158 PolarHBondContact O-N 3.14Å; S154-T158 VanDerWaalsContact O-N 3.1Å; S154-T158 PolarHBondContact O-OG1 2.84Å; I155-T158 PolarHBondContact O-N 2.97Å; T158-T160 VanDerWaalsContact C-N 3.32Å; T158-T160 PolarHBondContact O-N 3.07Å; T158-F161 PolarHBondContact O-N 2.97Å; T158-A162 PolarHBondContact O-N 2.89Å |
| 159 | L | 75.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.7 | -30.2 | 175.7 | -78.1 | 165.9 | 0 | 0 | 0 | 113.5 | Y27 M92 L103 F105 M114 I155 P156 A157 A162 I163 | Y27-L159 HydrophobicContact CE1-CD1 3.87Å; Y27-L159 WeakPolarHBondContact OH-CD1 3.32Å; M92-L159 HydrophobicContact CE-CB 4.44Å; M92-L159 HydrophobicContact CE-CD1 4.41Å; M92-L159 HydrophobicContact CE-CD2 3.94Å; M92-L159 HydrophobicContact SD-CD1 3.89Å; M92-L159 HydrophobicContact SD-CD2 4.12Å; L103-L159 HydrophobicContact CD1-CD1 4.04Å; L103-L159 HydrophobicContact CD1-CD2 4.3Å; L103-L159 HydrophobicContact CD1-CG 4.46Å; L103-L159 HydrophobicContact CD2-CD1 4.04Å; F105-L159 HydrophobicContact CE1-CD2 4.5Å; M114-L159 HydrophobicContact CE-CD2 3.44Å; M114-L159 VanDerWaalsContact CE-CD2 3.44Å; M114-L159 HydrophobicContact CE-CG 3.95Å; M114-L159 HydrophobicContact SD-CD2 4.27Å; I155-L159 HydrophobicContact CG2-CD1 3.8Å; I155-L159 HydrophobicContact CG2-CG 4.41Å; I155-L159 WeakPolarHBondContact O-CB 3.46Å; I155-L159 WeakPolarHBondContact O-CG 3.48Å; I155-L159 PolarHBondContact O-N 3.41Å; P156-L159 PolarHBondContact O-N 3.31Å; A157-L159 VanDerWaalsContact C-N 3.29Å; A157-L159 PolarHBondContact O-N 3.05Å; L159-A162 PolarHBondContact O-N 3.12Å; L159-I163 WeakPolarHBondContact O-CB 3.5Å; L159-I163 WeakPolarHBondContact O-CD1 3.13Å; L159-I163 WeakPolarHBondContact O-CG1 2.93Å; L159-I163 PolarHBondContact O-N 3.36Å |
| 160 | T | 75.6 | Confident | 76.5 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 27% | 0.27 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 177.5 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | F17 Q25 P156 A157 T158 I163 T164 | F17-T160 VanDerWaalsContact CZ-OG1 3.27Å; F17-T160 WeakPolarHBondContact CZ-OG1 3.35Å; Q25-T160 PolarHBondContact NE2-OG1 3.27Å; Q25-T160 VanDerWaalsContact NE2-OG1 3.14Å; P156-T160 PolarHBondContact O-N 3.21Å; P156-T160 PolarHBondContact O-OG1 2.99Å; A157-T160 WeakPolarHBondContact O-CB 3.49Å; A157-T160 PolarHBondContact O-N 3.4Å; T158-T160 VanDerWaalsContact C-N 3.32Å; T158-T160 PolarHBondContact O-N 3.07Å; T160-I163 PolarHBondContact O-N 2.94Å; T160-T164 WeakPolarHBondContact O-CB 3.41Å; T160-T164 PolarHBondContact O-N 3.32Å; T160-T164 PolarHBondContact O-OG1 2.89Å |
| 161 | F | 74.8 | Confident | 75.6 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 168.3 | -63.9 | -71.5 | 0 | 0 | 0 | 111.4 | M144 L145 K148 A157 T158 I163 T164 D165 | M144-F161 HydrophobicContact CE-CB 4.4Å; M144-F161 HydrophobicContact SD-CB 4.35Å; L145-F161 HydrophobicContact CD2-CB 4.16Å; K148-F161 HydrophobicContact CB-CD2 4.28Å; K148-F161 HydrophobicContact CD-CD2 4.14Å; K148-F161 HydrophobicContact CD-CE2 3.83Å; K148-F161 HydrophobicContact CD-CZ 4.11Å; K148-F161 HydrophobicContact CG-CD2 3.93Å; K148-F161 HydrophobicContact CG-CE2 4.14Å; K148-F161 HydrophobicContact CG-CG 4.37Å; A157-F161 WeakPolarHBondContact O-CD2 3.34Å; A157-F161 PolarHBondContact O-N 3.29Å; T158-F161 PolarHBondContact O-N 2.97Å; F161-I163 PolarHBondContact O-N 2.99Å; F161-T164 PolarHBondContact O-N 3.04Å; F161-D165 PolarHBondContact O-N 3.11Å |
| 162 | A | 77.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -41.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F141 L145 T158 L159 L166 | F141-A162 HydrophobicContact CZ-CB 3.94Å; L145-A162 HydrophobicContact CD1-CB 3.84Å; L145-A162 HydrophobicContact CD2-CB 3.91Å; T158-A162 PolarHBondContact O-N 2.89Å; L159-A162 PolarHBondContact O-N 3.12Å; A162-L166 HydrophobicContact CB-CD1 4.48Å; A162-L166 WeakPolarHBondContact O-CB 3.35Å; A162-L166 WeakPolarHBondContact O-CG 3.43Å; A162-L166 PolarHBondContact O-N 3.34Å; A162-L166 VanDerWaalsContact O-N 3.08Å |
| 163 | I | 75.4 | Confident | 73.3 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 178.3 | -70.1 | 160.9 | 0 | 0 | 0 | 111.7 | I23 Q25 V90 M92 L159 T160 F161 D165 C168 | I23-I163 HydrophobicContact CB-CG2 4.21Å; I23-I163 HydrophobicContact CD1-CG2 3.9Å; I23-I163 HydrophobicContact CG2-CG2 3.94Å; Q25-I163 HydrophobicContact CG-CD1 3.62Å; V90-I163 HydrophobicContact CG2-CD1 4.31Å; V90-I163 HydrophobicContact CG2-CG1 4.29Å; V90-I163 HydrophobicContact CG2-CG2 4.07Å; M92-I163 HydrophobicContact CE-CD1 3.61Å; M92-I163 HydrophobicContact CE-CG1 3.96Å; L159-I163 WeakPolarHBondContact O-CB 3.5Å; L159-I163 WeakPolarHBondContact O-CD1 3.13Å; L159-I163 WeakPolarHBondContact O-CG1 2.93Å; L159-I163 PolarHBondContact O-N 3.36Å; T160-I163 PolarHBondContact O-N 2.94Å; F161-I163 PolarHBondContact O-N 2.99Å; I163-D165 VanDerWaalsContact C-N 3.35Å; I163-D165 PolarHBondContact O-N 3.23Å; I163-C168 HydrophobicContact CG2-CB 4.16Å |
| 164 | T | 74.1 | Confident | 71.9 | Confident | 99 Ų | 99 | 47.4 Ų | 47.4 | 61% | 0.607 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.1 | -42.6 | -175.9 | -57 | 0 | 0 | 0 | 0 | 110.7 | T160 F161 | T160-T164 WeakPolarHBondContact O-CB 3.41Å; T160-T164 PolarHBondContact O-N 3.32Å; T160-T164 PolarHBondContact O-OG1 2.89Å; F161-T164 PolarHBondContact O-N 3.04Å |
| 165 | D | 73.9 | Confident | 70.5 | Confident | 95 Ų | 95 | 46.5 Ų | 46.5 | 51% | 0.508 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -80.9 | -38.7 | -179.7 | -66.1 | -21.1 | 0 | 0 | 0 | 113.2 | F141 M144 F161 I163 K167 | F141-D165 HydrophobicContact CD2-CB 4.3Å; F141-D165 HydrophobicContact CE2-CB 3.77Å; M144-D165 WeakPolarHBondContact CE-OD2 3.42Å; F161-D165 PolarHBondContact O-N 3.11Å; I163-D165 VanDerWaalsContact C-N 3.35Å; I163-D165 PolarHBondContact O-N 3.23Å; D165-K167 PolarHBondContact O-N 2.67Å |
| 166 | L | 69.7 | Low | 68.7 | Low | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -84.3 | -3.7 | -166.7 | -68.8 | 177.1 | 0 | 0 | 0 | 116 | F105 T107 M112 T128 P137 F141 A162 | F105-L166 HydrophobicContact CE2-CD1 3.69Å; F105-L166 HydrophobicContact CZ-CD1 3.63Å; T107-L166 HydrophobicContact CG2-CB 4.11Å; M112-L166 HydrophobicContact CE-CD1 4.17Å; M112-L166 HydrophobicContact CE-CD2 3.84Å; M112-L166 HydrophobicContact CG-CD1 4.37Å; T128-L166 HydrophobicContact CG2-CD1 4.3Å; P137-L166 HydrophobicContact CB-CD2 3.98Å; P137-L166 HydrophobicContact CG-CD2 4.07Å; F141-L166 HydrophobicContact CE1-CD1 3.77Å; F141-L166 HydrophobicContact CE1-CD2 3.99Å; F141-L166 HydrophobicContact CE1-CG 4.03Å; F141-L166 HydrophobicContact CE2-CD2 4.36Å; F141-L166 HydrophobicContact CE2-CG 4.14Å; F141-L166 HydrophobicContact CZ-CD1 3.53Å; F141-L166 HydrophobicContact CZ-CD2 3.85Å; F141-L166 HydrophobicContact CZ-CG 3.5Å; A162-L166 HydrophobicContact CB-CD1 4.48Å; A162-L166 WeakPolarHBondContact O-CB 3.35Å; A162-L166 WeakPolarHBondContact O-CG 3.43Å; A162-L166 PolarHBondContact O-N 3.34Å; A162-L166 VanDerWaalsContact O-N 3.08Å |
| 167 | K | 73.3 | Confident | 67.1 | Low | 113 Ų | 113 | 49.3 Ų | 49.3 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 62 | -173.3 | -57.2 | 178.8 | -170 | 163 | 0 | 111.7 | T107 D108 Y109 D165 | T107-K167 WeakPolarHBondContact CA-O 3.49Å; D108-K167 PolarHBondContact N-O 2.84Å; Y109-K167 HydrophobicContact CE2-CB 4.35Å; Y109-K167 HydrophobicContact CE2-CD 4.12Å; Y109-K167 PolarHBondContact OH-NZ 3.4Å; Y109-K167 VanDerWaalsContact OH-NZ 3.11Å; D165-K167 PolarHBondContact O-N 2.67Å |
| 168 | C | 74.8 | Confident | 65.5 | Low | 11 Ų | 11 | 51.5 Ų | 51.5 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -62.4 | 149.7 | 175.5 | -66 | 0 | 0 | 0 | 0 | 111.9 | V90 F105 D106 I163 I170 | V90-C168 HydrophobicContact CB-CB 4.37Å; V90-C168 HydrophobicContact CG1-CB 3.94Å; V90-C168 HydrophobicContact CG2-CB 3.44Å; V90-C168 VanDerWaalsContact CG2-CB 3.44Å; F105-C168 VanDerWaalsContact CD2-SG 3.57Å; D106-C168 CarbonylContact O-C 3.56Å; D106-C168 WeakPolarHBondContact O-CA 3.47Å; I163-C168 HydrophobicContact CG2-CB 4.16Å; C168-I170 PolarHBondContact O-N 3.42Å |
| 169 | R | 67.1 | Low | 63.1 | Low | 116 Ų | 116 | 55.4 Ų | 55.4 | 44% | 0.438 | 30% | 0.299 | S | S | . | . | trans | -74.1 | 112.6 | 172.2 | -67.2 | -171.2 | -178.5 | 162.3 | 6.2 | 109.4 | D106 T107 D108 | D106-R169 HydrophobicContact CB-CB 4.21Å; D106-R169 HydrophobicContact CB-CG 4.34Å; D106-R169 PolarHBondContact O-N 2.94Å; T107-R169 PolarHBondContact O-NE 3.05Å; T107-R169 VanDerWaalsContact O-NE 3.09Å; T107-R169 PolarHBondContact O-NH2 3.46Å; D108-R169 PolarHBondContact O-NH2 2.59Å | ||
| 170 | I | 73.3 | Confident | 61 | Low | 75 Ų | 75 | 63.4 Ų | 63.4 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 117.4 | 178.2 | -57.8 | 173.6 | 0 | 0 | 0 | 108.2 | I23 N88 C168 | I23-I170 HydrophobicContact CD1-CD1 3.68Å; I23-I170 HydrophobicContact CD1-CG1 4.38Å; I23-I170 HydrophobicContact CG1-CD1 3.98Å; I23-I170 HydrophobicContact CG2-CD1 4.4Å; I23-I170 HydrophobicContact CG2-CG1 4.14Å; N88-I170 HydrophobicContact CB-CG2 3.45Å; N88-I170 VanDerWaalsContact CB-CG2 3.45Å; C168-I170 PolarHBondContact O-N 3.42Å |
| 171 | N | 67.1 | Low | 58.6 | Low | 71 Ų | 71 | 67.5 Ų | 67.5 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 146 | 169.4 | -70.9 | -24.4 | 0 | 0 | 0 | 109.6 | A89 D91 V173 | A89-N171 PolarHBondContact N-O 3.31Å; A89-N171 PolarHBondContact O-N 3.41Å; A89-N171 VanDerWaalsContact O-O 3.08Å; D91-N171 PolarHBondContact OD2-ND2 2.97Å; N171-V173 HydrophobicContact CB-CG2 4.43Å |
| 172 | S | 59.5 | Low | 56.5 | Low | 67 Ų | 67 | 69.7 Ų | 69.7 | 47% | 0.469 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 126.2 | 168.1 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | E86 | E86-S172 WeakPolarHBondContact CG-OG 3.43Å; E86-S172 PolarHBondContact OE1-OG 3.29Å |
| 173 | V | 57.3 | Low | 54.1 | Low | 19 Ų | 19 | 73.3 Ų | 73.3 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.3 | -175.5 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | L14 V87 A89 N171 N175 | L14-V173 HydrophobicContact CD2-CG1 4Å; V87-V173 PolarHBondContact N-O 3.4Å; V87-V173 PolarHBondContact O-N 2.77Å; A89-V173 HydrophobicContact CB-CB 4.24Å; A89-V173 HydrophobicContact CB-CG2 3.9Å; N171-V173 HydrophobicContact CB-CG2 4.43Å; V173-N175 PolarHBondContact O-N 2.98Å; V173-N175 VanDerWaalsContact O-N 3.17Å |
| 174 | L | 49.7 | Very low | 51.8 | Low | 115 Ų | 115 | 79.2 Ų | 79.2 | 60% | 0.602 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 104.7 | 171.5 | -66.2 | 173.8 | 0 | 0 | 0 | 109.9 | E86 | E86-L174 HydrophobicContact CB-CD2 4.14Å; E86-L174 HydrophobicContact CG-CD2 4.48Å |
| 175 | N | 51.3 | Low | 49.7 | Very low | 14 Ų | 14 | 79.8 Ų | 79.8 | 8% | 0.075 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 146.4 | 177.2 | -166.7 | 2.3 | 0 | 0 | 0 | 110.7 | L14 Q16 Q24 Q84 K85 V87 V173 V177 | L14-N175 HydrophobicContact CD2-CB 3.68Å; L14-N175 WeakPolarHBondContact CD2-ND2 3.24Å; Q16-N175 PolarHBondContact NE2-OD1 2.85Å; Q24-N175 PolarHBondContact OE1-ND2 2.9Å; Q84-N175 CarbonylContact C-O 3.6Å; Q84-N175 WeakPolarHBondContact CA-O 3.33Å; K85-N175 PolarHBondContact N-O 3.16Å; K85-N175 PolarHBondContact O-N 2.96Å; K85-N175 VanDerWaalsContact O-O 3.14Å; V87-N175 HydrophobicContact CB-CB 4.47Å; V87-N175 HydrophobicContact CG2-CB 3.96Å; V173-N175 PolarHBondContact O-N 2.98Å; V173-N175 VanDerWaalsContact O-N 3.17Å; N175-V177 VanDerWaalsContact C-N 3.29Å; N175-V177 HydrophobicContact CB-CG2 4.25Å; N175-V177 PolarHBondContact O-N 3.22Å; N175-V177 VanDerWaalsContact O-N 3.09Å |
| 176 | C | 40.6 | Very low | 47.5 | Very low | 41 Ų | 41 | 80.6 Ų | 80.6 | 28% | 0.277 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 83.3 | 163.3 | -66 | 0 | 0 | 0 | 0 | 108.2 | Q16 E83 I178 | Q16-C176 PolarHBondContact NE2-O 3.2Å; E83-C176 WeakPolarHBondContact O-CA 3.22Å; C176-I178 PolarHBondContact O-N 3.47Å |
| 177 | V | 40.7 | Very low | 45.4 | Very low | 30 Ų | 30 | 86.4 Ų | 86.4 | 18% | 0.182 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.4 | 179.4 | 170.9 | 0 | 0 | 0 | 0 | 109.3 | G82 E83 K85 V87 N175 S179 | G82-V177 WeakPolarHBondContact CA-O 3.29Å; E83-V177 PolarHBondContact O-N 2.86Å; K85-V177 HydrophobicContact CB-CB 4.11Å; K85-V177 HydrophobicContact CB-CG2 3.72Å; K85-V177 HydrophobicContact CD-CG2 4.3Å; V87-V177 HydrophobicContact CG2-CG2 3.56Å; N175-V177 VanDerWaalsContact C-N 3.29Å; N175-V177 HydrophobicContact CB-CG2 4.25Å; N175-V177 PolarHBondContact O-N 3.22Å; N175-V177 VanDerWaalsContact O-N 3.09Å; V177-S179 PolarHBondContact O-N 3.44Å |
| 178 | I | 42 | Very low | 43.2 | Very low | 74 Ų | 74 | 88 Ų | 88 | 38% | 0.379 | 51% | 0.505 | S | S | . | . | trans | -68.5 | 101.8 | 167.4 | -61.7 | 163.6 | 0 | 0 | 0 | 107.6 | Q16 S80 C176 F180 | Q16-I178 VanDerWaalsContact OE1-CG1 3.31Å; S80-I178 WeakPolarHBondContact OG-CG1 3.43Å; C176-I178 PolarHBondContact O-N 3.47Å; I178-F180 HydrophobicContact CB-CD2 4.3Å; I178-F180 HydrophobicContact CB-CE2 4.34Å; I178-F180 HydrophobicContact CG2-CD2 3.48Å; I178-F180 VanDerWaalsContact CG2-CD2 3.48Å; I178-F180 HydrophobicContact CG2-CE2 3.51Å; I178-F180 HydrophobicContact CG2-CG 4.11Å; I178-F180 HydrophobicContact CG2-CZ 4.16Å; I178-F180 PolarHBondContact O-N 3.29Å | ||
| 179 | S | 31.8 | Very low | 41 | Very low | 83 Ų | 83 | 95.1 Ų | 95.1 | 58% | 0.58 | 54% | 0.537 | S | S | * | . | trans | -68.9 | 84.7 | 161.7 | 37.7 | 0 | 0 | 0 | 0 | 109 | V177 D181 | V177-S179 PolarHBondContact O-N 3.44Å; S179-D181 PolarHBondContact O-N 2.8Å | ||
| 180 | F | 32.6 | Very low | 39.1 | Very low | 167 Ų | 167 | 95.8 Ų | 95.8 | 73% | 0.732 | 55% | 0.545 | S | S | * | . | trans | -62.1 | 104 | 156.7 | -84.3 | -75.9 | 0 | 0 | 0 | 107.2 | I178 S182 | I178-F180 HydrophobicContact CB-CD2 4.3Å; I178-F180 HydrophobicContact CB-CE2 4.34Å; I178-F180 HydrophobicContact CG2-CD2 3.48Å; I178-F180 VanDerWaalsContact CG2-CD2 3.48Å; I178-F180 HydrophobicContact CG2-CE2 3.51Å; I178-F180 HydrophobicContact CG2-CG 4.11Å; I178-F180 HydrophobicContact CG2-CZ 4.16Å; I178-F180 PolarHBondContact O-N 3.29Å; F180-S182 PolarHBondContact O-N 3.12Å; F180-S182 PolarHBondContact O-OG 3.44Å | ||
| 181 | D | 25 | Very low | 36.7 | Very low | 131 Ų | 131 | 99.6 Ų | 99.6 | 70% | 0.701 | 56% | 0.561 | S | S | * | * | trans | -75.6 | 79.9 | -179.3 | -161.7 | -12.4 | 0 | 0 | 0 | 108.9 | S179 S183 | S179-D181 PolarHBondContact O-N 2.8Å; D181-S183 PolarHBondContact O-N 3.38Å; D181-S183 WeakPolarHBondContact OD1-CB 3.16Å; D181-S183 PolarHBondContact OD1-OG 3.22Å | ||
| 182 | S | 30.2 | Very low | 34.8 | Very low | 121 Ų | 121 | 102.6 Ų | 102.6 | 85% | 0.846 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 49.3 | -177.9 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | F180 | F180-S182 PolarHBondContact O-N 3.12Å; F180-S182 PolarHBondContact O-OG 3.44Å |
| 183 | S | 26.6 | Very low | 33 | Very low | 76 Ų | 76 | 108.6 Ų | 108.6 | 53% | 0.531 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.4 | 14.3 | -170.3 | 76.4 | 0 | 0 | 0 | 0 | 114 | D181 S185 | D181-S183 PolarHBondContact O-N 3.38Å; D181-S183 WeakPolarHBondContact OD1-CB 3.16Å; D181-S183 PolarHBondContact OD1-OG 3.22Å; S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 3.11Å |
| 184 | S | 26.5 | Very low | 31.4 | Very low | 129 Ų | 129 | 117.8 Ų | 117.8 | 90% | 0.902 | 62% | 0.624 | S | S | * | * | trans | -85.5 | 8.9 | 172.6 | 72 | 0 | 0 | 0 | 0 | 115 | ||||
| 185 | S | 30.9 | Very low | 30.1 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 78% | 0.783 | 63% | 0.631 | S | S | * | * | trans | -112 | 93 | 167.5 | -172 | 0 | 0 | 0 | 0 | 111.3 | S183 | S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 3.11Å | ||
| 186 | S | 27.5 | Very low | 28.7 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | -166 | 87.5 | 165.8 | -89.8 | 0 | 0 | 0 | 0 | 112.5 | K188 | S186-K188 PolarHBondContact O-N 3.02Š| ||
| 187 | D | 24.6 | Very low | 27.9 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -93.4 | 80.6 | 152.3 | -147.1 | -7.5 | 0 | 0 | 0 | 109.9 | ||||
| 188 | K | 28.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 64% | 0.635 | 71% | 0.709 | S | S | * | * | trans | 52.7 | 114.9 | 149.2 | -58.5 | 174.8 | -164.3 | 65.5 | 0 | 119.3 | S186 | S186-K188 PolarHBondContact O-N 3.02Š| ||
| 189 | Q | 28.8 | Very low | 26.3 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | 60 | 143.9 | 120.5 | -67.1 | -179.8 | -37.8 | 0 | 0 | 119.3 | |||||
| 190 | H | 26.5 | Very low | 26 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 60% | 0.602 | 73% | 0.734 | S | S | * | * | cis | -165.9 | 166.8 | 36.5 | -140.3 | -61 | 0 | 0 | 0 | 112.9 | ||||
| 191 | Q | 24.3 | Very low | 25.6 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | trans | 85.6 | 111.6 | 170.7 | -49.5 | -163.4 | 9.8 | 0 | 0 | 113.7 | ||||
| 192 | N | 26.1 | Very low | 25.6 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | cis | 64.7 | 115.1 | 43.8 | -59.1 | -6.2 | 0 | 0 | 0 | 114.3 | ||||
| 193 | Y | 22.4 | Very low | 25.3 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | trans | -149.4 | 107.5 | 137.2 | -120.7 | -90.1 | 0 | 0 | 0 | 111.5 | ||||
| 194 | W | 22.5 | Very low | 25.4 | Very low | 212 Ų | 212 | 139.9 Ų | 139.9 | 80% | 0.803 | 73% | 0.734 | S | S | * | * | trans | 52.3 | 125.5 | 152.9 | -61.5 | 53.6 | 0 | 0 | 0 | 119.5 | ||||
| 195 | S | 23.1 | Very low | 25.5 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | cis | 97 | 94.5 | 22.4 | -54.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 196 | I | 22.9 | Very low | 25.2 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | trans | -143 | 114.1 | 149.3 | -58.1 | -174.7 | 0 | 0 | 0 | 105.2 | ||||
| 197 | S | 21.8 | Very low | 25.2 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | 58.4 | 137.1 | 89.6 | 138.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 198 | N | 23.9 | Very low | 25.4 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | cis | -172.8 | 159.9 | 2.2 | -104.7 | -29.5 | 0 | 0 | 0 | 107.8 | ||||
| 199 | N | 25.3 | Very low | 25.4 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | cis | -165.1 | -164.9 | -15.7 | -154.2 | -78.9 | 0 | 0 | 0 | 108.1 | ||||
| 200 | N | 25.8 | Very low | 25.3 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | 73.8 | 146.8 | 175.3 | -76.4 | -34.5 | 0 | 0 | 0 | 119 | ||||
| 201 | T | 24.7 | Very low | 25.3 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 61% | 0.607 | 76% | 0.758 | S | S | * | * | 173.3 | 137.4 | -52.6 | -86.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 202 | Q | 24.1 | Very low | 25.5 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 77.4 | 157.8 | 162.8 | -86.2 | 177.7 | 16.2 | 0 | 0 | 122.1 | ||||
| 203 | L | 25.7 | Very low | 25.5 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | 67.6 | 127.9 | -178.7 | -82.3 | 72.4 | 0 | 0 | 0 | 116 | ||||
| 204 | M | 27.3 | Very low | 26 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | cis | -140.4 | 134.6 | -6.1 | -75.7 | -157 | 79.7 | 0 | 0 | 112.9 | S206 | M204-S206 VanDerWaalsContact CE-OG 3.25Å; M204-S206 WeakPolarHBondContact CE-OG 3.34Å | ||
| 205 | Q | 28.2 | Very low | 26.2 | Very low | 204 Ų | 204 | 135.4 Ų | 135.4 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | trans | -101.8 | 90.4 | 153.8 | -75.7 | -174.5 | -11.3 | 0 | 0 | 110 | ||||
| 206 | S | 26.1 | Very low | 26.3 | Very low | 67 Ų | 67 | 136.1 Ų | 136.1 | 47% | 0.469 | 78% | 0.779 | S | S | . | * | trans | -174.9 | 96.1 | 157.4 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | M204 | M204-S206 VanDerWaalsContact CE-OG 3.25Å; M204-S206 WeakPolarHBondContact CE-OG 3.34Å | ||
| 207 | A | 26.1 | Very low | 26.5 | Very low | 108 Ų | 108 | 139 Ų | 139 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -162.4 | 21 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 208 | A | 29 | Very low | 26.7 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -107.5 | 74.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 209 | Q | 29.2 | Very low | 26.7 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -169.6 | 150.5 | 160.9 | -113.4 | 164 | 55.6 | 0 | 0 | 113.3 | ||||
| 210 | K | 26.7 | Very low | 26.5 | Very low | 214 Ų | 214 | 145.4 Ų | 145.4 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | 74.5 | 127.9 | -163.1 | -50.8 | 165.5 | -174.7 | 170.9 | 0 | 111.2 | ||||
| 211 | S | 25.7 | Very low | 26.3 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | cis | -136.8 | 150.1 | 10.6 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 212 | A | 27.9 | Very low | 26.2 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -104.5 | 103 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 213 | A | 27 | Very low | 26 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -98.3 | 143.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C215 | A213-C215 PolarHBondContact O-N 2.92Š| ||
| 214 | K | 33.4 | Very low | 25.9 | Very low | 217 Ų | 217 | 147 Ų | 147 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | trans | -73.9 | 122.8 | -172.8 | -61.7 | 166.8 | -176 | 169.4 | 0 | 111.1 | ||||
| 215 | C | 25.3 | Very low | 25.7 | Very low | 125 Ų | 125 | 147 Ų | 147 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -122.7 | 151.5 | 156.8 | -161.2 | 0 | 0 | 0 | 0 | 109.9 | A213 | A213-C215 PolarHBondContact O-N 2.92Š| ||
| 216 | T | 26 | Very low | 25.6 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | trans | -86.2 | 141.8 | -164.8 | 43.6 | 0 | 0 | 0 | 0 | 113.3 | K218 | T216-K218 PolarHBondContact O-N 2.98Š| ||
| 217 | K | 27.5 | Very low | 25.5 | Very low | 216 Ų | 216 | 143 Ų | 143 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -65.1 | 101.7 | 174.5 | -69.2 | -175.1 | 177.1 | -175.3 | 0 | 110.7 | ||||
| 218 | K | 25.5 | Very low | 25.6 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -81.1 | 127.5 | 152.1 | -71.6 | -176.3 | 177.8 | 179.3 | 0 | 108.1 | T216 | T216-K218 PolarHBondContact O-N 2.98Š| ||
| 219 | K | 23.4 | Very low | 25.5 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 77% | 0.774 | 82% | 0.817 | S | S | * | * | trans | -68.1 | 129.8 | 159.1 | -82 | -173.3 | 174.7 | -176 | 0 | 107.4 | V674 | K219-V674 VanDerWaalsContact NZ-CG1 3.29Š| ||
| 220 | V | 22.6 | Very low | 25.3 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -124.3 | 127.4 | 157.3 | 179.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 221 | T | 20.7 | Very low | 25.3 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -82 | 119.5 | 176.7 | -41.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 222 | V | 22.1 | Very low | 25.5 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -77.8 | 132.8 | 169.8 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 223 | L | 20.9 | Very low | 25.4 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -99.6 | 109.1 | 165.3 | -156.3 | 82.1 | 0 | 0 | 0 | 106.5 | V225 | L223-V225 PolarHBondContact O-N 3.29Š| ||
| 224 | E | 22.5 | Very low | 25.4 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -84.9 | 110.3 | -176.2 | -168.7 | 167.2 | -146.2 | 0 | 0 | 108.8 | ||||
| 225 | V | 25.1 | Very low | 24.9 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 147.7 | 167.9 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | L223 | L223-V225 PolarHBondContact O-N 3.29Š|
| 226 | G | 24.4 | Very low | 25 | Very low | 57 Ų | 57 | 144 Ų | 144 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 173.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | A228 | G226-A228 PolarHBondContact O-N 3.14Š|
| 227 | P | 25.3 | Very low | 25 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 134.8 | -171.5 | 25.4 | -35.2 | 0 | 0 | 0 | 112.3 | ||
| 228 | A | 27.6 | Very low | 25.2 | Very low | 95 Ų | 95 | 142.3 Ų | 142.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 142.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G226 E230 | G226-A228 PolarHBondContact O-N 3.14Å; A228-E230 PolarHBondContact O-N 2.7Å |
| 229 | I | 27.6 | Very low | 25.5 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 118.8 | 173.7 | -60.8 | 170.3 | 0 | 0 | 0 | 107.2 | P231 | I229-P231 WeakPolarHBondContact O-CD 2.9Š|
| 230 | E | 24.2 | Very low | 25.9 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 121.8 | 175.2 | -68.8 | -176.3 | 168.7 | 0 | 0 | 110.4 | A228 T232 | A228-E230 PolarHBondContact O-N 2.7Å; E230-T232 VanDerWaalsContact C-N 3.28Å; E230-T232 PolarHBondContact O-N 2.92Å |
| 231 | P | 26.3 | Very low | 26.4 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -81.3 | 73.9 | 176.5 | 33.7 | -34.3 | 0 | 0 | 0 | 110.4 | I229 Q233 | I229-P231 WeakPolarHBondContact O-CD 2.9Å; P231-Q233 PolarHBondContact O-N 3.06Å | ||
| 232 | T | 29.6 | Very low | 27.3 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | -65.9 | 115.7 | 169.5 | 47.1 | 0 | 0 | 0 | 0 | 110 | E230 | E230-T232 VanDerWaalsContact C-N 3.28Å; E230-T232 PolarHBondContact O-N 2.92Å | ||
| 233 | Q | 25.7 | Very low | 28.1 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 75 | 111.7 | -171.8 | -58.9 | -173.9 | -18.8 | 0 | 0 | 115.5 | P231 V235 | P231-Q233 PolarHBondContact O-N 3.06Å; Q233-V235 VanDerWaalsContact C-N 3.34Å; Q233-V235 HydrophobicContact CB-CG2 4.03Å; Q233-V235 PolarHBondContact O-N 2.84Å; Q233-V235 VanDerWaalsContact O-N 3.1Å |
| 234 | L | 28.1 | Very low | 28.7 | Very low | 146 Ų | 146 | 140 Ų | 140 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -78.8 | 83.8 | 165 | -162.4 | 160.6 | 0 | 0 | 0 | 108.4 | Y236 | L234-Y236 HydrophobicContact CD2-CD2 3.35Å; L234-Y236 HydrophobicContact CD2-CE2 3.55Å; L234-Y236 HydrophobicContact CD2-CG 4.36Å; L234-Y236 PolarHBondContact O-N 2.63Å; L234-Y236 VanDerWaalsContact O-N 3.15Å | ||
| 235 | V | 22.6 | Very low | 29.3 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | trans | -76.8 | 98.3 | 179.3 | -178.4 | 0 | 0 | 0 | 0 | 110 | Q233 T237 | Q233-V235 VanDerWaalsContact C-N 3.34Å; Q233-V235 HydrophobicContact CB-CG2 4.03Å; Q233-V235 PolarHBondContact O-N 2.84Å; Q233-V235 VanDerWaalsContact O-N 3.1Å; V235-T237 PolarHBondContact O-N 3.32Å; V235-T237 VanDerWaalsContact O-N 3.08Å | ||
| 236 | Y | 27.2 | Very low | 29.6 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | -70.8 | 93.1 | 165.8 | -103.4 | -80.9 | 0 | 0 | 0 | 110.6 | L234 | L234-Y236 HydrophobicContact CD2-CD2 3.35Å; L234-Y236 HydrophobicContact CD2-CE2 3.55Å; L234-Y236 HydrophobicContact CD2-CG 4.36Å; L234-Y236 PolarHBondContact O-N 2.63Å; L234-Y236 VanDerWaalsContact O-N 3.15Å | ||
| 237 | T | 27.1 | Very low | 30.1 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | trans | -162.1 | 111.4 | 143.2 | 43.4 | 0 | 0 | 0 | 0 | 109.5 | V235 | V235-T237 PolarHBondContact O-N 3.32Å; V235-T237 VanDerWaalsContact O-N 3.08Å | ||
| 238 | R | 30.4 | Very low | 30.4 | Very low | 191 Ų | 191 | 134 Ų | 134 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | trans | -151 | 44.4 | 158.9 | -150.7 | 167 | -178.9 | 149.6 | 9.3 | 111.6 | D241 | R238-D241 IonicContact CZ-OD2 2.63Å; R238-D241 IonicContact NE-OD2 3.7Å; R238-D241 PolarHBondContact NE-OD2 3.15Å; R238-D241 IonicContact NH2-OD1 2.73Å; R238-D241 IonicContact NH2-OD2 3.6Å; R238-D241 PolarHBondContact NH2-OD2 3.13Å | ||
| 239 | E | 31.2 | Very low | 30.6 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 84% | 0.841 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -91.2 | -9.2 | -178.4 | -61.6 | -172.2 | 137.4 | 0 | 0 | 113.1 | ||
| 240 | N | 32.1 | Very low | 30.9 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | trans | -123 | 104.8 | 170.7 | -68.3 | -57.9 | 0 | 0 | 0 | 109 | ||||
| 241 | D | 33.9 | Very low | 31.4 | Very low | 55 Ų | 55 | 126 Ų | 126 | 29% | 0.294 | 66% | 0.657 | S | S | . | * | trans | -147.3 | 25.7 | 173.7 | -129.5 | 7.5 | 0 | 0 | 0 | 111.2 | R238 E243 F244 Q245 | R238-D241 IonicContact CZ-OD2 2.63Å; R238-D241 IonicContact NE-OD2 3.7Å; R238-D241 PolarHBondContact NE-OD2 3.15Å; R238-D241 IonicContact NH2-OD1 2.73Å; R238-D241 IonicContact NH2-OD2 3.6Å; R238-D241 PolarHBondContact NH2-OD2 3.13Å; D241-E243 PolarHBondContact O-N 3.32Å; D241-F244 PolarHBondContact O-N 2.97Å; D241-F244 VanDerWaalsContact O-N 3.12Å; D241-F244 WeakPolarHBondContact OD1-CB 3.46Å; D241-Q245 PolarHBondContact O-N 3.03Å | ||
| 242 | E | 39.1 | Very low | 31.8 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 80% | 0.799 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61 | -34.2 | 175 | -63.2 | -161.9 | 138 | 0 | 0 | 111.4 | F244 Q245 | E242-F244 VanDerWaalsContact C-N 3.32Å; E242-F244 PolarHBondContact O-N 3.43Å; E242-Q245 PolarHBondContact O-N 2.97Å |
| 243 | E | 38.5 | Very low | 32.1 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 85% | 0.85 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.6 | -33.5 | 174.2 | -60.9 | -169.9 | 146 | 0 | 0 | 112.5 | D241 G246 | D241-E243 PolarHBondContact O-N 3.32Å; E243-G246 PolarHBondContact O-N 3.25Å; E243-G246 VanDerWaalsContact O-N 3.09Å |
| 244 | F | 35.2 | Very low | 32.6 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 51% | 0.509 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -79.4 | -15.5 | 179.3 | -106.6 | -76.5 | 0 | 0 | 0 | 114.6 | D241 E242 G246 S247 | D241-F244 PolarHBondContact O-N 2.97Å; D241-F244 VanDerWaalsContact O-N 3.12Å; D241-F244 WeakPolarHBondContact OD1-CB 3.46Å; E242-F244 VanDerWaalsContact C-N 3.32Å; E242-F244 PolarHBondContact O-N 3.43Å; F244-G246 PolarHBondContact O-N 3.02Å; F244-S247 PolarHBondContact O-N 2.89Å |
| 245 | Q | 33.9 | Very low | 33.2 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62 | -32.1 | 162.8 | -65 | -161 | 23.6 | 0 | 0 | 111.1 | D241 E242 L249 | D241-Q245 PolarHBondContact O-N 3.03Å; E242-Q245 PolarHBondContact O-N 2.97Å; Q245-L249 WeakPolarHBondContact O-CB 3.46Å; Q245-L249 PolarHBondContact O-N 2.76Å |
| 246 | G | 30.5 | Very low | 33.8 | Very low | 41 Ų | 41 | 123.1 Ų | 123.1 | 42% | 0.423 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.9 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E243 F244 L249 S250 | E243-G246 PolarHBondContact O-N 3.25Å; E243-G246 VanDerWaalsContact O-N 3.09Å; F244-G246 PolarHBondContact O-N 3.02Å; G246-L249 PolarHBondContact O-N 3.01Å; G246-S250 WeakPolarHBondContact O-CB 3.48Å; G246-S250 PolarHBondContact O-N 2.9Å |
| 247 | S | 35.8 | Very low | 34.3 | Very low | 67 Ų | 67 | 117.9 Ų | 117.9 | 47% | 0.469 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.5 | -47.7 | -172 | -170.2 | 0 | 0 | 0 | 0 | 113.5 | F244 S251 | F244-S247 PolarHBondContact O-N 2.89Å; S247-S251 PolarHBondContact O-N 2.73Å |
| 248 | L | 31.3 | Very low | 34.8 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 68% | 0.681 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -80 | -14.2 | -179.2 | -76.9 | 170.1 | 0 | 0 | 0 | 114.3 | ||
| 249 | L | 32.6 | Very low | 35.2 | Very low | 113 Ų | 113 | 117.9 Ų | 117.9 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -89.7 | -34.7 | 170 | -77 | 166.4 | 0 | 0 | 0 | 112.3 | Q245 G246 F252 G253 | Q245-L249 WeakPolarHBondContact O-CB 3.46Å; Q245-L249 PolarHBondContact O-N 2.76Å; G246-L249 PolarHBondContact O-N 3.01Å; L249-F252 PolarHBondContact O-N 3.26Å; L249-G253 WeakPolarHBondContact O-CA 3.46Å; L249-G253 PolarHBondContact O-N 2.74Å |
| 250 | S | 33.1 | Very low | 35.8 | Very low | 64 Ų | 64 | 112.6 Ų | 112.6 | 45% | 0.448 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.1 | -46.5 | 174.1 | 170 | 0 | 0 | 0 | 0 | 111.6 | G246 F252 G253 E254 | G246-S250 WeakPolarHBondContact O-CB 3.48Å; G246-S250 PolarHBondContact O-N 2.9Å; S250-F252 PolarHBondContact O-N 3.36Å; S250-G253 PolarHBondContact O-N 2.92Å; S250-E254 PolarHBondContact O-N 2.94Å |
| 251 | S | 34.3 | Very low | 36 | Very low | 75 Ų | 75 | 112.6 Ų | 112.6 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.8 | -3.7 | -177.9 | 67 | 0 | 0 | 0 | 0 | 115.7 | S247 | S247-S251 PolarHBondContact O-N 2.73Å |
| 252 | F | 35.7 | Very low | 36.1 | Very low | 183 Ų | 183 | 113.2 Ų | 113.2 | 80% | 0.803 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -129.8 | 4.9 | 168.6 | -71.1 | -79.1 | 0 | 0 | 0 | 113 | L249 S250 | L249-F252 PolarHBondContact O-N 3.26Å; S250-F252 PolarHBondContact O-N 3.36Å |
| 253 | G | 36 | Very low | 35.9 | Very low | 57 Ų | 57 | 108.2 Ų | 108.2 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -104.3 | -34.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L249 S250 V255 | L249-G253 WeakPolarHBondContact O-CA 3.46Å; L249-G253 PolarHBondContact O-N 2.74Å; S250-G253 PolarHBondContact O-N 2.92Å; G253-V255 PolarHBondContact O-N 3.05Å |
| 254 | E | 36.1 | Very low | 36 | Very low | 166 Ų | 166 | 106.1 Ų | 106.1 | 78% | 0.776 | 57% | 0.573 | S | S | * | * | trans | -77.4 | 106.7 | 172.2 | -70.5 | -159.8 | 126.8 | 0 | 0 | 111 | S250 D256 | S250-E254 PolarHBondContact O-N 2.94Å; E254-D256 PolarHBondContact O-N 3.49Å | ||
| 255 | V | 39.8 | Very low | 36 | Very low | 104 Ų | 104 | 107.9 Ų | 107.9 | 63% | 0.63 | 59% | 0.586 | S | S | * | * | trans | -65.5 | 112.1 | 155.3 | 177.8 | 0 | 0 | 0 | 0 | 106.6 | G253 D257 V260 | G253-V255 PolarHBondContact O-N 3.05Å; V255-D257 PolarHBondContact O-N 3.43Å; V255-V260 HydrophobicContact CB-CG2 4.33Å; V255-V260 HydrophobicContact CG1-CG2 3.97Å | ||
| 256 | D | 35.7 | Very low | 36.2 | Very low | 89 Ų | 89 | 104.2 Ų | 104.2 | 48% | 0.476 | 59% | 0.586 | S | S | . | * | trans | -34.6 | 124.3 | 174.3 | 173.8 | 6.4 | 0 | 0 | 0 | 111.1 | E254 Y258 Y259 V260 | E254-D256 PolarHBondContact O-N 3.49Å; D256-Y258 PolarHBondContact O-N 3.35Å; D256-Y258 VanDerWaalsContact O-N 3.11Å; D256-Y258 VanDerWaalsContact OD1-CB 3.22Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.49Å; D256-Y258 PolarHBondContact OD1-N 3.36Å; D256-Y259 HydrophobicContact CB-CD2 4.35Å; D256-Y259 CarbonylContact O-C 3.47Å; D256-Y259 VanDerWaalsContact O-CA 3.29Å; D256-Y259 WeakPolarHBondContact O-CA 3.34Å; D256-Y259 VanDerWaalsContact O-CB 3.24Å; D256-Y259 WeakPolarHBondContact O-CB 3.34Å; D256-Y259 PolarHBondContact O-N 3.43Å; D256-V260 PolarHBondContact O-N 3.33Å | ||
| 257 | D | 37.2 | Very low | 36.3 | Very low | 87 Ų | 87 | 112.6 Ų | 112.6 | 47% | 0.465 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.1 | -22.5 | -177.6 | -175.7 | 35.8 | 0 | 0 | 0 | 111.5 | V255 V260 K261 | V255-D257 PolarHBondContact O-N 3.43Å; D257-V260 PolarHBondContact O-N 3.05Å; D257-K261 VanDerWaalsContact CG-NZ 3.35Å; D257-K261 VanDerWaalsContact O-CB 3.3Å; D257-K261 WeakPolarHBondContact O-CB 3.43Å; D257-K261 WeakPolarHBondContact O-CD 3.4Å; D257-K261 VanDerWaalsContact O-CG 3.24Å; D257-K261 WeakPolarHBondContact O-CG 3.49Å; D257-K261 PolarHBondContact O-N 3.04Å; D257-K261 WeakPolarHBondContact OD1-CE 3.16Å; D257-K261 IonicContact OD1-NZ 2.75Å; D257-K261 PolarHBondContact OD1-NZ 3.25Å; D257-K261 VanDerWaalsContact OD2-CE 3.32Å; D257-K261 WeakPolarHBondContact OD2-CE 3.42Å; D257-K261 IonicContact OD2-NZ 3.87Å; D257-K261 PolarHBondContact OD2-NZ 3.01Å |
| 258 | Y | 38.1 | Very low | 36.3 | Very low | 154 Ų | 154 | 115.9 Ų | 115.9 | 60% | 0.604 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.4 | -40.9 | 165.6 | -176.6 | -97.4 | 0 | 0 | 0 | 112.6 | D256 K261 T262 | D256-Y258 PolarHBondContact O-N 3.35Å; D256-Y258 VanDerWaalsContact O-N 3.11Å; D256-Y258 VanDerWaalsContact OD1-CB 3.22Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.49Å; D256-Y258 PolarHBondContact OD1-N 3.36Å; Y258-K261 PolarHBondContact O-N 2.66Å; Y258-T262 HydrophobicContact CD1-CG2 4.28Å; Y258-T262 HydrophobicContact CD2-CG2 4.21Å; Y258-T262 HydrophobicContact CE1-CG2 3.97Å; Y258-T262 HydrophobicContact CE2-CG2 3.91Å; Y258-T262 HydrophobicContact CG-CG2 4.39Å; Y258-T262 VanDerWaalsContact O-CB 3.32Å; Y258-T262 WeakPolarHBondContact O-CB 3.35Å; Y258-T262 WeakPolarHBondContact O-CG2 3.08Å; Y258-T262 PolarHBondContact O-N 3.04Å; Y258-T262 PolarHBondContact O-OG1 3.26Å |
| 259 | Y | 38.1 | Very low | 36.4 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 59% | 0.592 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.7 | -38.4 | 171.6 | -100.6 | -91.9 | 0 | 0 | 0 | 112.1 | D256 K261 T262 S263 | D256-Y259 HydrophobicContact CB-CD2 4.35Å; D256-Y259 CarbonylContact O-C 3.47Å; D256-Y259 VanDerWaalsContact O-CA 3.29Å; D256-Y259 WeakPolarHBondContact O-CA 3.34Å; D256-Y259 VanDerWaalsContact O-CB 3.24Å; D256-Y259 WeakPolarHBondContact O-CB 3.34Å; D256-Y259 PolarHBondContact O-N 3.43Å; Y259-K261 VanDerWaalsContact C-N 3.27Å; Y259-K261 PolarHBondContact O-N 3.5Å; Y259-T262 PolarHBondContact O-N 2.74Å; Y259-S263 WeakPolarHBondContact O-CB 3.36Å; Y259-S263 PolarHBondContact O-N 3.4Å |
| 260 | V | 44.5 | Very low | 36.4 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 41% | 0.412 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.1 | -34.6 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | V255 D256 D257 | V255-V260 HydrophobicContact CB-CG2 4.33Å; V255-V260 HydrophobicContact CG1-CG2 3.97Å; D256-V260 PolarHBondContact O-N 3.33Å; D257-V260 PolarHBondContact O-N 3.05Å |
| 261 | K | 36.6 | Very low | 36.4 | Very low | 153 Ų | 153 | 126 Ų | 126 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -86.8 | -22.9 | 179.8 | -71.8 | 165.4 | -179.8 | 168.8 | 0 | 114.5 | D257 Y258 Y259 | D257-K261 VanDerWaalsContact CG-NZ 3.35Å; D257-K261 VanDerWaalsContact O-CB 3.3Å; D257-K261 WeakPolarHBondContact O-CB 3.43Å; D257-K261 WeakPolarHBondContact O-CD 3.4Å; D257-K261 VanDerWaalsContact O-CG 3.24Å; D257-K261 WeakPolarHBondContact O-CG 3.49Å; D257-K261 PolarHBondContact O-N 3.04Å; D257-K261 WeakPolarHBondContact OD1-CE 3.16Å; D257-K261 IonicContact OD1-NZ 2.75Å; D257-K261 PolarHBondContact OD1-NZ 3.25Å; D257-K261 VanDerWaalsContact OD2-CE 3.32Å; D257-K261 WeakPolarHBondContact OD2-CE 3.42Å; D257-K261 IonicContact OD2-NZ 3.87Å; D257-K261 PolarHBondContact OD2-NZ 3.01Å; Y258-K261 PolarHBondContact O-N 2.66Å; Y259-K261 VanDerWaalsContact C-N 3.27Å; Y259-K261 PolarHBondContact O-N 3.5Å |
| 262 | T | 35.7 | Very low | 36.3 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 42% | 0.417 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -105.5 | -14.6 | -179 | 59 | 0 | 0 | 0 | 0 | 115 | Y258 Y259 T264 | Y258-T262 HydrophobicContact CD1-CG2 4.28Å; Y258-T262 HydrophobicContact CD2-CG2 4.21Å; Y258-T262 HydrophobicContact CE1-CG2 3.97Å; Y258-T262 HydrophobicContact CE2-CG2 3.91Å; Y258-T262 HydrophobicContact CG-CG2 4.39Å; Y258-T262 VanDerWaalsContact O-CB 3.32Å; Y258-T262 WeakPolarHBondContact O-CB 3.35Å; Y258-T262 WeakPolarHBondContact O-CG2 3.08Å; Y258-T262 PolarHBondContact O-N 3.04Å; Y258-T262 PolarHBondContact O-OG1 3.26Å; Y259-T262 PolarHBondContact O-N 2.74Å; T262-T264 PolarHBondContact O-N 2.92Å |
| 263 | S | 34.4 | Very low | 36.1 | Very low | 65 Ų | 65 | 130 Ų | 130 | 46% | 0.455 | 67% | 0.668 | S | S | . | * | trans | -70.9 | 101.5 | 174.9 | -173 | 0 | 0 | 0 | 0 | 111.6 | Y259 I265 | Y259-S263 WeakPolarHBondContact O-CB 3.36Å; Y259-S263 PolarHBondContact O-N 3.4Å; S263-I265 PolarHBondContact O-N 3.31Å | ||
| 264 | T | 42.2 | Very low | 35.8 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 85% | 0.847 | 68% | 0.681 | S | S | * | * | trans | -79.5 | 5.4 | 176.9 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | T262 | T262-T264 PolarHBondContact O-N 2.92Š| ||
| 265 | I | 35.1 | Very low | 35.6 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -95.1 | 104.6 | -176.9 | -58.1 | 177.9 | 0 | 0 | 0 | 109.7 | S263 | S263-I265 PolarHBondContact O-N 3.31Š|
| 266 | G | 38.3 | Very low | 35.2 | Very low | 63 Ų | 63 | 142.1 Ų | 142.1 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 122.7 | -14.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | T268 | G266-T268 PolarHBondContact O-N 3.02Š|
| 267 | R | 32.7 | Very low | 35.1 | Very low | 216 Ų | 216 | 146.4 Ų | 146.4 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -79.1 | 58.7 | 179.3 | -71.6 | -168.7 | 179.9 | -168.6 | 1.7 | 113.7 | R269 | R267-R269 PolarHBondContact O-N 3.14Š| ||
| 268 | T | 34.5 | Very low | 34.9 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | trans | -71.9 | 93.1 | 165.1 | 49 | 0 | 0 | 0 | 0 | 110.1 | G266 | G266-T268 PolarHBondContact O-N 3.02Š| ||
| 269 | R | 32.7 | Very low | 34.6 | Very low | 225 Ų | 225 | 147.6 Ų | 147.6 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 139.4 | 169.7 | -162.7 | -179.3 | -163.5 | 179.7 | 5.4 | 109.8 | R267 Q271 | R267-R269 PolarHBondContact O-N 3.14Å; R269-Q271 PolarHBondContact O-N 3.11Å; R269-Q271 VanDerWaalsContact O-N 3.14Å |
| 270 | P | 33.9 | Very low | 34.5 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 121.1 | 175.9 | -26.6 | 35.1 | 0 | 0 | 0 | 111.4 | ||
| 271 | Q | 32.4 | Very low | 33.9 | Very low | 175 Ų | 175 | 154 Ų | 154 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 126.7 | 172.6 | -84.9 | -83.9 | 3.5 | 0 | 0 | 109.2 | R269 R273 | R269-Q271 PolarHBondContact O-N 3.11Å; R269-Q271 VanDerWaalsContact O-N 3.14Å; Q271-R273 PolarHBondContact O-N 3.46Å |
| 272 | P | 33.1 | Very low | 33.9 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64 | 135 | 171.8 | 27.9 | -33 | 0 | 0 | 0 | 109.2 | ||
| 273 | R | 31 | Very low | 33.6 | Very low | 234 Ų | 234 | 155.1 Ų | 155.1 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 134.6 | 176.8 | -71.1 | -178.8 | 177 | 171.4 | -0.8 | 109.7 | Q271 K275 | Q271-R273 PolarHBondContact O-N 3.46Å; R273-K275 PolarHBondContact O-N 3.15Å; R273-K275 VanDerWaalsContact O-N 3.11Å |
| 274 | P | 30.2 | Very low | 33.5 | Very low | 132 Ų | 132 | 160.6 Ų | 160.6 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 117.7 | 179.8 | 24.9 | -33.5 | 0 | 0 | 0 | 109.9 | ||
| 275 | K | 31.8 | Very low | 32.9 | Very low | 204 Ų | 204 | 161.1 Ų | 161.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 138.4 | 168.8 | -75.4 | -174.8 | 176.7 | -179.9 | 0 | 108.9 | R273 E277 | R273-K275 PolarHBondContact O-N 3.15Å; R273-K275 VanDerWaalsContact O-N 3.11Å; K275-E277 PolarHBondContact O-N 3.22Å |
| 276 | R | 31.9 | Very low | 33 | Very low | 246 Ų | 246 | 160.3 Ų | 160.3 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126.7 | -179.3 | -166.6 | 179.1 | -164.8 | 135.8 | -1.9 | 110.6 | ||
| 277 | E | 32.9 | Very low | 32.6 | Very low | 179 Ų | 179 | 166.5 Ų | 166.5 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 141.7 | 176.8 | -66.8 | -172.8 | 166.8 | 0 | 0 | 112.2 | K275 | K275-E277 PolarHBondContact O-N 3.22Š|
| 278 | P | 33.7 | Very low | 32.4 | Very low | 114 Ų | 114 | 160.4 Ų | 160.4 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | trans | -113.7 | 117.2 | 155.7 | 33.4 | -20.7 | 0 | 0 | 0 | 111.2 | ||||
| 279 | N | 30.3 | Very low | 32.2 | Very low | 152 Ų | 152 | 158.8 Ų | 158.8 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | 37.7 | 116.6 | 158.1 | -61.4 | -8.5 | 0 | 0 | 0 | 120.1 | L281 | N279-L281 PolarHBondContact O-N 3.12Š| ||
| 280 | Q | 36.1 | Very low | 32 | Very low | 198 Ų | 198 | 156.7 Ų | 156.7 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -65.8 | 100.7 | 154.3 | -63.9 | -178.7 | 16.4 | 0 | 0 | 110.2 | ||||
| 281 | L | 33.1 | Very low | 31.7 | Very low | 155 Ų | 155 | 157 Ų | 157 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -163.7 | 76.4 | 164.4 | -113 | 178 | 0 | 0 | 0 | 111.9 | N279 | N279-L281 PolarHBondContact O-N 3.12Š| ||
| 282 | T | 35.1 | Very low | 31.6 | Very low | 144 Ų | 144 | 154.7 Ų | 154.7 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -161.9 | 116.3 | 149.8 | 1.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 283 | S | 30.2 | Very low | 31.3 | Very low | 101 Ų | 101 | 157.3 Ų | 157.3 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -73.9 | 169 | 175.3 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 284 | M | 31.3 | Very low | 31.1 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | 4.7 | 118.6 | 144.8 | -65.2 | 153.3 | 49.1 | 0 | 0 | 116.5 | ||||
| 285 | D | 29.8 | Very low | 31 | Very low | 149 Ų | 149 | 155.4 Ų | 155.4 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -153.3 | 163.7 | 145.3 | -143.9 | -18.6 | 0 | 0 | 0 | 112.4 | ||||
| 286 | M | 37.2 | Very low | 30.8 | Very low | 137 Ų | 137 | 153.9 Ų | 153.9 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | 60 | 67 | 163.2 | -57.3 | -60 | -82.8 | 0 | 0 | 118.2 | S288 | M286-S288 VanDerWaalsContact C-N 3.3Å; M286-S288 PolarHBondContact O-N 3.22Å; M286-S288 VanDerWaalsContact O-N 3.16Å | ||
| 287 | M | 31.3 | Very low | 30.7 | Very low | 192 Ų | 192 | 147.9 Ų | 147.9 | 95% | 0.946 | 78% | 0.784 | S | S | * | * | trans | -69.4 | 90.5 | 138.7 | -71 | -173.3 | -63.4 | 0 | 0 | 108.9 | ||||
| 288 | S | 27.4 | Very low | 30.6 | Very low | 89 Ų | 89 | 147 Ų | 147 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | trans | -164.5 | 103.3 | 174.5 | -80.1 | 0 | 0 | 0 | 0 | 112.4 | M286 | M286-S288 VanDerWaalsContact C-N 3.3Å; M286-S288 PolarHBondContact O-N 3.22Å; M286-S288 VanDerWaalsContact O-N 3.16Å | ||
| 289 | A | 29.7 | Very low | 30.3 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 161.7 | 65.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 290 | E | 29.6 | Very low | 30 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -84.4 | 152.1 | 142.3 | -69.2 | -168.7 | 125.8 | 0 | 0 | 107.8 | ||||
| 291 | L | 27.5 | Very low | 29.6 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 67% | 0.665 | 78% | 0.78 | S | S | * | * | trans | 68.6 | 151.9 | 172.6 | -53.8 | 157.9 | 0 | 0 | 0 | 114 | K293 | L291-K293 HydrophobicContact CD2-CD 4.49Š| ||
| 292 | D | 29.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | cis | -128.4 | 144.4 | -3.6 | -93.6 | -45.9 | 0 | 0 | 0 | 108.5 | ||||
| 293 | K | 27 | Very low | 29.1 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 70% | 0.704 | 77% | 0.774 | S | S | * | * | 66.7 | 107.3 | 65.2 | -67.2 | -174.8 | -173.7 | 151.9 | 0 | 117.1 | L291 | L291-K293 HydrophobicContact CD2-CD 4.49Š| |||
| 294 | S | 27.1 | Very low | 29.3 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | 89.8 | 156.7 | 129.4 | 82.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 295 | R | 27.1 | Very low | 29.4 | Very low | 221 Ų | 221 | 143.6 Ų | 143.6 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | 83.1 | 119.5 | -178.5 | -55.1 | 176.1 | 178 | -163.5 | -4.1 | 112.7 | ||||
| 296 | H | 29.1 | Very low | 29.7 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | S | Bend | cis | -127.8 | 163.2 | 17.5 | -66.1 | -95.3 | 0 | 0 | 0 | 111.3 | ||
| 297 | T | 30.1 | Very low | 29.7 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -151.8 | 160.6 | 4.3 | -12.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 298 | M | 29.1 | Very low | 30.1 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -19.1 | 163 | 152.7 | -72.9 | 168.4 | 149.9 | 0 | 0 | 119.4 | ||||
| 299 | E | 27.4 | Very low | 31 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | cis | 179 | 153.5 | -27.9 | -116.6 | 179.1 | 140.7 | 0 | 0 | 106.6 | ||||
| 300 | G | 25.8 | Very low | 31.6 | Very low | 84 Ų | 84 | 143 Ų | 143 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | 153.8 | 93 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 301 | S | 26.7 | Very low | 32.4 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -86.5 | 157.7 | -170.8 | -166.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 302 | M | 26.7 | Very low | 33.2 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | trans | 72.6 | 135.3 | 168.4 | -45.7 | -172.4 | -77 | 0 | 0 | 115.7 | ||||
| 303 | R | 31.5 | Very low | 33.8 | Very low | 208 Ų | 208 | 135 Ų | 135 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | cis | -149.9 | 160.8 | 37.4 | -86.6 | -172.4 | 178.6 | 145.1 | 2.7 | 114.9 | ||||
| 304 | D | 33.4 | Very low | 34.6 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | 46.2 | 96.5 | 146.5 | -47.3 | -22.7 | 0 | 0 | 0 | 117.2 | ||||
| 305 | A | 34.3 | Very low | 35.3 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | cis | 67.8 | 35 | 34.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 306 | Q | 35.8 | Very low | 36.1 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | trans | -157.4 | 104.9 | 162.7 | -116.5 | 168 | 67.8 | 0 | 0 | 113 | ||||
| 307 | T | 37.4 | Very low | 36.8 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 85% | 0.847 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 178.9 | -38.3 | 151.7 | 18.1 | 0 | 0 | 0 | 0 | 113.1 | S309 | T307-S309 PolarHBondContact O-N 3.21Š|
| 308 | S | 38.8 | Very low | 37.3 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -11 | 179.6 | 52.1 | 0 | 0 | 0 | 0 | 114.5 | F310 | S308-F310 VanDerWaalsContact C-N 3.31Å; S308-F310 PolarHBondContact O-N 3.04Å |
| 309 | S | 47.6 | Very low | 38.2 | Very low | 77 Ų | 77 | 126.9 Ų | 126.9 | 54% | 0.538 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | 0.2 | -167.2 | 57.7 | 0 | 0 | 0 | 0 | 116.2 | T307 A313 | T307-S309 PolarHBondContact O-N 3.21Å; S309-A313 WeakPolarHBondContact O-CB 3.43Å |
| 310 | F | 42.2 | Very low | 39 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -41.4 | -179.3 | -134.9 | -92.7 | 0 | 0 | 0 | 113.8 | S308 A313 A314 | S308-F310 VanDerWaalsContact C-N 3.31Å; S308-F310 PolarHBondContact O-N 3.04Å; F310-A313 PolarHBondContact O-N 3.05Å; F310-A314 WeakPolarHBondContact O-CB 3.31Å; F310-A314 PolarHBondContact O-N 3.33Å |
| 311 | L | 46.6 | Very low | 39.7 | Very low | 138 Ų | 138 | 124.2 Ų | 124.2 | 72% | 0.723 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.4 | -39.1 | -179.3 | -72.1 | 174.3 | 0 | 0 | 0 | 112.3 | A314 R315 | L311-A314 PolarHBondContact O-N 3.16Å; L311-R315 WeakPolarHBondContact O-CB 3.41Å; L311-R315 PolarHBondContact O-N 3.43Å |
| 312 | D | 43.4 | Very low | 40.4 | Very low | 83 Ų | 83 | 126 Ų | 126 | 44% | 0.444 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -74.6 | -26.8 | 171.7 | -83.7 | -47.3 | 0 | 0 | 0 | 113 | R315 V316 | D312-R315 PolarHBondContact O-N 3.26Å; D312-R315 WeakPolarHBondContact OD1-CD 3.49Å; D312-R315 IonicContact OD1-CZ 3.61Å; D312-R315 IonicContact OD1-NE 3.85Å; D312-R315 IonicContact OD1-NH1 2.7Å; D312-R315 PolarHBondContact OD1-NH1 3.2Å; D312-R315 IonicContact OD2-NH1 3.69Å; D312-V316 VanDerWaalsContact O-CB 3.29Å; D312-V316 WeakPolarHBondContact O-CB 3.32Å; D312-V316 VanDerWaalsContact O-CG2 3.25Å; D312-V316 WeakPolarHBondContact O-CG2 3.27Å; D312-V316 PolarHBondContact O-N 3.02Å |
| 313 | A | 43.5 | Very low | 40.9 | Very low | 46 Ų | 46 | 120.5 Ų | 120.5 | 38% | 0.38 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.7 | -37.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S309 F310 R317 | S309-A313 WeakPolarHBondContact O-CB 3.43Å; F310-A313 PolarHBondContact O-N 3.05Å; A313-R317 VanDerWaalsContact O-CB 3.31Å; A313-R317 WeakPolarHBondContact O-CB 3.41Å; A313-R317 WeakPolarHBondContact O-CG 3.19Å; A313-R317 PolarHBondContact O-N 3.43Å |
| 314 | A | 42.6 | Very low | 41.2 | Very low | 50 Ų | 50 | 114.8 Ų | 114.8 | 41% | 0.413 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.4 | -44.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F310 L311 V316 R317 M318 | F310-A314 WeakPolarHBondContact O-CB 3.31Å; F310-A314 PolarHBondContact O-N 3.33Å; L311-A314 PolarHBondContact O-N 3.16Å; A314-V316 PolarHBondContact O-N 3.38Å; A314-R317 PolarHBondContact O-N 3.03Å; A314-M318 WeakPolarHBondContact O-CB 3.39Å; A314-M318 PolarHBondContact O-N 3.41Å |
| 315 | R | 41.9 | Very low | 41.4 | Very low | 149 Ų | 149 | 112.3 Ų | 112.3 | 56% | 0.562 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64 | -39 | 178.4 | -166.2 | 178.8 | -73.7 | 146.6 | -11.5 | 112.4 | L311 D312 K319 | L311-R315 WeakPolarHBondContact O-CB 3.41Å; L311-R315 PolarHBondContact O-N 3.43Å; D312-R315 PolarHBondContact O-N 3.26Å; D312-R315 WeakPolarHBondContact OD1-CD 3.49Å; D312-R315 IonicContact OD1-CZ 3.61Å; D312-R315 IonicContact OD1-NE 3.85Å; D312-R315 IonicContact OD1-NH1 2.7Å; D312-R315 PolarHBondContact OD1-NH1 3.2Å; D312-R315 IonicContact OD2-NH1 3.69Å; R315-K319 PolarHBondContact O-N 2.98Å; R315-K319 VanDerWaalsContact O-N 3.13Å |
| 316 | V | 43.8 | Very low | 41.5 | Very low | 74 Ų | 74 | 115.5 Ų | 115.5 | 45% | 0.448 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.1 | -45.6 | 173.1 | 169.7 | 0 | 0 | 0 | 0 | 111 | D312 A314 M318 K319 Q320 | D312-V316 VanDerWaalsContact O-CB 3.29Å; D312-V316 WeakPolarHBondContact O-CB 3.32Å; D312-V316 VanDerWaalsContact O-CG2 3.25Å; D312-V316 WeakPolarHBondContact O-CG2 3.27Å; D312-V316 PolarHBondContact O-N 3.02Å; A314-V316 PolarHBondContact O-N 3.38Å; V316-M318 VanDerWaalsContact C-N 3.32Å; V316-M318 PolarHBondContact O-N 3.06Å; V316-K319 PolarHBondContact O-N 3.43Å; V316-Q320 HydrophobicContact CG1-CG 4.25Å; V316-Q320 WeakPolarHBondContact O-CB 3.44Å; V316-Q320 WeakPolarHBondContact O-CG 3.4Å; V316-Q320 PolarHBondContact O-N 3.39Å |
| 317 | R | 43.7 | Very low | 41.4 | Very low | 193 Ų | 193 | 111.8 Ų | 111.8 | 73% | 0.728 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.7 | -39.1 | 176.1 | -81.8 | -177.4 | 170 | 178.3 | -1.9 | 112.7 | A313 A314 Q320 S321 | A313-R317 VanDerWaalsContact O-CB 3.31Å; A313-R317 WeakPolarHBondContact O-CB 3.41Å; A313-R317 WeakPolarHBondContact O-CG 3.19Å; A313-R317 PolarHBondContact O-N 3.43Å; A314-R317 PolarHBondContact O-N 3.03Å; R317-Q320 PolarHBondContact O-N 3.24Å; R317-S321 PolarHBondContact O-N 3.25Å; R317-S321 PolarHBondContact O-OG 3.25Å |
| 318 | M | 41 | Very low | 41.3 | Very low | 137 Ų | 137 | 112.5 Ų | 112.5 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.2 | -31.9 | 178.6 | -165.2 | 174.2 | -72.7 | 0 | 0 | 113 | A314 V316 S321 | A314-M318 WeakPolarHBondContact O-CB 3.39Å; A314-M318 PolarHBondContact O-N 3.41Å; V316-M318 VanDerWaalsContact C-N 3.32Å; V316-M318 PolarHBondContact O-N 3.06Å; M318-S321 WeakPolarHBondContact CA-OG 3.2Å; M318-S321 PolarHBondContact O-OG 3.41Å |
| 319 | K | 47.3 | Very low | 40.8 | Very low | 166 Ų | 166 | 111 Ų | 111 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76 | -29.2 | 169.3 | -75.8 | -171.8 | 173.2 | -176.2 | 0 | 112.8 | R315 V316 G323 | R315-K319 PolarHBondContact O-N 2.98Å; R315-K319 VanDerWaalsContact O-N 3.13Å; V316-K319 PolarHBondContact O-N 3.43Å; K319-G323 PolarHBondContact O-N 3Å |
| 320 | Q | 44.8 | Very low | 39.9 | Very low | 120 Ų | 120 | 115.7 Ų | 115.7 | 56% | 0.561 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.9 | -30.2 | 172.5 | -74.7 | 176 | -16 | 0 | 0 | 112.5 | V316 R317 I322 G323 A324 | V316-Q320 HydrophobicContact CG1-CG 4.25Å; V316-Q320 WeakPolarHBondContact O-CB 3.44Å; V316-Q320 WeakPolarHBondContact O-CG 3.4Å; V316-Q320 PolarHBondContact O-N 3.39Å; R317-Q320 PolarHBondContact O-N 3.24Å; Q320-I322 PolarHBondContact O-N 2.98Å; Q320-G323 PolarHBondContact O-N 2.98Å; Q320-A324 WeakPolarHBondContact O-CB 3.47Å; Q320-A324 PolarHBondContact O-N 3.07Å |
| 321 | S | 40.2 | Very low | 39.1 | Very low | 83 Ų | 83 | 111.9 Ų | 111.9 | 58% | 0.58 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.9 | -8.1 | 176.8 | 61 | 0 | 0 | 0 | 0 | 115.1 | R317 M318 | R317-S321 PolarHBondContact O-N 3.25Å; R317-S321 PolarHBondContact O-OG 3.25Å; M318-S321 WeakPolarHBondContact CA-OG 3.2Å; M318-S321 PolarHBondContact O-OG 3.41Å |
| 322 | I | 40.9 | Very low | 38.1 | Very low | 145 Ų | 145 | 110.1 Ų | 110.1 | 74% | 0.744 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -105.7 | -20.3 | 172.7 | -60 | 179.8 | 0 | 0 | 0 | 111.3 | Q320 | Q320-I322 PolarHBondContact O-N 2.98Å |
| 323 | G | 38.1 | Very low | 37.4 | Very low | 46 Ų | 46 | 114.2 Ų | 114.2 | 47% | 0.474 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -81.3 | -37.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K319 Q320 A325 H326 | K319-G323 PolarHBondContact O-N 3Å; Q320-G323 PolarHBondContact O-N 2.98Å; G323-A325 PolarHBondContact O-N 3.31Å; G323-H326 PolarHBondContact O-N 2.99Å |
| 324 | A | 37.3 | Very low | 36.6 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 31.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q320 | Q320-A324 WeakPolarHBondContact O-CB 3.47Å; Q320-A324 PolarHBondContact O-N 3.07Å |
| 325 | A | 39.3 | Very low | 36.8 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -10.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G323 | G323-A325 PolarHBondContact O-N 3.31Š|
| 326 | H | 36.4 | Very low | 36.5 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 78% | 0.778 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -131.6 | 143.7 | 175.6 | -73.9 | -88.4 | 0 | 0 | 0 | 110.9 | G323 | G323-H326 PolarHBondContact O-N 2.99Š|
| 327 | A | 32.3 | Very low | 35.8 | Very low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | 64.7 | 60.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 328 | V | 36.7 | Very low | 35.2 | Very low | 152 Ų | 152 | 119 Ų | 119 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -67.8 | 126.4 | 131.3 | 171.1 | 0 | 0 | 0 | 0 | 107.3 | ||
| 329 | G | 26.6 | Very low | 35.2 | Very low | 70 Ų | 70 | 117.8 Ų | 117.8 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 70.9 | 78 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | A331 | G329-A331 PolarHBondContact O-N 3.47Š| ||
| 330 | L | 30.1 | Very low | 34.3 | Very low | 175 Ų | 175 | 116 Ų | 116 | 92% | 0.916 | 74% | 0.737 | S | S | * | * | trans | -78.7 | 103.4 | 149.7 | -88.6 | 175.9 | 0 | 0 | 0 | 109.7 | ||||
| 331 | A | 24.9 | Very low | 33.4 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -167.9 | 152 | 152.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G329 | G329-A331 PolarHBondContact O-N 3.47Š| ||
| 332 | S | 25.9 | Very low | 32.7 | Very low | 101 Ų | 101 | 115.7 Ų | 115.7 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 69.7 | 89.3 | 154.9 | -171.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 333 | H | 28.4 | Very low | 32.1 | Very low | 169 Ų | 169 | 113.7 Ų | 113.7 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | 65.7 | 130.1 | 133.4 | -62.5 | -72.1 | 0 | 0 | 0 | 123.4 | ||||
| 334 | Q | 27.3 | Very low | 31.7 | Very low | 179 Ų | 179 | 116.2 Ų | 116.2 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | 21.1 | 159.4 | 122.4 | -93.5 | -174.4 | -52.8 | 0 | 0 | 122.8 | |||||
| 335 | P | 46 | Very low | 31.3 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -82.7 | 176.3 | -155.9 | 37.3 | -40.6 | 0 | 0 | 0 | 114.4 | ||||
| 336 | P | 36.3 | Very low | 30.9 | Very low | 126 Ų | 126 | 117 Ų | 117 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -141.9 | 179.5 | 117 | 40.8 | -29.8 | 0 | 0 | 0 | 115 | |||||
| 337 | A | 28.5 | Very low | 31.1 | Very low | 89 Ų | 89 | 115.4 Ų | 115.4 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -88.6 | -176.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 338 | S | 31.1 | Very low | 30.9 | Very low | 111 Ų | 111 | 115.1 Ų | 115.1 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -37 | 146.1 | 175.4 | -167.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 339 | P | 41.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 111.3 Ų | 111.3 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -144.1 | 139.8 | 104.6 | 37.1 | -22.7 | 0 | 0 | 0 | 117.7 | |||||
| 340 | V | 27.2 | Very low | 31.5 | Very low | 128 Ų | 128 | 113.8 Ų | 113.8 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | 59.5 | 106.9 | 129 | -174.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 341 | A | 26.1 | Very low | 31.4 | Very low | 96 Ų | 96 | 112 Ų | 112 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | trans | 47.3 | 132.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 342 | A | 26.5 | Very low | 31.6 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | 176.5 | 158.1 | 100.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 343 | A | 27.5 | Very low | 31.8 | Very low | 103 Ų | 103 | 120 Ų | 120 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -16.4 | 155.1 | 163 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 344 | A | 29.7 | Very low | 31.8 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | cis | -152.1 | -179.1 | 6.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 345 | A | 28.4 | Very low | 31.8 | Very low | 98 Ų | 98 | 115.6 Ų | 115.6 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | cis | -150.8 | 159.5 | 9.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 346 | A | 30.8 | Very low | 31.3 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -108 | 167.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 347 | P | 41.1 | Very low | 31.7 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | -143.5 | 155.7 | 89 | 37.1 | -22 | 0 | 0 | 0 | 114.9 | |||||
| 348 | G | 28.7 | Very low | 31.7 | Very low | 84 Ų | 84 | 122.2 Ų | 122.2 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 179.1 | 38.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 349 | G | 26.9 | Very low | 31.6 | Very low | 73 Ų | 73 | 120.3 Ų | 120.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -100.4 | -177.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 350 | P | 48.7 | Very low | 30.9 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | cis | -141.7 | 165.2 | 26.3 | 41.2 | -22.9 | 0 | 0 | 0 | 118.7 | ||||
| 351 | M | 28.4 | Very low | 30.9 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | 20.7 | 141.4 | 144.4 | -54.1 | 177.8 | 69.1 | 0 | 0 | 123.2 | ||||
| 352 | R | 28.5 | Very low | 32.1 | Very low | 221 Ų | 221 | 127.6 Ų | 127.6 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | 148.4 | 150 | 121.3 | -84.2 | 179.6 | -176.3 | -105 | -3.3 | 111.5 | |||||
| 353 | H | 29.4 | Very low | 33.1 | Very low | 139 Ų | 139 | 128 Ų | 128 | 64% | 0.644 | 79% | 0.787 | S | S | * | * | cis | -162.3 | 171.8 | -26.7 | -142.4 | -104 | 0 | 0 | 0 | 109.2 | ||||
| 354 | N | 28.9 | Very low | 33.9 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -63.4 | 152 | 179.4 | -52 | -16.4 | 0 | 0 | 0 | 114.7 | ||||
| 355 | S | 27.3 | Very low | 33.8 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | -176.4 | 134.1 | 123.8 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 356 | Y | 36 | Very low | 33.9 | Very low | 226 Ų | 226 | 130.1 Ų | 130.1 | 89% | 0.886 | 78% | 0.776 | S | S | * | * | trans | -81 | 158.9 | 152.3 | -93.9 | -92.9 | 0 | 0 | 0 | 109.7 | ||||
| 357 | P | 43.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | -139.6 | 166.9 | 121.5 | 37.3 | -25.1 | 0 | 0 | 0 | 115.8 | |||||
| 358 | S | 29.7 | Very low | 33.8 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -63 | 163.3 | 175.4 | 52.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 359 | G | 27.7 | Very low | 33.7 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | -177.3 | 91 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 360 | F | 28.2 | Very low | 33.7 | Very low | 222 Ų | 222 | 136.7 Ų | 136.7 | 97% | 0.974 | 76% | 0.757 | S | S | * | * | trans | 68.8 | 161.4 | 149.9 | -91.9 | -99.1 | 0 | 0 | 0 | 122.6 | ||||
| 361 | E | 26.9 | Very low | 33.1 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -131.3 | -144.6 | -164.3 | -157.3 | -151.5 | 171.2 | 0 | 0 | 111.1 | ||||
| 362 | P | 52 | Low | 33.7 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | trans | -111.3 | -141.1 | -138.1 | 43.8 | -23.3 | 0 | 0 | 0 | 110.9 | ||||
| 363 | P | 47.1 | Very low | 33.6 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | cis | -120.4 | -134.9 | -24.2 | 39.3 | -18.5 | 0 | 0 | 0 | 108.5 | ||||
| 364 | P | 44.6 | Very low | 33.7 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | cis | -113.1 | 175 | -23.5 | 15.1 | 11.9 | 0 | 0 | 0 | 112.8 | ||||
| 365 | S | 27 | Very low | 34.3 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 55.7 | 142.7 | 66.4 | -135.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 366 | V | 30.6 | Very low | 34.6 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 78% | 0.782 | 74% | 0.738 | S | S | * | * | cis | -145.4 | 170.9 | 29.7 | -162.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 367 | A | 28.6 | Very low | 34.5 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | -76.8 | -155.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 368 | P | 40.3 | Very low | 34 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | cis | -142.6 | -166.4 | -3 | 25.8 | 3.1 | 0 | 0 | 0 | 116 | ||||
| 369 | Y | 27.7 | Very low | 34.2 | Very low | 205 Ų | 205 | 130.7 Ų | 130.7 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 76.8 | 119.7 | 156.2 | -78.5 | -70.3 | 0 | 0 | 0 | 123.9 | ||||
| 370 | D | 26.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | trans | 22.2 | 134.4 | 143 | -64.5 | -39.3 | 0 | 0 | 0 | 125.8 | ||||
| 371 | F | 36.1 | Very low | 34.9 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 82% | 0.82 | 73% | 0.725 | S | S | * | * | trans | 16.8 | 151.4 | 134.8 | -71.7 | -84.5 | 0 | 0 | 0 | 121.8 | ||||
| 372 | P | 40.9 | Very low | 35.2 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | cis | -151.5 | 177.7 | 35.3 | 43.8 | -23 | 0 | 0 | 0 | 120.1 | ||||
| 373 | A | 27 | Very low | 34.1 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | 54.3 | 119.1 | 140.6 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 374 | D | 30.3 | Very low | 34.1 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | trans | 6.2 | 144.2 | 130.7 | -177.3 | 64.4 | 0 | 0 | 0 | 122 | S376 | D374-S376 PolarHBondContact OD1-N 3.06Å; D374-S376 VanDerWaalsContact OD2-CB 3.24Å; D374-S376 WeakPolarHBondContact OD2-CB 3.4Å; D374-S376 PolarHBondContact OD2-N 3.41Å; D374-S376 PolarHBondContact OD2-OG 3.4Å | ||
| 375 | P | 41.3 | Very low | 33.6 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | trans | -136.6 | 90.4 | 133.6 | 38.2 | -25.3 | 0 | 0 | 0 | 117.2 | ||||
| 376 | S | 33.2 | Very low | 33.9 | Very low | 58 Ų | 58 | 147.8 Ų | 147.8 | 41% | 0.406 | 75% | 0.746 | S | S | . | * | 23.9 | 161.8 | 121.7 | 54.4 | 0 | 0 | 0 | 0 | 123.8 | D374 | D374-S376 PolarHBondContact OD1-N 3.06Å; D374-S376 VanDerWaalsContact OD2-CB 3.24Å; D374-S376 WeakPolarHBondContact OD2-CB 3.4Å; D374-S376 PolarHBondContact OD2-N 3.41Å; D374-S376 PolarHBondContact OD2-OG 3.4Å | |||
| 377 | K | 34.4 | Very low | 34.2 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | trans | 91 | 145.5 | 166.4 | -56 | 130.9 | -169.1 | 141.2 | 0 | 113.7 | ||||
| 378 | K | 33 | Very low | 35 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | cis | -155.3 | 175.9 | 21.8 | -124.9 | 163.2 | -174.8 | 173.6 | 0 | 107.5 | ||||
| 379 | Q | 35.2 | Very low | 34.4 | Very low | 162 Ų | 162 | 151 Ų | 151 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | cis | -144.3 | -143.4 | -0.7 | -161.2 | 143.4 | -105.6 | 0 | 0 | 111.5 | ||||
| 380 | R | 31.5 | Very low | 34.7 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -152.6 | 95.9 | -135.2 | -174.4 | -136.9 | 64.5 | -163.1 | -5.7 | 121 | ||||
| 381 | K | 37.8 | Very low | 35.6 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | trans | 54.9 | 157.1 | 150.2 | -64.9 | 179.7 | 176.1 | 176.6 | 0 | 121.8 | ||||
| 382 | Q | 33.2 | Very low | 35.6 | Very low | 157 Ų | 157 | 150.9 Ų | 150.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 169.1 | 156.9 | 126.9 | -93.8 | -167.9 | 102.5 | 0 | 0 | 112.1 | |||||
| 383 | R | 29.9 | Very low | 35.3 | Very low | 222 Ų | 222 | 151.4 Ų | 151.4 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | cis | -163.6 | 168.1 | -19 | -167.9 | 168.5 | 179.6 | -167.4 | 1.8 | 109.6 | ||||
| 384 | A | 47.1 | Very low | 35.3 | Very low | 92 Ų | 92 | 151.9 Ų | 151.9 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -137.1 | 167.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 385 | K | 33.4 | Very low | 35.1 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -176.9 | 166.5 | 169.6 | -100.5 | -176.3 | 178.8 | -175.3 | 0 | 109.5 | ||||
| 386 | K | 34.8 | Very low | 34.6 | Very low | 191 Ų | 191 | 156.9 Ų | 156.9 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | cis | -162 | 174.6 | -38.6 | -118.7 | -166.7 | 176.3 | -162.4 | 0 | 109.2 | ||||
| 387 | Q | 35.2 | Very low | 34.4 | Very low | 184 Ų | 184 | 157.6 Ų | 157.6 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -90.9 | -174.7 | -170.9 | -46.3 | 166.3 | -59.9 | 0 | 0 | 113.8 | ||||
| 388 | P | 45.3 | Very low | 34.5 | Very low | 130 Ų | 130 | 159.5 Ų | 159.5 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | cis | -134.4 | 177.8 | -7.9 | 42 | -25.5 | 0 | 0 | 0 | 116.1 | ||||
| 389 | G | 28.8 | Very low | 34.4 | Very low | 71 Ų | 71 | 154.8 Ų | 154.8 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | trans | 148.5 | 127.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 390 | E | 33 | Very low | 34.1 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 94% | 0.935 | 83% | 0.829 | S | S | * | * | trans | 49.5 | 166.2 | 156.1 | -63.5 | -175.9 | 135 | 0 | 0 | 122.9 | ||||
| 391 | E | 45.8 | Very low | 34.2 | Very low | 197 Ų | 197 | 151.3 Ų | 151.3 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | trans | -85.6 | 140.7 | -167.2 | -62.9 | -167.7 | 132.7 | 0 | 0 | 115.5 | ||||
| 392 | P | 36.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | trans | -137.2 | 161.3 | 150.8 | 22.9 | -1.3 | 0 | 0 | 0 | 115 | ||||
| 393 | P | 36 | Very low | 34.1 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | trans | -97.5 | 162.7 | -160.2 | 37.4 | -38.7 | 0 | 0 | 0 | 118 | ||||
| 394 | A | 25.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | trans | 57.1 | 90.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 395 | G | 26.3 | Very low | 33.7 | Very low | 80 Ų | 80 | 148.5 Ų | 148.5 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | 73.5 | 105.3 | 120.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 396 | R | 32.2 | Very low | 33.6 | Very low | 263 Ų | 263 | 144.6 Ų | 144.6 | 99% | 0.992 | 85% | 0.846 | S | S | * | * | trans | -146.4 | 133.3 | 161.1 | -105.6 | 179.9 | 177.9 | -170.1 | 0.6 | 112.5 | ||||
| 397 | G | 29 | Very low | 33.5 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | trans | -149.7 | 115.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 398 | K | 36.3 | Very low | 33.5 | Very low | 222 Ų | 222 | 134.8 Ų | 134.8 | 97% | 0.965 | 84% | 0.839 | S | S | * | * | trans | 39.3 | 127.5 | 166.7 | -65.7 | -172.3 | 177.9 | -178.8 | 0 | 119.9 | ||||
| 399 | G | 30 | Very low | 33 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | -172.4 | 161.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 400 | G | 28.9 | Very low | 33.2 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 84% | 0.838 | S | S | * | * | trans | 115.7 | 94.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 401 | K | 34.4 | Very low | 33.2 | Very low | 202 Ų | 202 | 130.3 Ų | 130.3 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | trans | 53.8 | 120.5 | 133.4 | -60.2 | 178.3 | 175.8 | -180 | 0 | 120.9 | ||||
| 402 | K | 34.3 | Very low | 32.7 | Very low | 215 Ų | 215 | 125.6 Ų | 125.6 | 94% | 0.935 | 83% | 0.828 | S | S | * | * | 170.4 | 142.4 | 108.9 | -90 | 164.4 | -175.9 | -179.9 | 0 | 108.9 | |||||
| 403 | G | 33.3 | Very low | 32.4 | Very low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 83% | 0.828 | S | S | * | * | cis | 169.7 | 174.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 404 | R | 36.8 | Very low | 32.2 | Very low | 265 Ų | 265 | 123.7 Ų | 123.7 | 100% | 1 | 83% | 0.832 | S | S | * | * | trans | 68.8 | 142.4 | -174.4 | -47.4 | 175.8 | -176.5 | -120.6 | 2.3 | 113.7 | ||||
| 405 | G | 32.5 | Very low | 32.4 | Very low | 68 Ų | 68 | 122.7 Ų | 122.7 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | cis | -166.8 | 135.2 | -14 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 406 | A | 31.8 | Very low | 32.8 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 93% | 0.934 | 82% | 0.821 | S | S | * | * | 60 | 124.3 | 69.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 407 | G | 33.1 | Very low | 33.1 | Very low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | cis | -156.3 | 162.1 | 1.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 408 | A | 34.8 | Very low | 33.6 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | 81.3 | 154.7 | 77.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 409 | V | 33.6 | Very low | 33.7 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | cis | -139.3 | 149.7 | 23.3 | -163.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 410 | G | 34.4 | Very low | 34.1 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | cis | 118 | 166.5 | 8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 411 | A | 32.5 | Very low | 34.3 | Very low | 100 Ų | 100 | 123.1 Ų | 123.1 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | cis | -158.6 | 165.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 412 | A | 34.9 | Very low | 34.3 | Very low | 99 Ų | 99 | 117 Ų | 117 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | cis | -118 | -79.6 | 2.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 413 | A | 30.9 | Very low | 34.3 | Very low | 93 Ų | 93 | 111.8 Ų | 111.8 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | cis | -155.9 | 151.3 | -15.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 414 | A | 31.1 | Very low | 34.3 | Very low | 110 Ų | 110 | 111.9 Ų | 111.9 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | cis | -131.6 | -59.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 415 | G | 29 | Very low | 34.1 | Very low | 79 Ų | 79 | 107.6 Ų | 107.6 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 168.2 | 174.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 416 | G | 36 | Very low | 34.3 | Very low | 57 Ų | 57 | 112.1 Ų | 112.1 | 59% | 0.588 | 81% | 0.811 | S | S | * | * | cis | 162.1 | 166 | -9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 417 | R | 37.4 | Very low | 34.9 | Very low | 253 Ų | 253 | 112.1 Ų | 112.1 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | trans | 91.7 | 158.6 | -175.2 | -49.3 | 142.6 | -169.4 | 139.5 | -3.2 | 113.3 | ||||
| 418 | K | 39.2 | Very low | 34.7 | Very low | 201 Ų | 201 | 119.1 Ų | 119.1 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | cis | -150.7 | -171 | 7.1 | -159.7 | -140.4 | 169.4 | -177.5 | 0 | 111.2 | ||||
| 419 | S | 39 | Very low | 34.4 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | -161.8 | -177.7 | -173.9 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 420 | A | 37.8 | Very low | 34.2 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | cis | -174.9 | 164.9 | -42.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 421 | G | 32.6 | Very low | 34.2 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | 158.9 | 172.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 422 | G | 34.8 | Very low | 34.7 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | cis | 169.2 | 162 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 423 | A | 34.3 | Very low | 34.4 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | 65.1 | 169.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 424 | G | 33.6 | Very low | 34.3 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | cis | 161.2 | 170.4 | -8.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 425 | E | 33.5 | Very low | 35.2 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | cis | -169.6 | 176.6 | -21.8 | -100.6 | 141.3 | 73.5 | 0 | 0 | 109.8 | ||||
| 426 | N | 35.3 | Very low | 35.7 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -157.2 | 151 | -166.5 | -124 | -5.6 | 0 | 0 | 0 | 114.2 | ||||
| 427 | P | 45.8 | Very low | 35.3 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | trans | -154.2 | 156.7 | 144.5 | 34.1 | -13.2 | 0 | 0 | 0 | 120.6 | ||||
| 428 | F | 28.3 | Very low | 35 | Very low | 215 Ų | 215 | 135.2 Ų | 135.2 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | trans | 10.1 | 160.6 | 156.6 | -55.5 | -75.3 | 0 | 0 | 0 | 124.6 | ||||
| 429 | G | 27.3 | Very low | 34.5 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | 166.1 | 178.5 | -2.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 430 | M | 30.7 | Very low | 34.1 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 100% | 1 | 81% | 0.807 | S | S | * | * | trans | 86 | 156.7 | 172.5 | -69.4 | -63.5 | 177.8 | 0 | 0 | 122.4 | ||||
| 431 | D | 34.6 | Very low | 33.5 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | trans | -146.7 | 157.6 | -169.8 | 177 | 55.3 | 0 | 0 | 0 | 109.4 | ||||
| 432 | P | 43.4 | Very low | 33.3 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | -160.7 | 172.4 | 116.2 | 41.5 | -22.2 | 0 | 0 | 0 | 119.7 | |||||
| 433 | M | 27.5 | Very low | 33.1 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | 102.8 | 148.1 | 152.2 | -61.4 | -54 | -76 | 0 | 0 | 122.1 | ||||
| 434 | R | 29.6 | Very low | 33 | Very low | 222 Ų | 222 | 146.7 Ų | 146.7 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -167.2 | -178 | -162.4 | -150.4 | -160.8 | 171.1 | -177.4 | -0.4 | 107.3 | ||||
| 435 | P | 48.8 | Very low | 33.4 | Very low | 95 Ų | 95 | 151.7 Ų | 151.7 | 62% | 0.617 | 80% | 0.799 | S | S | * | * | cis | -110.4 | -148.6 | -25.5 | 43.4 | -26.3 | 0 | 0 | 0 | 110.5 | ||||
| 436 | P | 39.5 | Very low | 33.4 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | cis | -111.5 | 145.3 | 39.1 | 2.9 | 22.7 | 0 | 0 | 0 | 114.1 | ||||
| 437 | M | 29.4 | Very low | 33.6 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | 76.8 | 103 | 78.1 | -66.4 | -119.5 | 61.7 | 0 | 0 | 116.6 | |||||
| 438 | L | 31 | Very low | 33.4 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | -146.4 | 171.6 | 127.1 | -114.1 | 171.4 | 0 | 0 | 0 | 109 | |||||
| 439 | Q | 27.5 | Very low | 34.4 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -87.9 | 165 | -150.5 | -74.7 | 168.9 | -49.5 | 0 | 0 | 116.8 | ||||
| 440 | R | 30.1 | Very low | 35.6 | Very low | 237 Ų | 237 | 147.2 Ų | 147.2 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -87 | 156.8 | 173.4 | -56.7 | 170.2 | 173.9 | 177.1 | -4.1 | 110.9 | ||||
| 441 | S | 26.6 | Very low | 36.6 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -136.8 | 162.5 | 139.5 | -80.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 442 | S | 26.8 | Very low | 37.7 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -119.5 | 155.9 | -160.8 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 443 | S | 32.2 | Very low | 38.4 | Very low | 96 Ų | 96 | 147.2 Ų | 147.2 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | trans | 31.7 | 139.2 | 144.9 | 60.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 444 | E | 31.1 | Very low | 40.3 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | 96.5 | 147.5 | 142.2 | -138.2 | 110.5 | -128.8 | 0 | 0 | 118.4 | ||||
| 445 | Q | 42.4 | Very low | 42.2 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | -19.2 | 119.7 | -174.7 | -63.4 | 172.7 | 0.5 | 0 | 0 | 118.5 | ||||
| 446 | H | 32.7 | Very low | 43.4 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | trans | -142.4 | 145.4 | 149.3 | -120.7 | 59.4 | 0 | 0 | 0 | 113.4 | ||||
| 447 | N | 40.7 | Very low | 45.1 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | -76 | 126.6 | -178.4 | -164.8 | 8.8 | 0 | 0 | 0 | 109.6 | N449 | N447-N449 PolarHBondContact O-N 2.95Å; N447-N449 VanDerWaalsContact O-N 3.08Å | ||
| 448 | P | 41.2 | Very low | 47.4 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -68.8 | 108.7 | -172.9 | 25.9 | -34.8 | 0 | 0 | 0 | 112.3 | ||||
| 449 | N | 48.8 | Very low | 50 | Low | 103 Ų | 103 | 139.7 Ų | 139.7 | 55% | 0.551 | 71% | 0.709 | S | S | * | * | trans | -65.6 | 121.9 | 177 | -177.7 | -19.8 | 0 | 0 | 0 | 110.5 | N447 H451 Q452 | N447-N449 PolarHBondContact O-N 2.95Å; N447-N449 VanDerWaalsContact O-N 3.08Å; N449-H451 PolarHBondContact O-N 3.35Å; N449-H451 PolarHBondContact OD1-N 2.94Å; N449-Q452 PolarHBondContact O-N 2.99Å | ||
| 450 | P | 53.1 | Low | 52.5 | Low | 96 Ų | 96 | 136.5 Ų | 136.5 | 62% | 0.623 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -60.5 | -20.1 | -170.8 | 21.6 | -33.6 | 0 | 0 | 0 | 114.9 | Q452 M453 S454 | P450-Q452 VanDerWaalsContact C-N 3.33Å; P450-Q452 PolarHBondContact O-N 3.19Å; P450-M453 PolarHBondContact O-N 3.19Å; P450-S454 PolarHBondContact O-N 2.92Å |
| 451 | H | 52.6 | Low | 55 | Low | 149 Ų | 149 | 132.6 Ų | 132.6 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -63.4 | -32.5 | 177.5 | -85.6 | 63.8 | 0 | 0 | 0 | 113.9 | N449 Q455 | N449-H451 PolarHBondContact O-N 3.35Å; N449-H451 PolarHBondContact OD1-N 2.94Å; H451-Q455 PolarHBondContact O-N 3.09Å |
| 452 | Q | 56.9 | Low | 57.9 | Low | 153 Ų | 153 | 132.6 Ų | 132.6 | 72% | 0.715 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.3 | -36.7 | 178.3 | -74.5 | -169.6 | -4.5 | 0 | 0 | 112.4 | N449 P450 S454 Q455 Y456 | N449-Q452 PolarHBondContact O-N 2.99Å; P450-Q452 VanDerWaalsContact C-N 3.33Å; P450-Q452 PolarHBondContact O-N 3.19Å; Q452-S454 VanDerWaalsContact C-N 3.31Å; Q452-S454 PolarHBondContact O-N 3.45Å; Q452-Q455 PolarHBondContact O-N 3.31Å; Q452-Y456 PolarHBondContact O-N 3.37Å; Q452-Y456 VanDerWaalsContact O-N 3.09Å |
| 453 | M | 58.6 | Low | 60.7 | Low | 144 Ų | 144 | 133.1 Ų | 133.1 | 71% | 0.709 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -64.6 | -38.8 | 177.2 | -162.2 | -170 | -58.3 | 0 | 0 | 111.2 | P450 Y456 Q457 | P450-M453 PolarHBondContact O-N 3.19Å; M453-Y456 PolarHBondContact O-N 3.23Å; M453-Q457 WeakPolarHBondContact O-CB 3.47Å; M453-Q457 PolarHBondContact O-N 2.89Å |
| 454 | S | 67.5 | Low | 63.5 | Low | 64 Ų | 64 | 133.4 Ų | 133.4 | 45% | 0.448 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -61.8 | -44.5 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | P450 Q452 Q457 M458 | P450-S454 PolarHBondContact O-N 2.92Å; Q452-S454 VanDerWaalsContact C-N 3.31Å; Q452-S454 PolarHBondContact O-N 3.45Å; S454-Q457 PolarHBondContact O-N 3.14Å; S454-M458 WeakPolarHBondContact O-CB 3.4Å; S454-M458 PolarHBondContact O-N 2.98Å |
| 455 | Q | 67.7 | Low | 66.2 | Low | 145 Ų | 145 | 128.9 Ų | 128.9 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.9 | -40.6 | 176 | -73.4 | -165.5 | -10.8 | 0 | 0 | 112.6 | H451 Q452 Q457 M458 Q459 | H451-Q455 PolarHBondContact O-N 3.09Å; Q452-Q455 PolarHBondContact O-N 3.31Å; Q455-Q457 VanDerWaalsContact C-N 3.33Å; Q455-Q457 PolarHBondContact O-N 3.1Å; Q455-M458 PolarHBondContact O-N 3.19Å; Q455-Q459 WeakPolarHBondContact O-CB 3.46Å; Q455-Q459 PolarHBondContact O-N 3.05Å |
| 456 | Y | 74.1 | Confident | 68.2 | Low | 167 Ų | 167 | 127.2 Ų | 127.2 | 66% | 0.655 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.5 | -41 | 175.9 | -122.8 | -87.9 | 0 | 0 | 0 | 112.1 | Q452 M453 Q459 Q460 | Q452-Y456 PolarHBondContact O-N 3.37Å; Q452-Y456 VanDerWaalsContact O-N 3.09Å; M453-Y456 PolarHBondContact O-N 3.23Å; Y456-Q459 PolarHBondContact O-N 3.04Å; Y456-Q460 WeakPolarHBondContact O-CG 3.38Å; Y456-Q460 PolarHBondContact O-N 3.11Å |
| 457 | Q | 75.7 | Confident | 71 | Confident | 146 Ų | 146 | 125 Ų | 125 | 68% | 0.682 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.6 | -40 | 176.2 | -169.3 | 174.4 | 56.6 | 0 | 0 | 112 | M453 S454 Q455 Q460 Y461 | M453-Q457 WeakPolarHBondContact O-CB 3.47Å; M453-Q457 PolarHBondContact O-N 2.89Å; S454-Q457 PolarHBondContact O-N 3.14Å; Q455-Q457 VanDerWaalsContact C-N 3.33Å; Q455-Q457 PolarHBondContact O-N 3.1Å; Q457-Q460 PolarHBondContact O-N 3.12Å; Q457-Y461 WeakPolarHBondContact O-CB 3.39Å; Q457-Y461 PolarHBondContact O-N 3.42Å |
| 458 | M | 78.1 | Confident | 73 | Confident | 127 Ų | 127 | 125.4 Ų | 125.4 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.4 | -41.8 | 174.7 | -169.5 | -171.9 | -61.4 | 0 | 0 | 112 | S454 Q455 Y461 Q462 | S454-M458 WeakPolarHBondContact O-CB 3.4Å; S454-M458 PolarHBondContact O-N 2.98Å; Q455-M458 PolarHBondContact O-N 3.19Å; M458-Y461 PolarHBondContact O-N 3.29Å; M458-Q462 PolarHBondContact O-N 3.28Å |
| 459 | Q | 85.6 | Confident | 75.1 | Confident | 115 Ų | 115 | 126.4 Ų | 126.4 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.9 | -41.5 | 177.3 | -168.3 | 175.2 | 49.9 | 0 | 0 | 111.8 | Q455 Y456 Q462 Q463 | Q455-Q459 WeakPolarHBondContact O-CB 3.46Å; Q455-Q459 PolarHBondContact O-N 3.05Å; Y456-Q459 PolarHBondContact O-N 3.04Å; Q459-Q462 PolarHBondContact O-N 3.41Å; Q459-Q463 WeakPolarHBondContact O-CB 3.3Å; Q459-Q463 PolarHBondContact O-N 3.37Å |
| 460 | Q | 79.1 | Confident | 77 | Confident | 104 Ų | 104 | 126.8 Ų | 126.8 | 49% | 0.486 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.9 | -40.2 | 172.9 | -74.9 | -62.5 | -72.3 | 0 | 0 | 112.5 | Y456 Q457 Q463 N464 | Y456-Q460 WeakPolarHBondContact O-CG 3.38Å; Y456-Q460 PolarHBondContact O-N 3.11Å; Q457-Q460 PolarHBondContact O-N 3.12Å; Q460-Q463 PolarHBondContact O-N 3.12Å; Q460-N464 WeakPolarHBondContact O-CB 3.45Å; Q460-N464 PolarHBondContact O-N 3.24Å |
| 461 | Y | 84.1 | Confident | 78.7 | Confident | 156 Ų | 156 | 127.9 Ų | 127.9 | 61% | 0.612 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62 | -44.4 | 174.9 | -174.3 | -99.3 | 0 | 0 | 0 | 112 | Q457 M458 N464 Q465 | Q457-Y461 WeakPolarHBondContact O-CB 3.39Å; Q457-Y461 PolarHBondContact O-N 3.42Å; M458-Y461 PolarHBondContact O-N 3.29Å; Y461-N464 PolarHBondContact O-N 3.36Å; Y461-Q465 HydrophobicContact CD1-CG 4.39Å; Y461-Q465 HydrophobicContact CE1-CG 4.07Å; Y461-Q465 WeakPolarHBondContact O-CG 3.39Å; Y461-Q465 PolarHBondContact O-N 3.16Å; Y461-Q465 PolarHBondContact OH-NE2 2.92Å; Y461-Q465 VanDerWaalsContact OH-NE2 3.07Å |
| 462 | Q | 86.8 | Confident | 80.2 | Confident | 129 Ų | 129 | 126.1 Ų | 126.1 | 60% | 0.603 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.3 | -40.3 | 177.5 | -170.5 | 175.3 | 68.8 | 0 | 0 | 112.4 | M458 Q459 Q465 Q466 | M458-Q462 PolarHBondContact O-N 3.28Å; Q459-Q462 PolarHBondContact O-N 3.41Å; Q462-Q465 PolarHBondContact O-N 2.84Å; Q462-Q466 PolarHBondContact O-N 3.17Å |
| 463 | Q | 85.1 | Confident | 81.5 | Confident | 117 Ų | 117 | 124.3 Ų | 124.3 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.7 | -38.9 | 176 | -167.2 | 173.4 | 33.1 | 0 | 0 | 112.1 | Q459 Q460 Q466 F467 | Q459-Q463 WeakPolarHBondContact O-CB 3.3Å; Q459-Q463 PolarHBondContact O-N 3.37Å; Q460-Q463 PolarHBondContact O-N 3.12Å; Q463-Q466 PolarHBondContact O-N 3.24Å; Q463-F467 PolarHBondContact O-N 3.09Å; Q463-F467 VanDerWaalsContact O-N 3.09Å |
| 464 | N | 91.8 | Very high | 82.6 | Confident | 101 Ų | 101 | 122.5 Ų | 122.5 | 54% | 0.54 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.7 | -38.8 | 177 | -161.9 | -35.6 | 0 | 0 | 0 | 112 | Q460 Y461 Q466 F467 R468 | Q460-N464 WeakPolarHBondContact O-CB 3.45Å; Q460-N464 PolarHBondContact O-N 3.24Å; Y461-N464 PolarHBondContact O-N 3.36Å; N464-Q466 PolarHBondContact O-N 3.38Å; N464-F467 PolarHBondContact O-N 3.41Å; N464-R468 PolarHBondContact O-N 2.86Å |
| 465 | Q | 88 | Confident | 83.3 | Confident | 79 Ų | 79 | 125.5 Ų | 125.5 | 37% | 0.369 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.5 | -39.4 | 173.3 | -69.1 | -69.8 | 7.9 | 0 | 0 | 112.7 | Y461 Q462 R468 M469 | Y461-Q465 HydrophobicContact CD1-CG 4.39Å; Y461-Q465 HydrophobicContact CE1-CG 4.07Å; Y461-Q465 WeakPolarHBondContact O-CG 3.39Å; Y461-Q465 PolarHBondContact O-N 3.16Å; Y461-Q465 PolarHBondContact OH-NE2 2.92Å; Y461-Q465 VanDerWaalsContact OH-NE2 3.07Å; Q462-Q465 PolarHBondContact O-N 2.84Å; Q465-R468 PolarHBondContact O-N 3.49Å; Q465-M469 PolarHBondContact O-N 3.35Å |
| 466 | Q | 85.1 | Confident | 83.8 | Confident | 135 Ų | 135 | 124 Ų | 124 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64 | -40.9 | 173.6 | -71.5 | -175.7 | -10.7 | 0 | 0 | 112.2 | Q462 Q463 N464 M469 H470 | Q462-Q466 PolarHBondContact O-N 3.17Å; Q463-Q466 PolarHBondContact O-N 3.24Å; N464-Q466 PolarHBondContact O-N 3.38Å; Q466-M469 PolarHBondContact O-N 2.98Å; Q466-H470 PolarHBondContact O-N 3.07Å |
| 467 | F | 90 | Very high | 83.7 | Confident | 142 Ų | 142 | 122.3 Ų | 122.3 | 62% | 0.623 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63 | -42.8 | 176 | -168 | -94.8 | 0 | 0 | 0 | 112 | Q463 N464 M469 H470 Q471 | Q463-F467 PolarHBondContact O-N 3.09Å; Q463-F467 VanDerWaalsContact O-N 3.09Å; N464-F467 PolarHBondContact O-N 3.41Å; F467-M469 PolarHBondContact O-N 3.4Å; F467-H470 PolarHBondContact O-N 3.47Å; F467-Q471 PolarHBondContact O-N 3.45Å |
| 468 | R | 84.3 | Confident | 83.6 | Confident | 154 Ų | 154 | 120.8 Ų | 120.8 | 58% | 0.581 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.4 | -43.3 | 175.1 | -176.9 | 179.6 | -70.5 | -135.9 | -2 | 112.4 | N464 Q465 Q471 M472 | N464-R468 PolarHBondContact O-N 2.86Å; Q465-R468 PolarHBondContact O-N 3.49Å; R468-Q471 PolarHBondContact O-N 3.44Å; R468-M472 PolarHBondContact O-N 3.44Å |
| 469 | M | 84.9 | Confident | 83.1 | Confident | 128 Ų | 128 | 120.7 Ų | 120.7 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.6 | -44.5 | 174.6 | -79.4 | -69.9 | -70.2 | 0 | 0 | 112 | Q465 Q466 F467 M472 Q473 | Q465-M469 PolarHBondContact O-N 3.35Å; Q466-M469 PolarHBondContact O-N 2.98Å; F467-M469 PolarHBondContact O-N 3.4Å; M469-M472 PolarHBondContact O-N 3.41Å; M469-Q473 PolarHBondContact O-N 3.21Å |
| 470 | H | 88.1 | Confident | 81.8 | Confident | 111 Ų | 111 | 122 Ų | 122 | 51% | 0.514 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.6 | -37.7 | 179.8 | -164.6 | 60.9 | 0 | 0 | 0 | 112.4 | Q466 F467 Q473 Q474 | Q466-H470 PolarHBondContact O-N 3.07Å; F467-H470 PolarHBondContact O-N 3.47Å; H470-Q473 PolarHBondContact O-N 3.22Å; H470-Q474 WeakPolarHBondContact O-CB 3.49Å; H470-Q474 PolarHBondContact O-N 2.88Å |
| 471 | Q | 88.7 | Confident | 80.6 | Confident | 120 Ų | 120 | 124.7 Ų | 124.7 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.9 | -44.6 | 173.2 | -173.4 | 179.4 | 48.7 | 0 | 0 | 112 | F467 R468 Q474 Q475 | F467-Q471 PolarHBondContact O-N 3.45Å; R468-Q471 PolarHBondContact O-N 3.44Å; Q471-Q474 PolarHBondContact O-N 3.46Å; Q471-Q475 PolarHBondContact O-N 3.49Å |
| 472 | M | 83.5 | Confident | 79 | Confident | 112 Ų | 112 | 125.2 Ų | 125.2 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.7 | -42.8 | 177.1 | -165.6 | -161.8 | -55.1 | 0 | 0 | 111.7 | R468 M469 Q474 Q475 Q476 | R468-M472 PolarHBondContact O-N 3.44Å; M469-M472 PolarHBondContact O-N 3.41Å; M472-Q474 PolarHBondContact O-N 2.74Å; M472-Q475 PolarHBondContact O-N 3.43Å; M472-Q476 PolarHBondContact O-N 3.42Å |
| 473 | Q | 85.3 | Confident | 77 | Confident | 114 Ų | 114 | 126.5 Ų | 126.5 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.8 | -41.3 | 176.1 | -176.4 | 175.7 | 56.4 | 0 | 0 | 112.2 | M469 H470 Q476 Q477 | M469-Q473 PolarHBondContact O-N 3.21Å; H470-Q473 PolarHBondContact O-N 3.22Å; Q473-Q476 PolarHBondContact O-N 3.1Å; Q473-Q477 PolarHBondContact O-N 3.39Å |
| 474 | Q | 82.4 | Confident | 74.8 | Confident | 107 Ų | 107 | 125.2 Ų | 125.2 | 50% | 0.5 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.4 | -39.1 | 176.4 | -169.5 | -178 | 100.1 | 0 | 0 | 112 | H470 Q471 M472 Q477 Q478 | H470-Q474 WeakPolarHBondContact O-CB 3.49Å; H470-Q474 PolarHBondContact O-N 2.88Å; Q471-Q474 PolarHBondContact O-N 3.46Å; M472-Q474 PolarHBondContact O-N 2.74Å; Q474-Q477 PolarHBondContact O-N 2.7Å; Q474-Q478 PolarHBondContact O-N 2.66Å; Q474-Q478 VanDerWaalsContact O-N 3.14Å |
| 475 | Q | 81.4 | Confident | 72.3 | Confident | 126 Ų | 126 | 126.1 Ų | 126.1 | 59% | 0.589 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67 | -37.5 | 176.4 | -167.7 | 171.8 | 65.4 | 0 | 0 | 111.9 | Q471 M472 Q478 Q479 | Q471-Q475 PolarHBondContact O-N 3.49Å; M472-Q475 PolarHBondContact O-N 3.43Å; Q475-Q478 PolarHBondContact O-N 2.92Å; Q475-Q479 PolarHBondContact O-N 3.22Å; Q475-Q479 VanDerWaalsContact O-N 3.12Å |
| 476 | Q | 77.4 | Confident | 69.7 | Low | 115 Ų | 115 | 131.5 Ų | 131.5 | 54% | 0.537 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.5 | -39.9 | 173.6 | -170.6 | 178 | 87.4 | 0 | 0 | 112.2 | M472 Q473 Q478 Q479 F480 | M472-Q476 PolarHBondContact O-N 3.42Å; Q473-Q476 PolarHBondContact O-N 3.1Å; Q476-Q478 VanDerWaalsContact C-N 3.31Å; Q476-Q478 PolarHBondContact O-N 3.12Å; Q476-Q479 PolarHBondContact O-N 2.97Å; Q476-F480 HydrophobicContact CG-CD2 4.13Å; Q476-F480 HydrophobicContact CG-CE2 3.87Å; Q476-F480 WeakPolarHBondContact O-CD2 3.42Å; Q476-F480 PolarHBondContact O-N 3.07Å; Q476-F480 VanDerWaalsContact O-N 3.12Å |
| 477 | Q | 73.1 | Confident | 67.2 | Low | 131 Ų | 131 | 132.3 Ų | 132.3 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -61.6 | -37.3 | 172.8 | -77.2 | -171.1 | -3 | 0 | 0 | 112.7 | Q473 Q474 F480 Q481 | Q473-Q477 PolarHBondContact O-N 3.39Å; Q474-Q477 PolarHBondContact O-N 2.7Å; Q477-F480 PolarHBondContact O-N 3.39Å; Q477-Q481 PolarHBondContact O-N 2.92Å; Q477-Q481 VanDerWaalsContact O-N 3.07Å |
| 478 | Q | 72.9 | Confident | 64.7 | Low | 113 Ų | 113 | 131.2 Ų | 131.2 | 53% | 0.528 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.4 | -39.1 | 175 | -70.2 | 177.7 | 41.5 | 0 | 0 | 112 | Q474 Q475 Q476 Q481 M482 | Q474-Q478 PolarHBondContact O-N 2.66Å; Q474-Q478 VanDerWaalsContact O-N 3.14Å; Q475-Q478 PolarHBondContact O-N 2.92Å; Q476-Q478 VanDerWaalsContact C-N 3.31Å; Q476-Q478 PolarHBondContact O-N 3.12Å; Q478-Q481 PolarHBondContact O-N 2.6Å; Q478-M482 WeakPolarHBondContact O-CG 3.47Å; Q478-M482 PolarHBondContact O-N 3.43Å; Q478-M482 VanDerWaalsContact O-N 3.1Å |
| 479 | Q | 66.9 | Low | 62.2 | Low | 126 Ų | 126 | 132 Ų | 132 | 59% | 0.589 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63 | -42.3 | 174.9 | -72.9 | -172.9 | -13.3 | 0 | 0 | 112.6 | Q475 Q476 Q481 M482 | Q475-Q479 PolarHBondContact O-N 3.22Å; Q475-Q479 VanDerWaalsContact O-N 3.12Å; Q476-Q479 PolarHBondContact O-N 2.97Å; Q479-Q481 VanDerWaalsContact C-N 3.29Å; Q479-Q481 PolarHBondContact O-N 3.46Å; Q479-M482 PolarHBondContact O-N 3.38Å |
| 480 | F | 59.2 | Low | 59.9 | Low | 142 Ų | 142 | 131.6 Ų | 131.6 | 62% | 0.623 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.4 | -32.5 | 174 | -79.6 | -65.8 | 0 | 0 | 0 | 113 | Q476 Q477 M482 Q483 | Q476-F480 HydrophobicContact CG-CD2 4.13Å; Q476-F480 HydrophobicContact CG-CE2 3.87Å; Q476-F480 WeakPolarHBondContact O-CD2 3.42Å; Q476-F480 PolarHBondContact O-N 3.07Å; Q476-F480 VanDerWaalsContact O-N 3.12Å; Q477-F480 PolarHBondContact O-N 3.39Å; F480-M482 VanDerWaalsContact C-N 3.31Å; F480-M482 PolarHBondContact O-N 3.41Å; F480-Q483 PolarHBondContact O-N 3.35Å |
| 481 | Q | 54.1 | Low | 57.2 | Low | 161 Ų | 161 | 132.2 Ų | 132.2 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.5 | -26.3 | 176.5 | -157.1 | 167.3 | 113.1 | 0 | 0 | 112.8 | Q477 Q478 Q479 | Q477-Q481 PolarHBondContact O-N 2.92Å; Q477-Q481 VanDerWaalsContact O-N 3.07Å; Q478-Q481 PolarHBondContact O-N 2.6Å; Q479-Q481 VanDerWaalsContact C-N 3.29Å; Q479-Q481 PolarHBondContact O-N 3.46Å |
| 482 | M | 49.3 | Very low | 54.4 | Low | 167 Ų | 167 | 130 Ų | 130 | 82% | 0.823 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -9.9 | 177.3 | -70.5 | -75.7 | -75.5 | 0 | 0 | 114.4 | Q478 Q479 F480 | Q478-M482 WeakPolarHBondContact O-CG 3.47Å; Q478-M482 PolarHBondContact O-N 3.43Å; Q478-M482 VanDerWaalsContact O-N 3.1Å; Q479-M482 PolarHBondContact O-N 3.38Å; F480-M482 VanDerWaalsContact C-N 3.31Å; F480-M482 PolarHBondContact O-N 3.41Å |
| 483 | Q | 45.7 | Very low | 51.8 | Low | 156 Ų | 156 | 135.2 Ų | 135.2 | 73% | 0.729 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 20.3 | -177.3 | -68.5 | -171 | -4.3 | 0 | 0 | 114.7 | F480 P485 | F480-Q483 PolarHBondContact O-N 3.35Å; Q483-P485 WeakPolarHBondContact O-CD 3.45Å |
| 484 | S | 37.9 | Very low | 49.2 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | trans | -77.6 | 116.9 | 171.7 | -67.5 | 0 | 0 | 0 | 0 | 111 | K486 | S484-K486 PolarHBondContact O-N 2.76Š| ||
| 485 | P | 39.7 | Very low | 46.6 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | -70.5 | 126.8 | -177.4 | 28.4 | -34.1 | 0 | 0 | 0 | 111.3 | Q483 | Q483-P485 WeakPolarHBondContact O-CD 3.45Š| ||
| 486 | K | 34.8 | Very low | 44.2 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | trans | -114.7 | 116 | 165.8 | -73.3 | -175.6 | 177.5 | 178.7 | 0 | 108.8 | S484 | S484-K486 PolarHBondContact O-N 2.76Š| ||
| 487 | N | 30.8 | Very low | 42 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -64.2 | 141.1 | 175.7 | -67.8 | -15.6 | 0 | 0 | 0 | 110.4 | ||||
| 488 | P | 38.2 | Very low | 40.1 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | -79.6 | 145.8 | 170.4 | 33.4 | -33.4 | 0 | 0 | 0 | 110.4 | ||||
| 489 | L | 32.7 | Very low | 38.1 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | trans | -150.9 | 141.9 | 155.8 | -126.6 | 143.9 | 0 | 0 | 0 | 112.5 | ||||
| 490 | V | 35.5 | Very low | 36.5 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -76.1 | 151.7 | -173.3 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | A492 | V490-A492 HydrophobicContact CG1-CB 4.4Š| ||
| 491 | P | 32.3 | Very low | 35.1 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -114.4 | 136.8 | 149.7 | 35.5 | -26.4 | 0 | 0 | 0 | 111.8 | ||||
| 492 | A | 29.4 | Very low | 34.1 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 61% | 0.612 | 78% | 0.775 | S | S | * | * | trans | -153.4 | 112.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | V490 | V490-A492 HydrophobicContact CG1-CB 4.4Š| ||
| 493 | Y | 29.9 | Very low | 33.3 | Very low | 221 Ų | 221 | 144 Ų | 144 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | 63.3 | 165.4 | 174.1 | -54.8 | -80.8 | 0 | 0 | 0 | 114.4 | ||||
| 494 | T | 29.8 | Very low | 32.8 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | cis | -144.8 | 156.2 | 22.3 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 495 | D | 27.1 | Very low | 32.8 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 65 | 129.6 | 134.8 | -58.6 | -0 | 0 | 0 | 0 | 125.3 | ||||
| 496 | E | 32.2 | Very low | 32.6 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | 57.7 | 124.9 | 125.9 | -54.4 | -66.2 | 83.1 | 0 | 0 | 123.7 | |||||
| 497 | D | 29.6 | Very low | 32.6 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | 14.7 | 121.5 | 133.7 | -72.6 | 3.8 | 0 | 0 | 0 | 120.9 | ||||
| 498 | S | 34.7 | Very low | 32.6 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | -169.3 | 145.2 | 109.1 | -83.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 499 | E | 31.2 | Very low | 32.6 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | trans | -79.6 | 163.6 | -178.5 | -86.2 | -167.1 | 74.2 | 0 | 0 | 115.6 | ||||
| 500 | S | 31.5 | Very low | 33.1 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | 73.5 | 93.4 | 149.1 | -78 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 501 | K | 31.6 | Very low | 33.3 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | -164.8 | 111.5 | 106 | -105.3 | 161 | -174.3 | 166.8 | 0 | 116.3 | |||||
| 502 | R | 31.6 | Very low | 33.8 | Very low | 220 Ų | 220 | 130.2 Ų | 130.2 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | trans | 66.7 | 112.5 | 131.5 | -67.7 | -178.6 | 179.5 | -158.1 | -2.2 | 121.9 | ||||
| 503 | V | 33.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | 89.4 | 124.2 | 118.5 | 172.5 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 504 | A | 35.2 | Very low | 35.2 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 56% | 0.562 | 71% | 0.712 | S | S | * | * | trans | 92.1 | 112.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 505 | D | 36.6 | Very low | 35.4 | Very low | 104 Ų | 104 | 132 Ų | 132 | 56% | 0.556 | 72% | 0.72 | S | S | * | * | 71 | 104.8 | 118.9 | -48.9 | -10.6 | 0 | 0 | 0 | 121.5 | |||||
| 506 | E | 36.4 | Very low | 36.6 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | 78.7 | 145.3 | 123.9 | -63.1 | -170.1 | 132.6 | 0 | 0 | 124.8 | |||||
| 507 | E | 33.9 | Very low | 36.3 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 55% | 0.551 | 73% | 0.73 | S | S | * | * | trans | 88.1 | 123.1 | 141.6 | -149.3 | 69 | -81.9 | 0 | 0 | 122.9 | T1092 | E507-T1092 PolarHBondContact O-OG1 2.65Š| ||
| 508 | C | 31.9 | Very low | 36.3 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 45% | 0.453 | 73% | 0.731 | S | S | . | * | trans | 21.7 | 126.1 | 162.7 | -66.3 | 0 | 0 | 0 | 0 | 122 | P1090 T1092 | C508-P1090 HydrophobicContact CB-CG 4.45Å; C508-P1090 WeakPolarHBondContact SG-CD 3.21Å; C508-P1090 WeakPolarHBondContact SG-CG 3.3Å; C508-T1092 PolarHBondContact N-OG1 2.86Å | ||
| 509 | D | 38.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 56% | 0.561 | 73% | 0.725 | S | S | * | * | 54.3 | 145.6 | 75.7 | -108.9 | 4.3 | 0 | 0 | 0 | 116 | P1090 | D509-P1090 HydrophobicContact CB-CG 4.21Š| |||
| 510 | P | 43.7 | Very low | 36 | Very low | 106 Ų | 106 | 129 Ų | 129 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | -109.9 | 167.3 | -122.5 | 40.4 | -39.3 | 0 | 0 | 0 | 117.1 | |||||
| 511 | P | 38.2 | Very low | 35.8 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 155.6 | 172.6 | 31.2 | -35.8 | 0 | 0 | 0 | 114.1 | ||
| 512 | P | 43.2 | Very low | 35.8 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 165.9 | -172.1 | 35.7 | -37.8 | 0 | 0 | 0 | 115.1 | ||
| 513 | P | 45.7 | Very low | 35.6 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 147.4 | -178.2 | 33.3 | -36.2 | 0 | 0 | 0 | 114.2 | ||
| 514 | P | 43.5 | Very low | 35.5 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 156.3 | 172.1 | 33.3 | -34.5 | 0 | 0 | 0 | 113.1 | ||
| 515 | K | 34.1 | Very low | 35.3 | Very low | 201 Ų | 201 | 131.8 Ų | 131.8 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 159.3 | 171.5 | -87.3 | -179.2 | 177.9 | 175.8 | 0 | 111.5 | ||
| 516 | P | 51.3 | Low | 34.9 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 154 | -169.5 | 34.5 | -37 | 0 | 0 | 0 | 114.4 | ||
| 517 | Q | 26.3 | Very low | 34.7 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -139.8 | 175.2 | 153.9 | -78.1 | -154.3 | -38.2 | 0 | 0 | 110.5 | ||||
| 518 | V | 29.4 | Very low | 35.4 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -135.4 | 152.8 | -153.4 | -159.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 519 | S | 32.6 | Very low | 35.3 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 72.8 | 156.7 | 170.3 | -45.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 520 | T | 27.6 | Very low | 35 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | cis | -155 | 156.5 | 27.7 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 521 | S | 27.2 | Very low | 35.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | 25.4 | 138.3 | 142.5 | -105.2 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 522 | S | 31.5 | Very low | 35.9 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | 69.1 | 132.3 | 139.6 | -55.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 523 | R | 27.1 | Very low | 36.2 | Very low | 247 Ų | 247 | 137.6 Ų | 137.6 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | 179.3 | 169 | 117.8 | -159.3 | 156.5 | -179 | -172.4 | -1 | 113.2 | |||||
| 524 | M | 32.3 | Very low | 36.6 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -96.3 | -178.3 | -162.4 | -50.7 | 159.9 | 61.8 | 0 | 0 | 116.8 | ||||
| 525 | S | 30.4 | Very low | 36.7 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 91.4 | 151.2 | 151.6 | 77.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 526 | S | 29.3 | Very low | 36.5 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | cis | -142.5 | 150.9 | 9.7 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 527 | V | 31.7 | Very low | 35.4 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -139.8 | 127.4 | -168.1 | -177.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 528 | P | 47.7 | Very low | 35.7 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -100.1 | 172.3 | 161.9 | 38.6 | -31.6 | 0 | 0 | 0 | 111.8 | ||||
| 529 | S | 30.1 | Very low | 35.7 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | cis | -148.2 | 160.5 | -6.5 | 41.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 530 | H | 32.9 | Very low | 35.7 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -83.8 | -173.7 | -175.1 | -49.3 | -86.3 | 0 | 0 | 0 | 113.3 | ||||
| 531 | P | 51.6 | Low | 36.5 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -132.8 | -142.3 | 2.6 | 34.1 | -7.1 | 0 | 0 | 0 | 114.1 | ||||
| 532 | P | 47.6 | Very low | 36.5 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | -126.5 | -153.1 | -92.7 | 49.4 | -31.7 | 0 | 0 | 0 | 113.3 | |||||
| 533 | P | 50.3 | Low | 36.5 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | -122.9 | -109.1 | -117.5 | 25.4 | 3.4 | 0 | 0 | 0 | 119.2 | |||||
| 534 | P | 53.8 | Low | 36.5 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | -121.4 | -147.2 | -129.4 | 43.9 | -23.5 | 0 | 0 | 0 | 111.6 | |||||
| 535 | P | 46.8 | Very low | 36.4 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | cis | -138.6 | 179.3 | -12.7 | 42.8 | -25.5 | 0 | 0 | 0 | 116.6 | ||||
| 536 | Q | 29.3 | Very low | 36.6 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 64.6 | 167.6 | 154 | -74.3 | 170.1 | 50.5 | 0 | 0 | 116.5 | ||||
| 537 | Q | 28.4 | Very low | 36.6 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | cis | -148.3 | 165.2 | -5 | -134.6 | 178.2 | 70.9 | 0 | 0 | 110.1 | ||||
| 538 | L | 31.1 | Very low | 36.8 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | 16.7 | 117.7 | 157.8 | -74.7 | 159.6 | 0 | 0 | 0 | 120.6 | ||||
| 539 | G | 30 | Very low | 36.9 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -178.6 | 98.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 540 | N | 33.1 | Very low | 36.8 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 152.8 | 160.3 | -99.4 | -10.2 | 0 | 0 | 0 | 108.8 | ||||
| 541 | P | 43.8 | Very low | 36.6 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | cis | -148.6 | 168.3 | 45.3 | 43.5 | -25 | 0 | 0 | 0 | 119.3 | ||||
| 542 | M | 27.1 | Very low | 35.7 | Very low | 165 Ų | 165 | 132 Ų | 132 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 82.8 | 142.4 | 143.1 | -128.6 | 169.7 | 70.4 | 0 | 0 | 121.2 | ||||
| 543 | V | 32.2 | Very low | 35.4 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | 71.2 | 113 | 166.2 | -166.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 544 | G | 27.8 | Very low | 34.5 | Very low | 62 Ų | 62 | 133.1 Ų | 133.1 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | trans | 131.3 | 101.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 545 | Y | 30 | Very low | 33.5 | Very low | 232 Ų | 232 | 137.2 Ų | 137.2 | 91% | 0.91 | 78% | 0.782 | S | S | * | * | trans | 51.9 | 106.8 | 155 | -67.2 | -82.8 | 0 | 0 | 0 | 120.6 | ||||
| 546 | P | 34.6 | Very low | 33 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -94.2 | 158.2 | 164.6 | 37 | -32.8 | 0 | 0 | 0 | 113.7 | ||||
| 547 | G | 28.1 | Very low | 33.3 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | 96.1 | 68.4 | 128.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 548 | M | 37.5 | Very low | 33.3 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -87.7 | 168 | 137.1 | -74.7 | -78.1 | -81.6 | 0 | 0 | 108.6 | ||||
| 549 | P | 48.6 | Very low | 33.6 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | cis | -131.6 | -173.2 | -20.9 | 26.2 | -2.8 | 0 | 0 | 0 | 112.7 | ||||
| 550 | L | 27.7 | Very low | 33.8 | Very low | 142 Ų | 142 | 139 Ų | 139 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | 146.2 | 142.1 | 126.2 | -77.7 | 170.2 | 0 | 0 | 0 | 115.9 | |||||
| 551 | Q | 28.4 | Very low | 33.7 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | 57.1 | 121.8 | 150.2 | -67.2 | 174.1 | -1.4 | 0 | 0 | 121.2 | ||||
| 552 | S | 33.9 | Very low | 33.7 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -88.3 | 155.5 | 161.4 | 61.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 553 | P | 41.4 | Very low | 34.1 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | -148.8 | 162.9 | 83.3 | 39.2 | -22.4 | 0 | 0 | 0 | 116.8 | |||||
| 554 | N | 31.9 | Very low | 34.4 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 40.7 | 121.9 | 152.4 | -62.3 | -22.7 | 0 | 0 | 0 | 121.1 | ||||
| 555 | H | 32 | Very low | 34.8 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | -163.9 | 165.7 | 119.4 | -95 | -61 | 0 | 0 | 0 | 110.9 | |||||
| 556 | L | 36.1 | Very low | 35.2 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -78.7 | 162.8 | -177.9 | -68.3 | 159.8 | 0 | 0 | 0 | 112.1 | ||||
| 557 | P | 34.7 | Very low | 35.5 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | -137.8 | 178.4 | 107.3 | 39.6 | -29.8 | 0 | 0 | 0 | 114.6 | |||||
| 558 | L | 30.2 | Very low | 36.1 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -94.9 | 153.5 | -175.8 | -61.3 | 110.5 | 0 | 0 | 0 | 114 | ||||
| 559 | T | 36.8 | Very low | 36.4 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | 11.4 | 142.5 | 147.4 | 62 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 560 | P | 33 | Very low | 36.1 | Very low | 132 Ų | 132 | 136 Ų | 136 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | -101.3 | 159.7 | 126.5 | 33.5 | -32.3 | 0 | 0 | 0 | 112.4 | |||||
| 561 | S | 31.1 | Very low | 37.2 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -103.6 | 167.9 | -179.5 | -97.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 562 | P | 45.4 | Very low | 38.2 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -106.3 | 109 | -149 | 36.8 | -31.8 | 0 | 0 | 0 | 115.8 | ||||
| 563 | L | 34 | Very low | 38.8 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | trans | -142 | 65.8 | 168.8 | -79.8 | 177.4 | 0 | 0 | 0 | 112.9 | ||||
| 564 | S | 39.6 | Very low | 39 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | -171.6 | 38.9 | 158.4 | -82.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 565 | A | 35.5 | Very low | 40 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 129.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 566 | P | 39.7 | Very low | 40.9 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 71% | 0.714 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 152.2 | 170.7 | 27.3 | -33.9 | 0 | 0 | 0 | 110.1 | K568 | P566-K568 PolarHBondContact O-N 2.72Š|
| 567 | P | 40.1 | Very low | 41.4 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -57 | 132.3 | 178.8 | 24.7 | -33.9 | 0 | 0 | 0 | 109.8 | ||
| 568 | K | 40.2 | Very low | 42 | Very low | 196 Ų | 196 | 124 Ų | 124 | 85% | 0.852 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 133.4 | 178.1 | -79.1 | -178.8 | 174.7 | 176.9 | 0 | 109.3 | P566 | P566-K568 PolarHBondContact O-N 2.72Š|
| 569 | P | 44.3 | Very low | 43.4 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 75% | 0.747 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 143.3 | 169.6 | 26.5 | -33.7 | 0 | 0 | 0 | 109.3 | ||
| 570 | F | 42.7 | Very low | 44 | Very low | 135 Ų | 135 | 117 Ų | 117 | 59% | 0.592 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 150.1 | 175.9 | -74.5 | -82.1 | 0 | 0 | 0 | 111.1 | Q574 Q575 | F570-Q574 HydrophobicContact CB-CB 4.09Å; F570-Q574 HydrophobicContact CD1-CB 4.24Å; F570-Q575 HydrophobicContact CB-CG 3.69Å |
| 571 | S | 50.9 | Low | 44.7 | Very low | 43 Ų | 43 | 116.8 Ų | 116.8 | 30% | 0.301 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 144.7 | 171.7 | 174.6 | 0 | 0 | 0 | 0 | 110 | E573 Q574 Q575 | S571-E573 PolarHBondContact O-N 3.18Å; S571-E573 VanDerWaalsContact O-N 3.11Å; S571-E573 PolarHBondContact OG-N 3.1Å; S571-Q574 CarbonylContact O-C 3.58Å; S571-Q574 WeakPolarHBondContact O-CA 3.39Å; S571-Q574 WeakPolarHBondContact O-CB 3.5Å; S571-Q574 PolarHBondContact O-N 3.15Å; S571-Q575 PolarHBondContact O-N 3.08Å |
| 572 | P | 49.2 | Very low | 45.7 | Very low | 103 Ų | 103 | 117 Ų | 117 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -49.2 | -37.7 | 172.3 | -29.3 | 36.2 | 0 | 0 | 0 | 112.8 | Q575 H576 | P572-Q575 PolarHBondContact O-N 3Å; P572-H576 WeakPolarHBondContact O-CB 3.36Å; P572-H576 PolarHBondContact O-N 3.3Å |
| 573 | E | 45.3 | Very low | 46 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 71% | 0.706 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.9 | -36.9 | 175.6 | -64.2 | 171.2 | 117 | 0 | 0 | 112.9 | S571 H576 H577 | S571-E573 PolarHBondContact O-N 3.18Å; S571-E573 VanDerWaalsContact O-N 3.11Å; S571-E573 PolarHBondContact OG-N 3.1Å; E573-H576 PolarHBondContact O-N 2.95Å; E573-H577 WeakPolarHBondContact O-CB 3.46Å; E573-H577 PolarHBondContact O-N 3.21Å |
| 574 | Q | 46.4 | Very low | 46.5 | Very low | 109 Ų | 109 | 117.6 Ų | 117.6 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.7 | -39.5 | 176.5 | -72.4 | 175 | -38 | 0 | 0 | 111.4 | F570 S571 H576 H577 F578 | F570-Q574 HydrophobicContact CB-CB 4.09Å; F570-Q574 HydrophobicContact CD1-CB 4.24Å; S571-Q574 CarbonylContact O-C 3.58Å; S571-Q574 WeakPolarHBondContact O-CA 3.39Å; S571-Q574 WeakPolarHBondContact O-CB 3.5Å; S571-Q574 PolarHBondContact O-N 3.15Å; Q574-H576 VanDerWaalsContact C-N 3.33Å; Q574-H577 PolarHBondContact O-N 2.82Å; Q574-F578 PolarHBondContact O-N 2.72Å |
| 575 | Q | 52.6 | Low | 46.9 | Very low | 116 Ų | 116 | 115.8 Ų | 115.8 | 54% | 0.542 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.8 | -40.1 | 171.6 | -65.8 | -170.3 | -52.5 | 0 | 0 | 111.2 | F570 S571 P572 F578 G579 | F570-Q575 HydrophobicContact CB-CG 3.69Å; S571-Q575 PolarHBondContact O-N 3.08Å; P572-Q575 PolarHBondContact O-N 3Å; Q575-F578 PolarHBondContact O-N 2.91Å; Q575-G579 PolarHBondContact O-N 3.31Å |
| 576 | H | 51.8 | Low | 47.6 | Very low | 126 Ų | 126 | 114.8 Ų | 114.8 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.7 | -41.5 | 175.5 | -146.8 | -80.4 | 0 | 0 | 0 | 111.7 | P572 E573 Q574 M580 | P572-H576 WeakPolarHBondContact O-CB 3.36Å; P572-H576 PolarHBondContact O-N 3.3Å; E573-H576 PolarHBondContact O-N 2.95Å; Q574-H576 VanDerWaalsContact C-N 3.33Å; H576-M580 PolarHBondContact ND1-SD 2.97Å; H576-M580 VanDerWaalsContact O-CB 3.28Å; H576-M580 WeakPolarHBondContact O-CB 3.37Å; H576-M580 WeakPolarHBondContact O-CG 3.48Å; H576-M580 PolarHBondContact O-N 3.25Å |
| 577 | H | 47 | Very low | 47.8 | Very low | 122 Ų | 122 | 116.5 Ų | 116.5 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.6 | -39.8 | 175.2 | -109.1 | 52 | 0 | 0 | 0 | 113.3 | E573 Q574 K581 | E573-H577 WeakPolarHBondContact O-CB 3.46Å; E573-H577 PolarHBondContact O-N 3.21Å; Q574-H577 PolarHBondContact O-N 2.82Å; H577-K581 WeakPolarHBondContact O-CG 3.44Å; H577-K581 PolarHBondContact O-N 3.46Å; H577-K581 VanDerWaalsContact O-N 3.15Å |
| 578 | F | 46.3 | Very low | 47.8 | Very low | 146 Ų | 146 | 118.1 Ų | 118.1 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.2 | -42.9 | 175.9 | -125.8 | -85.9 | 0 | 0 | 0 | 111.4 | Q574 Q575 K581 M582 | Q574-F578 PolarHBondContact O-N 2.72Å; Q575-F578 PolarHBondContact O-N 2.91Å; F578-K581 PolarHBondContact O-N 3.49Å; F578-M582 HydrophobicContact CD1-CG 4.41Å; F578-M582 VanDerWaalsContact O-CG 3.3Å; F578-M582 WeakPolarHBondContact O-CG 3.28Å; F578-M582 PolarHBondContact O-N 3.25Å |
| 579 | G | 59.3 | Low | 48.1 | Very low | 33 Ų | 33 | 115 Ų | 115 | 34% | 0.34 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q575 R583 | Q575-G579 PolarHBondContact O-N 3.31Å; G579-R583 VanDerWaalsContact O-CB 3.29Å; G579-R583 WeakPolarHBondContact O-CB 3.19Å; G579-R583 PolarHBondContact O-N 2.67Å |
| 580 | M | 49.3 | Very low | 48.2 | Very low | 87 Ų | 87 | 115 Ų | 115 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 172.9 | -77.3 | 174 | 68.2 | 0 | 0 | 111.2 | H576 M582 R583 E584 | H576-M580 PolarHBondContact ND1-SD 2.97Å; H576-M580 VanDerWaalsContact O-CB 3.28Å; H576-M580 WeakPolarHBondContact O-CB 3.37Å; H576-M580 WeakPolarHBondContact O-CG 3.48Å; H576-M580 PolarHBondContact O-N 3.25Å; M580-M582 PolarHBondContact O-N 2.89Å; M580-R583 PolarHBondContact O-N 3.38Å; M580-R583 VanDerWaalsContact O-N 3.14Å; M580-E584 WeakPolarHBondContact O-CG 3.32Å; M580-E584 PolarHBondContact O-N 3.01Å |
| 581 | K | 48.7 | Very low | 48.3 | Very low | 129 Ų | 129 | 112 Ų | 112 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | -180 | -74.4 | -176 | 176.4 | -169.9 | 0 | 113.1 | H577 F578 R583 E584 T585 | H577-K581 WeakPolarHBondContact O-CG 3.44Å; H577-K581 PolarHBondContact O-N 3.46Å; H577-K581 VanDerWaalsContact O-N 3.15Å; F578-K581 PolarHBondContact O-N 3.49Å; K581-R583 VanDerWaalsContact C-N 3.33Å; K581-R583 PolarHBondContact O-N 2.97Å; K581-E584 PolarHBondContact O-N 3.03Å; K581-T585 PolarHBondContact O-N 2.87Å; K581-T585 PolarHBondContact O-OG1 3.32Å; K581-T585 VanDerWaalsContact O-OG1 3.13Å |
| 582 | M | 50.9 | Low | 47.8 | Very low | 115 Ų | 115 | 117 Ų | 117 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.5 | -43.4 | 173.6 | -70.7 | -66.6 | -66.4 | 0 | 0 | 111.3 | F578 M580 T585 S586 | F578-M582 HydrophobicContact CD1-CG 4.41Å; F578-M582 VanDerWaalsContact O-CG 3.3Å; F578-M582 WeakPolarHBondContact O-CG 3.28Å; F578-M582 PolarHBondContact O-N 3.25Å; M580-M582 PolarHBondContact O-N 2.89Å; M582-T585 WeakPolarHBondContact CA-OG1 3.41Å; M582-T585 PolarHBondContact O-N 3.09Å; M582-T585 PolarHBondContact O-OG1 2.84Å; M582-S586 PolarHBondContact O-N 3.46Å; M582-S586 PolarHBondContact O-OG 2.91Å |
| 583 | R | 53.3 | Low | 47.6 | Very low | 191 Ų | 191 | 121.1 Ų | 121.1 | 72% | 0.721 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.9 | -39 | 178.8 | -167.8 | 176.2 | -66.5 | 160.2 | -0.5 | 112.7 | G579 M580 K581 S586 Y587 | G579-R583 VanDerWaalsContact O-CB 3.29Å; G579-R583 WeakPolarHBondContact O-CB 3.19Å; G579-R583 PolarHBondContact O-N 2.67Å; M580-R583 PolarHBondContact O-N 3.38Å; M580-R583 VanDerWaalsContact O-N 3.14Å; K581-R583 VanDerWaalsContact C-N 3.33Å; K581-R583 PolarHBondContact O-N 2.97Å; R583-S586 PolarHBondContact O-N 3.37Å; R583-Y587 WeakPolarHBondContact O-CB 3.37Å; R583-Y587 PolarHBondContact O-N 3.32Å |
| 584 | E | 43.7 | Very low | 47.4 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61 | -43.6 | 170.9 | -73.6 | 179.6 | 121.1 | 0 | 0 | 111.3 | M580 K581 S586 Y587 W588 | M580-E584 WeakPolarHBondContact O-CG 3.32Å; M580-E584 PolarHBondContact O-N 3.01Å; K581-E584 PolarHBondContact O-N 3.03Å; E584-S586 VanDerWaalsContact C-N 3.31Å; E584-S586 PolarHBondContact O-N 2.86Å; E584-Y587 PolarHBondContact O-N 3.4Å; E584-W588 PolarHBondContact O-N 2.91Å; E584-W588 VanDerWaalsContact O-N 3.16Å |
| 585 | T | 47.1 | Very low | 46.8 | Very low | 87 Ų | 87 | 123.6 Ų | 123.6 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.9 | -27.1 | 177.3 | 51.3 | 0 | 0 | 0 | 0 | 114 | K581 M582 K589 | K581-T585 PolarHBondContact O-N 2.87Å; K581-T585 PolarHBondContact O-OG1 3.32Å; K581-T585 VanDerWaalsContact O-OG1 3.13Å; M582-T585 WeakPolarHBondContact CA-OG1 3.41Å; M582-T585 PolarHBondContact O-N 3.09Å; M582-T585 PolarHBondContact O-OG1 2.84Å; T585-K589 WeakPolarHBondContact O-CB 3.37Å |
| 586 | S | 51.5 | Low | 46.2 | Very low | 65 Ų | 65 | 123.7 Ų | 123.7 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.8 | -46.8 | 169.4 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | M582 R583 E584 W588 K589 E590 | M582-S586 PolarHBondContact O-N 3.46Å; M582-S586 PolarHBondContact O-OG 2.91Å; R583-S586 PolarHBondContact O-N 3.37Å; E584-S586 VanDerWaalsContact C-N 3.31Å; E584-S586 PolarHBondContact O-N 2.86Å; S586-W588 PolarHBondContact O-N 2.79Å; S586-K589 CarbonylContact O-C 3.5Å; S586-K589 WeakPolarHBondContact O-CA 3.41Å; S586-K589 WeakPolarHBondContact O-CB 3.19Å; S586-K589 PolarHBondContact O-N 3.41Å; S586-E590 PolarHBondContact O-N 3.39Å |
| 587 | Y | 42.3 | Very low | 45.6 | Very low | 146 Ų | 146 | 127 Ų | 127 | 57% | 0.573 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58.7 | -44.5 | -175.8 | -174.8 | -109.3 | 0 | 0 | 0 | 113 | R583 E584 K589 E590 L591 | R583-Y587 WeakPolarHBondContact O-CB 3.37Å; R583-Y587 PolarHBondContact O-N 3.32Å; E584-Y587 PolarHBondContact O-N 3.4Å; Y587-K589 PolarHBondContact O-N 2.89Å; Y587-E590 PolarHBondContact O-N 3.06Å; Y587-L591 HydrophobicContact CD1-CD1 3.87Å; Y587-L591 HydrophobicContact CE1-CD1 3.49Å; Y587-L591 VanDerWaalsContact CE1-CD1 3.49Å; Y587-L591 PolarHBondContact O-N 2.99Å |
| 588 | W | 41.4 | Very low | 45.3 | Very low | 159 Ų | 159 | 126.6 Ų | 126.6 | 60% | 0.602 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.3 | -26.1 | 174.1 | -72.6 | 111.5 | 0 | 0 | 0 | 113.4 | E584 S586 L591 E592 | E584-W588 PolarHBondContact O-N 2.91Å; E584-W588 VanDerWaalsContact O-N 3.16Å; S586-W588 PolarHBondContact O-N 2.79Å; W588-L591 HydrophobicContact CE3-CD1 4.2Å; W588-L591 HydrophobicContact CZ3-CD1 4.33Å; W588-E592 WeakPolarHBondContact O-CB 3.44Å; W588-E592 PolarHBondContact O-N 3.15Å; W588-E592 VanDerWaalsContact O-N 3.17Å |
| 589 | K | 45.4 | Very low | 45.1 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -89.9 | -10.2 | -179.4 | -157.7 | 172.2 | -171.7 | 175.5 | 0 | 113.7 | T585 S586 Y587 | T585-K589 WeakPolarHBondContact O-CB 3.37Å; S586-K589 CarbonylContact O-C 3.5Å; S586-K589 WeakPolarHBondContact O-CA 3.41Å; S586-K589 WeakPolarHBondContact O-CB 3.19Å; S586-K589 PolarHBondContact O-N 3.41Å; Y587-K589 PolarHBondContact O-N 2.89Å |
| 590 | E | 47.9 | Very low | 44.3 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 54% | 0.542 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -88.3 | -41 | 165.1 | -70.6 | 175.8 | 125.2 | 0 | 0 | 110.6 | S586 Y587 E592 R593 L594 | S586-E590 PolarHBondContact O-N 3.39Å; Y587-E590 PolarHBondContact O-N 3.06Å; E590-E592 VanDerWaalsContact C-N 3.32Å; E590-E592 PolarHBondContact O-N 3.33Å; E590-R593 WeakPolarHBondContact O-CA 3.47Å; E590-R593 WeakPolarHBondContact O-CB 3.19Å; E590-R593 PolarHBondContact O-N 3.22Å; E590-L594 WeakPolarHBondContact O-CG 3.37Å; E590-L594 PolarHBondContact O-N 2.91Å; E590-L594 VanDerWaalsContact O-N 3.12Å |
| 591 | L | 43.6 | Very low | 44.1 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 38% | 0.382 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -56 | -44.4 | 170.7 | -94.2 | 147.4 | 0 | 0 | 0 | 112.2 | Y587 W588 R593 L594 | Y587-L591 HydrophobicContact CD1-CD1 3.87Å; Y587-L591 HydrophobicContact CE1-CD1 3.49Å; Y587-L591 VanDerWaalsContact CE1-CD1 3.49Å; Y587-L591 PolarHBondContact O-N 2.99Å; W588-L591 HydrophobicContact CE3-CD1 4.2Å; W588-L591 HydrophobicContact CZ3-CD1 4.33Å; L591-R593 PolarHBondContact O-N 3.44Å; L591-L594 PolarHBondContact O-N 3.3Å |
| 592 | E | 41 | Very low | 43.9 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.9 | -18.2 | 175.3 | -168.2 | 171.3 | -123.7 | 0 | 0 | 113.5 | W588 E590 | W588-E592 WeakPolarHBondContact O-CB 3.44Å; W588-E592 PolarHBondContact O-N 3.15Å; W588-E592 VanDerWaalsContact O-N 3.17Å; E590-E592 VanDerWaalsContact C-N 3.32Å; E590-E592 PolarHBondContact O-N 3.33Å |
| 593 | R | 44.5 | Very low | 43.5 | Very low | 188 Ų | 188 | 131.5 Ų | 131.5 | 71% | 0.709 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -91.7 | -17.1 | 171.8 | -83.2 | -168.6 | 169.5 | 107 | -11.2 | 114.4 | E590 L591 T596 | E590-R593 WeakPolarHBondContact O-CA 3.47Å; E590-R593 WeakPolarHBondContact O-CB 3.19Å; E590-R593 PolarHBondContact O-N 3.22Å; L591-R593 PolarHBondContact O-N 3.44Å; R593-T596 PolarHBondContact O-OG1 3.36Å |
| 594 | L | 42 | Very low | 42.9 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 75% | 0.754 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -93.3 | -3.7 | -177.4 | -72.5 | 166.2 | 0 | 0 | 0 | 113 | E590 L591 | E590-L594 WeakPolarHBondContact O-CG 3.37Å; E590-L594 PolarHBondContact O-N 2.91Å; E590-L594 VanDerWaalsContact O-N 3.12Å; L591-L594 PolarHBondContact O-N 3.3Å |
| 595 | E | 34.2 | Very low | 42.6 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | trans | -92.1 | -6.8 | -179.5 | -136 | 164.9 | -159.4 | 0 | 0 | 113.9 | K597 | E595-K597 PolarHBondContact O-N 3.11Š| ||
| 596 | T | 38.8 | Very low | 42.1 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 73% | 0.73 | 65% | 0.645 | S | S | * | * | trans | -72.3 | 111.5 | 168.5 | 35.9 | 0 | 0 | 0 | 0 | 111.6 | R593 | R593-T596 PolarHBondContact O-OG1 3.36Š| ||
| 597 | K | 40.3 | Very low | 41.7 | Very low | 195 Ų | 195 | 138.5 Ų | 138.5 | 85% | 0.848 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -66 | 144.9 | 176.5 | -59.9 | 174.3 | -176 | 172.7 | 0 | 111.6 | E595 | E595-K597 PolarHBondContact O-N 3.11Š|
| 598 | P | 39 | Very low | 41.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 143.2 | 168.4 | 30.2 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 599 | D | 42.1 | Very low | 41.2 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 46% | 0.455 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -73.1 | 128 | 175.9 | 170.9 | 17.3 | 0 | 0 | 0 | 111.1 | E601 K602 | D599-E601 PolarHBondContact OD1-N 3.49Å; D599-K602 WeakPolarHBondContact OD2-CD 3.27Å; D599-K602 IonicContact OD2-NZ 2.67Å |
| 600 | V | 43.7 | Very low | 40.6 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 70% | 0.697 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -90.3 | -20 | -171.5 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 601 | E | 44 | Very low | 39.8 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -76.9 | -33.4 | -173.7 | -61.5 | -150.4 | 128.5 | 0 | 0 | 112.7 | D599 L603 K604 Q605 | D599-E601 PolarHBondContact OD1-N 3.49Å; E601-L603 PolarHBondContact O-N 2.87Å; E601-K604 WeakPolarHBondContact O-CB 3.34Å; E601-K604 PolarHBondContact O-N 3.32Å; E601-Q605 PolarHBondContact O-N 2.83Å |
| 602 | K | 44.9 | Very low | 39.1 | Very low | 146 Ų | 146 | 133 Ų | 133 | 64% | 0.635 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -64.1 | -36.9 | 177.3 | -72.1 | 174.7 | -177.5 | 165.6 | 0 | 113.3 | D599 K604 Q605 Q606 | D599-K602 WeakPolarHBondContact OD2-CD 3.27Å; D599-K602 IonicContact OD2-NZ 2.67Å; K602-K604 PolarHBondContact O-N 2.97Å; K602-Q605 PolarHBondContact O-N 2.88Å; K602-Q606 PolarHBondContact O-N 2.81Å |
| 603 | L | 42 | Very low | 38.4 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 61% | 0.607 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -64.3 | -27.4 | 172.6 | -96.2 | 151 | 0 | 0 | 0 | 112.8 | E601 | E601-L603 PolarHBondContact O-N 2.87Å |
| 604 | K | 41 | Very low | 37.6 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -78.2 | -30.5 | 178.6 | -156.8 | 174.3 | -177.6 | -178.9 | 0 | 112.6 | E601 K602 S608 | E601-K604 WeakPolarHBondContact O-CB 3.34Å; E601-K604 PolarHBondContact O-N 3.32Å; K602-K604 PolarHBondContact O-N 2.97Å; K604-S608 PolarHBondContact O-OG 3.22Å |
| 605 | Q | 37.8 | Very low | 36.9 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -68.7 | -39.8 | 174.6 | -84.8 | -175.3 | -14.6 | 0 | 0 | 113 | E601 K602 L607 S608 | E601-Q605 PolarHBondContact O-N 2.83Å; K602-Q605 PolarHBondContact O-N 2.88Å; Q605-L607 VanDerWaalsContact C-N 3.28Å; Q605-L607 PolarHBondContact O-N 2.92Å; Q605-S608 WeakPolarHBondContact O-CB 3.36Å; Q605-S608 PolarHBondContact O-N 3.33Å; Q605-S608 VanDerWaalsContact O-N 3.09Å |
| 606 | Q | 37.4 | Very low | 36.7 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -67.2 | -24.9 | -179.2 | -71.6 | -169.7 | -76.9 | 0 | 0 | 114.3 | K602 S608 S609 | K602-Q606 PolarHBondContact O-N 2.81Å; Q606-S608 VanDerWaalsContact C-N 3.3Å; Q606-S609 PolarHBondContact O-OG 2.78Å |
| 607 | L | 41.7 | Very low | 36.2 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -2.8 | 174.8 | -70.8 | 168.9 | 0 | 0 | 0 | 113.6 | Q605 | Q605-L607 VanDerWaalsContact C-N 3.28Å; Q605-L607 PolarHBondContact O-N 2.92Å |
| 608 | S | 37.8 | Very low | 35.6 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -3.3 | -175.1 | -59.8 | 0 | 0 | 0 | 0 | 114.2 | K604 Q605 Q606 | K604-S608 PolarHBondContact O-OG 3.22Å; Q605-S608 WeakPolarHBondContact O-CB 3.36Å; Q605-S608 PolarHBondContact O-N 3.33Å; Q605-S608 VanDerWaalsContact O-N 3.09Å; Q606-S608 VanDerWaalsContact C-N 3.3Å |
| 609 | S | 36.1 | Very low | 35 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -116 | 7.2 | -166.7 | 50.5 | 0 | 0 | 0 | 0 | 115.6 | Q606 | Q606-S609 PolarHBondContact O-OG 2.78Š|
| 610 | S | 32.7 | Very low | 34.3 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -122.3 | 35.4 | -171.2 | 52.8 | 0 | 0 | 0 | 0 | 115 | ||
| 611 | S | 31 | Very low | 34.7 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | -146.9 | 73.7 | 175.4 | 49.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 612 | S | 28.3 | Very low | 34.8 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -156.8 | 143.5 | 165.4 | 61 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 613 | S | 27.7 | Very low | 34 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 71.5 | 141 | -178 | 83.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 614 | S | 26.8 | Very low | 33.2 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | cis | -140.9 | 164.1 | 9.3 | -70.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 615 | Q | 28.2 | Very low | 32.5 | Very low | 197 Ų | 197 | 122.5 Ų | 122.5 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | trans | -146.2 | 128.7 | 176.5 | -178.7 | -173.8 | 7.5 | 0 | 0 | 110.7 | ||||
| 616 | A | 28.6 | Very low | 32.1 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | trans | 168 | 122.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 617 | E | 28.6 | Very low | 31.5 | Very low | 193 Ų | 193 | 123 Ų | 123 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | 73.1 | 138.8 | 75.5 | -73.9 | -164.8 | 162.1 | 0 | 0 | 115 | |||||
| 618 | A | 28.6 | Very low | 31.1 | Very low | 86 Ų | 86 | 120.4 Ų | 120.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | -165.6 | 160.8 | -12 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 619 | S | 26.1 | Very low | 30.7 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 92% | 0.923 | 78% | 0.78 | S | S | * | * | trans | -169.7 | 148.4 | 156.7 | -81 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 620 | D | 28 | Very low | 30.2 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -133.7 | -174.9 | -167.1 | -133.6 | -13.7 | 0 | 0 | 0 | 109 | ||||
| 621 | P | 51.8 | Low | 31.1 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | cis | -131.1 | -147.1 | -18.3 | 38.1 | -14.9 | 0 | 0 | 0 | 109.9 | ||||
| 622 | P | 44.9 | Very low | 31.1 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | cis | -141 | 178.3 | -6.3 | 43.4 | -24.4 | 0 | 0 | 0 | 119.2 | ||||
| 623 | S | 29.1 | Very low | 31.2 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 79.9 | 135.3 | 156 | -59.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 624 | T | 25.3 | Very low | 32.1 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | cis | -159.5 | 158 | 4.7 | 6.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 625 | S | 26.6 | Very low | 32 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 66.8 | 114.5 | 152.4 | 55.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 626 | T | 28.8 | Very low | 32 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | 32.9 | 150.9 | 122.9 | 14.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 627 | E | 26 | Very low | 32 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | cis | -151.8 | 179.9 | 16.9 | -158.1 | 162.5 | 127.1 | 0 | 0 | 111.7 | ||||
| 628 | A | 31.7 | Very low | 31.8 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -125.4 | 157.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 629 | Q | 29.1 | Very low | 31.8 | Very low | 201 Ų | 201 | 127.5 Ų | 127.5 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -165.1 | 159.2 | 146.9 | -112.2 | 171 | 37.6 | 0 | 0 | 112.8 | ||||
| 630 | D | 26.8 | Very low | 32.1 | Very low | 149 Ų | 149 | 127 Ų | 127 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -150.1 | -171.6 | -170 | -160.5 | 22.7 | 0 | 0 | 0 | 110.7 | ||||
| 631 | P | 51.8 | Low | 32.2 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | -107.2 | -175.1 | -104.5 | 37.3 | -21.1 | 0 | 0 | 0 | 115.2 | |||||
| 632 | P | 30.6 | Very low | 31.1 | Very low | 132 Ų | 132 | 126 Ų | 126 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | -144.9 | 172.4 | 128.5 | 36.4 | -20.6 | 0 | 0 | 0 | 117.7 | |||||
| 633 | K | 30.4 | Very low | 30.6 | Very low | 202 Ų | 202 | 126.9 Ų | 126.9 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | -146.9 | -176.3 | 177.8 | -118.9 | 174.2 | -176.6 | 168 | 0 | 106.9 | ||||
| 634 | P | 45.7 | Very low | 30.6 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | cis | -133.8 | -169.6 | -24.7 | 41.2 | -23.8 | 0 | 0 | 0 | 113.1 | ||||
| 635 | S | 24.9 | Very low | 30.9 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 147.8 | 162.9 | 149.3 | 54.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 636 | S | 29.3 | Very low | 31.7 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | cis | -165.6 | 132.5 | -39.5 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 637 | S | 27.3 | Very low | 32 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 48.2 | 127.8 | 152.4 | 64.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 638 | S | 25.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 138 Ų | 138 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | -161.9 | 168 | 129.7 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 639 | A | 27.4 | Very low | 33.3 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -127.7 | 161.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 640 | P | 33.1 | Very low | 34 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 158.8 | -159.6 | 36.6 | -37 | 0 | 0 | 0 | 116.4 | ||
| 641 | P | 29.2 | Very low | 34.8 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -92 | 160.7 | 171.6 | 36.5 | -34.5 | 0 | 0 | 0 | 114.3 | ||
| 642 | P | 29.5 | Very low | 34.5 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 162.6 | -170.4 | 35.2 | -37.4 | 0 | 0 | 0 | 116 | ||
| 643 | P | 33.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -84 | 163.3 | -171 | 34.1 | -37.8 | 0 | 0 | 0 | 115.5 | ||
| 644 | K | 29.1 | Very low | 36.3 | Very low | 212 Ų | 212 | 124.8 Ų | 124.8 | 92% | 0.922 | 75% | 0.749 | S | S | * | * | trans | -124.5 | 153.1 | 169.8 | -74.3 | -176.6 | 178.4 | 175.8 | 0 | 112.4 | ||||
| 645 | K | 32.9 | Very low | 36.6 | Very low | 210 Ų | 210 | 127 Ų | 127 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | trans | -73 | 148.2 | -153.4 | -60 | 175.7 | 179.2 | -179.4 | 0 | 115.3 | ||||
| 646 | K | 42.4 | Very low | 38.2 | Very low | 205 Ų | 205 | 126.8 Ų | 126.8 | 89% | 0.891 | 74% | 0.736 | S | S | * | * | trans | -68.9 | 153.2 | 167 | -61.5 | 177.4 | 178.6 | 178.9 | 0 | 111.6 | ||||
| 647 | L | 36.3 | Very low | 39 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 97% | 0.969 | 74% | 0.735 | S | S | * | * | trans | -164.3 | 137.5 | 155.6 | -110.2 | 154.3 | 0 | 0 | 0 | 110.2 | ||||
| 648 | G | 41.3 | Very low | 40 | Very low | 60 Ų | 60 | 126.6 Ų | 126.6 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 122.7 | -10.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 649 | L | 43.3 | Very low | 41.5 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -74.5 | -41.8 | -169.9 | -152.2 | 76.7 | 0 | 0 | 0 | 114.5 | A651 A652 I653 | L649-A651 VanDerWaalsContact C-N 3.35Å; L649-A651 PolarHBondContact O-N 2.93Å; L649-A652 WeakPolarHBondContact O-CB 3.39Å; L649-A652 PolarHBondContact O-N 3.48Å; L649-A652 VanDerWaalsContact O-N 3.13Å; L649-I653 HydrophobicContact CD2-CD1 4.23Å; L649-I653 HydrophobicContact CG-CD1 4.27Å; L649-I653 PolarHBondContact O-N 2.89Å |
| 650 | E | 44 | Very low | 42.7 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -63.2 | -37.3 | -171.1 | -62.4 | -179.4 | 154.3 | 0 | 0 | 113.2 | A652 I653 S654 | E650-A652 PolarHBondContact O-N 2.81Å; E650-A652 VanDerWaalsContact O-N 3.15Å; E650-I653 PolarHBondContact O-N 3.28Å; E650-S654 PolarHBondContact O-N 3Å; E650-S654 PolarHBondContact O-OG 3.02Å |
| 651 | A | 42.8 | Very low | 43.8 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -65.3 | -17.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L649 | L649-A651 VanDerWaalsContact C-N 3.35Å; L649-A651 PolarHBondContact O-N 2.93Å |
| 652 | A | 44.8 | Very low | 44.8 | Very low | 51 Ų | 51 | 130.5 Ų | 130.5 | 42% | 0.421 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -82.6 | -45.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L649 E650 S654 K655 I656 | L649-A652 WeakPolarHBondContact O-CB 3.39Å; L649-A652 PolarHBondContact O-N 3.48Å; L649-A652 VanDerWaalsContact O-N 3.13Å; E650-A652 PolarHBondContact O-N 2.81Å; E650-A652 VanDerWaalsContact O-N 3.15Å; A652-S654 PolarHBondContact O-N 2.89Å; A652-K655 PolarHBondContact O-N 3.05Å; A652-K655 VanDerWaalsContact O-N 3.12Å; A652-I656 WeakPolarHBondContact O-CG1 3.32Å; A652-I656 PolarHBondContact O-N 3.01Å; A652-I656 VanDerWaalsContact O-N 3.12Å |
| 653 | I | 48.8 | Very low | 46 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 47% | 0.472 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -60 | -44.8 | -178.5 | -62.2 | 169.3 | 0 | 0 | 0 | 111.2 | L649 E650 K655 I656 R657 | L649-I653 HydrophobicContact CD2-CD1 4.23Å; L649-I653 HydrophobicContact CG-CD1 4.27Å; L649-I653 PolarHBondContact O-N 2.89Å; E650-I653 PolarHBondContact O-N 3.28Å; I653-K655 VanDerWaalsContact C-N 3.27Å; I653-K655 PolarHBondContact O-N 3.41Å; I653-I656 PolarHBondContact O-N 3.43Å; I653-R657 PolarHBondContact O-N 3.23Å |
| 654 | S | 49.9 | Very low | 47 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 59% | 0.587 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -61.3 | -33 | 177.1 | -52.5 | 0 | 0 | 0 | 0 | 113.3 | E650 A652 G658 | E650-S654 PolarHBondContact O-N 3Å; E650-S654 PolarHBondContact O-OG 3.02Å; A652-S654 PolarHBondContact O-N 2.89Å; S654-G658 PolarHBondContact O-N 2.89Å; S654-G658 VanDerWaalsContact O-N 3.11Å |
| 655 | K | 52.8 | Low | 48.1 | Very low | 156 Ų | 156 | 123 Ų | 123 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.7 | -37.2 | 177.4 | -73.3 | 178.1 | 179.2 | 174.2 | 0 | 112.3 | A652 I653 Q659 | A652-K655 PolarHBondContact O-N 3.05Å; A652-K655 VanDerWaalsContact O-N 3.12Å; I653-K655 VanDerWaalsContact C-N 3.27Å; I653-K655 PolarHBondContact O-N 3.41Å; K655-Q659 PolarHBondContact O-N 3.44Å |
| 656 | I | 58.8 | Low | 48.9 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 57% | 0.569 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.4 | -48.7 | 175.9 | -65 | 166.1 | 0 | 0 | 0 | 109.8 | A652 I653 G658 Q659 Q660 | A652-I656 WeakPolarHBondContact O-CG1 3.32Å; A652-I656 PolarHBondContact O-N 3.01Å; A652-I656 VanDerWaalsContact O-N 3.12Å; I653-I656 PolarHBondContact O-N 3.43Å; I656-G658 PolarHBondContact O-N 3.27Å; I656-Q659 PolarHBondContact O-N 3.37Å; I656-Q659 VanDerWaalsContact O-N 3.16Å; I656-Q660 PolarHBondContact O-N 2.69Å |
| 657 | R | 45 | Very low | 49.2 | Very low | 183 Ų | 183 | 116 Ų | 116 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -55.8 | -47.1 | 175.9 | -179.3 | 176.9 | -81.8 | -170.5 | -4.2 | 111.9 | I653 Q659 Q660 E661 | I653-R657 PolarHBondContact O-N 3.23Å; R657-Q659 VanDerWaalsContact C-N 3.3Å; R657-Q659 PolarHBondContact O-N 3.15Å; R657-Q660 PolarHBondContact O-N 3.05Å; R657-E661 PolarHBondContact O-N 3.28Å |
| 658 | G | 50.3 | Low | 49.6 | Very low | 30 Ų | 30 | 112.4 Ų | 112.4 | 31% | 0.309 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.1 | -28.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S654 I656 Q662 | S654-G658 PolarHBondContact O-N 2.89Å; S654-G658 VanDerWaalsContact O-N 3.11Å; I656-G658 PolarHBondContact O-N 3.27Å; G658-Q662 WeakPolarHBondContact O-CG 3.44Å; G658-Q662 PolarHBondContact O-N 3.38Å |
| 659 | Q | 56.6 | Low | 49.5 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -77.6 | -38.7 | 172.9 | -73.5 | -174.5 | -8.4 | 0 | 0 | 112.3 | K655 I656 R657 E661 Q662 A663 | K655-Q659 PolarHBondContact O-N 3.44Å; I656-Q659 PolarHBondContact O-N 3.37Å; I656-Q659 VanDerWaalsContact O-N 3.16Å; R657-Q659 VanDerWaalsContact C-N 3.3Å; R657-Q659 PolarHBondContact O-N 3.15Å; Q659-E661 VanDerWaalsContact C-N 3.35Å; Q659-Q662 PolarHBondContact O-N 3.28Å; Q659-A663 PolarHBondContact O-N 3.37Å |
| 660 | Q | 51.2 | Low | 49.5 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 60% | 0.598 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.1 | -40.6 | 176.7 | -167.6 | 175.8 | 13.2 | 0 | 0 | 111.7 | I656 R657 A663 L664 | I656-Q660 PolarHBondContact O-N 2.69Å; R657-Q660 PolarHBondContact O-N 3.05Å; Q660-A663 WeakPolarHBondContact O-CB 3.42Å; Q660-A663 PolarHBondContact O-N 3.31Å; Q660-L664 PolarHBondContact O-N 3.1Å |
| 661 | E | 57.8 | Low | 49.3 | Very low | 136 Ų | 136 | 114.5 Ų | 114.5 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66 | -41.8 | 177.8 | -168.7 | 168.6 | -160.2 | 0 | 0 | 112.5 | R657 Q659 A663 L664 Q665 | R657-E661 PolarHBondContact O-N 3.28Å; Q659-E661 VanDerWaalsContact C-N 3.35Å; E661-A663 VanDerWaalsContact C-N 3.31Å; E661-A663 PolarHBondContact O-N 3.47Å; E661-L664 PolarHBondContact O-N 3.29Å; E661-Q665 WeakPolarHBondContact O-CB 3.44Å; E661-Q665 PolarHBondContact O-N 2.91Å |
| 662 | Q | 50.1 | Low | 49.1 | Very low | 140 Ų | 140 | 118.8 Ų | 118.8 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67 | -29.6 | 173.3 | -72.3 | -172.9 | 8.7 | 0 | 0 | 113.3 | G658 Q659 K666 | G658-Q662 WeakPolarHBondContact O-CG 3.44Å; G658-Q662 PolarHBondContact O-N 3.38Å; Q659-Q662 PolarHBondContact O-N 3.28Å; Q662-K666 PolarHBondContact O-N 3.46Å |
| 663 | A | 54.2 | Low | 48.6 | Very low | 59 Ų | 59 | 121.2 Ų | 121.2 | 49% | 0.488 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.1 | -47.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q659 Q660 E661 Q665 K666 Q667 | Q659-A663 PolarHBondContact O-N 3.37Å; Q660-A663 WeakPolarHBondContact O-CB 3.42Å; Q660-A663 PolarHBondContact O-N 3.31Å; E661-A663 VanDerWaalsContact C-N 3.31Å; E661-A663 PolarHBondContact O-N 3.47Å; A663-Q665 VanDerWaalsContact C-N 3.33Å; A663-Q665 PolarHBondContact O-N 2.9Å; A663-K666 PolarHBondContact O-N 2.71Å; A663-Q667 PolarHBondContact O-N 3.5Å |
| 664 | L | 55 | Low | 48.1 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -56.9 | -45.7 | 175.1 | -116.8 | 80.9 | 0 | 0 | 0 | 111.9 | Q660 E661 K666 Q667 L668 | Q660-L664 PolarHBondContact O-N 3.1Å; E661-L664 PolarHBondContact O-N 3.29Å; L664-K666 VanDerWaalsContact C-N 3.32Å; L664-K666 PolarHBondContact O-N 3.14Å; L664-Q667 WeakPolarHBondContact O-CB 3.21Å; L664-Q667 PolarHBondContact O-N 3.32Å; L664-L668 PolarHBondContact O-N 3.18Å |
| 665 | Q | 52.7 | Low | 47.2 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.5 | -35.4 | -178.6 | -163.6 | 169.3 | 78.1 | 0 | 0 | 112.2 | E661 A663 Q669 | E661-Q665 WeakPolarHBondContact O-CB 3.44Å; E661-Q665 PolarHBondContact O-N 2.91Å; A663-Q665 VanDerWaalsContact C-N 3.33Å; A663-Q665 PolarHBondContact O-N 2.9Å; Q665-Q669 PolarHBondContact O-N 3.13Å |
| 666 | K | 48.9 | Very low | 46.4 | Very low | 149 Ų | 149 | 122.6 Ų | 122.6 | 65% | 0.648 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.5 | -25.3 | 171.2 | -91.8 | -177.9 | 174.1 | 174.2 | 0 | 114.4 | Q662 A663 L664 Q670 | Q662-K666 PolarHBondContact O-N 3.46Å; A663-K666 PolarHBondContact O-N 2.71Å; L664-K666 VanDerWaalsContact C-N 3.32Å; L664-K666 PolarHBondContact O-N 3.14Å; K666-Q670 WeakPolarHBondContact O-CG 3.38Å; K666-Q670 PolarHBondContact O-NE2 2.78Å |
| 667 | Q | 48 | Very low | 44.9 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 55% | 0.551 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77 | -46.5 | 176.6 | -177.6 | 169.4 | -22.5 | 0 | 0 | 111 | A663 L664 Q669 Q670 Q671 | A663-Q667 PolarHBondContact O-N 3.5Å; L664-Q667 WeakPolarHBondContact O-CB 3.21Å; L664-Q667 PolarHBondContact O-N 3.32Å; Q667-Q669 PolarHBondContact O-N 2.86Å; Q667-Q670 PolarHBondContact O-N 3.44Å; Q667-Q670 VanDerWaalsContact O-N 3.1Å; Q667-Q671 PolarHBondContact O-N 2.68Å; Q667-Q671 VanDerWaalsContact O-N 3.11Å |
| 668 | L | 45.2 | Very low | 44.1 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 58% | 0.576 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -56.6 | -47 | 174.6 | -76.5 | 164.4 | 0 | 0 | 0 | 111.9 | L664 Q670 Q671 E672 | L664-L668 PolarHBondContact O-N 3.18Å; L668-Q670 PolarHBondContact O-N 3.4Å; L668-Q671 PolarHBondContact O-N 3.03Å; L668-Q671 VanDerWaalsContact O-N 3.07Å; L668-E672 PolarHBondContact O-N 3.4Å |
| 669 | Q | 39.9 | Very low | 43.2 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.8 | -14.7 | 179.9 | -166.6 | 152.4 | 68.3 | 0 | 0 | 113.9 | Q665 Q667 | Q665-Q669 PolarHBondContact O-N 3.13Å; Q667-Q669 PolarHBondContact O-N 2.86Å |
| 670 | Q | 42.3 | Very low | 42 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -90.9 | -22.7 | 170.3 | -79.6 | 175.6 | 79 | 0 | 0 | 113.6 | K666 Q667 L668 V674 | K666-Q670 WeakPolarHBondContact O-CG 3.38Å; K666-Q670 PolarHBondContact O-NE2 2.78Å; Q667-Q670 PolarHBondContact O-N 3.44Å; Q667-Q670 VanDerWaalsContact O-N 3.1Å; L668-Q670 PolarHBondContact O-N 3.4Å; Q670-V674 WeakPolarHBondContact O-CG2 3.5Å |
| 671 | Q | 39.5 | Very low | 40.9 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 57% | 0.565 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74 | -42.4 | 173.4 | -76.1 | 179.1 | -50.3 | 0 | 0 | 111.9 | Q667 L668 S673 V674 | Q667-Q671 PolarHBondContact O-N 2.68Å; Q667-Q671 VanDerWaalsContact O-N 3.11Å; L668-Q671 PolarHBondContact O-N 3.03Å; L668-Q671 VanDerWaalsContact O-N 3.07Å; Q671-S673 PolarHBondContact O-N 2.87Å; Q671-S673 VanDerWaalsContact O-N 3.15Å; Q671-V674 PolarHBondContact O-N 3.13Å |
| 672 | E | 39.8 | Very low | 39.5 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -61 | -27.5 | -177.4 | -167 | 173.3 | -153 | 0 | 0 | 113.2 | L668 V674 | L668-E672 PolarHBondContact O-N 3.4Å; E672-V674 VanDerWaalsContact C-N 3.29Å; E672-V674 PolarHBondContact O-N 2.78Å |
| 673 | S | 33.8 | Very low | 38.5 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -79.7 | -0.4 | 178 | -63.5 | 0 | 0 | 0 | 0 | 114.9 | Q671 | Q671-S673 PolarHBondContact O-N 2.87Å; Q671-S673 VanDerWaalsContact O-N 3.15Å |
| 674 | V | 37.8 | Very low | 37.2 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 52% | 0.521 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -124 | 7.4 | -171.4 | -169.3 | 0 | 0 | 0 | 0 | 112.5 | K219 Q670 Q671 E672 | K219-V674 VanDerWaalsContact NZ-CG1 3.29Å; Q670-V674 WeakPolarHBondContact O-CG2 3.5Å; Q671-V674 PolarHBondContact O-N 3.13Å; E672-V674 VanDerWaalsContact C-N 3.29Å; E672-V674 PolarHBondContact O-N 2.78Å |
| 675 | E | 32.3 | Very low | 35.8 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -104.6 | 24.4 | 178.3 | -148 | 177.7 | -145.2 | 0 | 0 | 113.1 | ||
| 676 | S | 35.2 | Very low | 34.6 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | -121.4 | 139 | 167.9 | -71 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 677 | E | 28.1 | Very low | 33.5 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 89% | 0.893 | 73% | 0.732 | S | S | * | * | trans | 69.8 | 127.2 | -157.5 | -50.5 | -178.5 | -176.3 | 0 | 0 | 111.9 | ||||
| 678 | L | 28 | Very low | 32.6 | Very low | 180 Ų | 180 | 124.9 Ų | 124.9 | 94% | 0.942 | 75% | 0.746 | S | S | * | * | cis | -139.5 | 166.3 | 17.3 | -172.6 | 60.1 | 0 | 0 | 0 | 111.6 | ||||
| 679 | A | 31.3 | Very low | 32.3 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -105 | 166.9 | -162 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 680 | T | 30.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 151.1 | -178.2 | -34.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 681 | P | 29.3 | Very low | 32.6 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -92 | 144.3 | 160.1 | 35 | -31.5 | 0 | 0 | 0 | 112.8 | ||
| 682 | H | 28.4 | Very low | 32 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 145.3 | -174.3 | -75.1 | -97.2 | 0 | 0 | 0 | 114.6 | ||
| 683 | P | 27.8 | Very low | 32.7 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 158.1 | 140.1 | 36.1 | -31.5 | 0 | 0 | 0 | 110.2 | ||
| 684 | G | 27.2 | Very low | 32.5 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -135.6 | 143.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 685 | S | 26.9 | Very low | 32 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 65 | 127.3 | 153 | -170.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 686 | S | 27.2 | Very low | 31.9 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | cis | -171.1 | 166.6 | -3 | 54 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 687 | G | 25.6 | Very low | 31.6 | Very low | 70 Ų | 70 | 125.5 Ų | 125.5 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | cis | 155 | -150.5 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 688 | A | 28.7 | Very low | 31.7 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 70.1 | 155.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 689 | P | 38.4 | Very low | 31.7 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -133 | -160.4 | -156.6 | 39.2 | -16.7 | 0 | 0 | 0 | 113.8 | ||||
| 690 | P | 60.7 | Low | 31.9 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | -132.7 | -179.3 | -68.6 | 40.4 | -25 | 0 | 0 | 0 | 113.4 | |||||
| 691 | L | 27.8 | Very low | 31.7 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | 171.2 | 171 | 129.6 | -91.7 | 165.2 | 0 | 0 | 0 | 113.3 | |||||
| 692 | A | 26.9 | Very low | 31.9 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -153.4 | -160 | -176.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 693 | P | 54.8 | Low | 31.9 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | cis | -136.4 | -158.5 | -13.3 | 36.9 | -14.3 | 0 | 0 | 0 | 113.3 | ||||
| 694 | H | 29 | Very low | 32 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 117 | 152.8 | 155.3 | -71.8 | -19.9 | 0 | 0 | 0 | 118.7 | ||||
| 695 | Q | 28.8 | Very low | 32.2 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -177.5 | 170 | -22.9 | -167.4 | -169.3 | 129.3 | 0 | 0 | 110.2 | ||||
| 696 | V | 30.4 | Very low | 32.3 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 65% | 0.648 | 76% | 0.758 | S | S | * | * | trans | 89.6 | 114.4 | 154.6 | -165.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 697 | N | 28.6 | Very low | 32.4 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | 16.4 | 161.9 | 122.9 | -61.5 | -35 | 0 | 0 | 0 | 121.7 | |||||
| 698 | R | 29.9 | Very low | 32.9 | Very low | 228 Ų | 228 | 140 Ų | 140 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | cis | 178.1 | 145.7 | -13.2 | 167.6 | 178.4 | -174.3 | -172.7 | 4.1 | 111.6 | ||||
| 699 | A | 28.6 | Very low | 33.1 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 72.9 | 154.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 700 | R | 33.9 | Very low | 32.8 | Very low | 223 Ų | 223 | 142.7 Ų | 142.7 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | -107.1 | 168.1 | 170.7 | -70.1 | 176.5 | 169.8 | 171.8 | -6.7 | 110.9 | ||||
| 701 | N | 28 | Very low | 31.3 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -158.1 | 154.2 | 157.7 | -103.2 | 7.4 | 0 | 0 | 0 | 106.9 | ||||
| 702 | L | 32.3 | Very low | 31.3 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | cis | -169.8 | 152.1 | -26.3 | -112.4 | 179.2 | 0 | 0 | 0 | 107.1 | ||||
| 703 | N | 28.5 | Very low | 31.5 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | trans | 67.6 | 139.6 | 166.5 | -60.7 | 22.2 | 0 | 0 | 0 | 116.8 | ||||
| 704 | D | 30.7 | Very low | 30.3 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | cis | 83.8 | 125 | 39.3 | -73.6 | -46.9 | 0 | 0 | 0 | 115.3 | ||||
| 705 | I | 30.2 | Very low | 31 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | 164.9 | 115.5 | 135.6 | -88.6 | 159.3 | 0 | 0 | 0 | 114 | ||||
| 706 | F | 28.6 | Very low | 31 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | 63.3 | 136.6 | 150 | -72.3 | -109.8 | 0 | 0 | 0 | 120.1 | ||||
| 707 | D | 30.7 | Very low | 31 | Very low | 136 Ų | 136 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | 76.5 | 138.5 | 53.4 | -83.9 | 8.7 | 0 | 0 | 0 | 113.5 | |||||
| 708 | D | 34.7 | Very low | 30.8 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | cis | -162.8 | 174.5 | -6.2 | -159.5 | 5.4 | 0 | 0 | 0 | 111.7 | ||||
| 709 | E | 33.3 | Very low | 30.8 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | 22 | 140.3 | 165.9 | -67.9 | -159.7 | 155.1 | 0 | 0 | 124.2 | ||||
| 710 | A | 33.1 | Very low | 30.9 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | -174.2 | 145.7 | 117.9 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 711 | D | 28.8 | Very low | 31.5 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | trans | -127.9 | -176.1 | -172.5 | -145 | -27 | 0 | 0 | 0 | 112.7 | ||||
| 712 | D | 28.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 84.5 | 174.2 | 160.6 | -134.5 | -25.4 | 0 | 0 | 0 | 119.4 | ||||
| 713 | S | 30.2 | Very low | 31.4 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | -125.8 | -173.8 | -126.2 | 61.1 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 714 | S | 29.1 | Very low | 31.4 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 178.2 | -170.7 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 715 | P | 44.6 | Very low | 31.4 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | cis | -146.4 | 177.9 | 16.2 | 41.1 | -19 | 0 | 0 | 0 | 119.4 | ||||
| 716 | T | 28.4 | Very low | 31.5 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | 63.5 | 122.3 | 148.3 | 43.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 717 | A | 29.8 | Very low | 31.5 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | 80.3 | 116.9 | 127 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 718 | D | 25.5 | Very low | 31.3 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | 10.3 | 132.8 | 149 | -64.1 | -79.8 | 0 | 0 | 0 | 122.4 | ||||
| 719 | I | 30.2 | Very low | 31.6 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | -161.8 | 151.2 | 99.9 | -97.1 | 157.7 | 0 | 0 | 0 | 111.6 | |||||
| 720 | K | 29.1 | Very low | 31.3 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -113.5 | 175.4 | -174.6 | -96.8 | 172.2 | -175.6 | 161.1 | 0 | 110.2 | ||||
| 721 | P | 46.5 | Very low | 31 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -141.8 | -165.2 | -23.8 | 35 | -13.1 | 0 | 0 | 0 | 113.9 | ||||
| 722 | S | 28.1 | Very low | 30.9 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | 74.1 | 109.7 | 131.3 | -179.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 723 | L | 30.4 | Very low | 30.9 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | -162.2 | 178.7 | 95 | -116.1 | 170.9 | 0 | 0 | 0 | 112.6 | |||||
| 724 | Q | 29.1 | Very low | 30.9 | Very low | 181 Ų | 181 | 133.5 Ų | 133.5 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -112.9 | 152.1 | -165.3 | -57 | 164.5 | -14.4 | 0 | 0 | 113 | ||||
| 725 | A | 30.5 | Very low | 30.9 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -160 | 128.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 726 | L | 31.5 | Very low | 30.4 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 38 | 102.1 | 148.5 | -80.6 | 62.5 | 0 | 0 | 0 | 122.4 | ||||
| 727 | Q | 28.5 | Very low | 30.6 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | 49.2 | 119.5 | 108.2 | -68.7 | 174.6 | -30.9 | 0 | 0 | 122.4 | |||||
| 728 | K | 28.1 | Very low | 30.8 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -47.7 | 162 | 150.3 | -65.6 | 174.7 | 165.1 | 179.6 | 0 | 113.7 | ||||
| 729 | P | 41 | Very low | 30.9 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | -150 | -177.3 | 91.2 | 41.1 | -23.7 | 0 | 0 | 0 | 117.3 | |||||
| 730 | T | 26.2 | Very low | 30.8 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 68.1 | 92.4 | 157 | 45.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 731 | D | 26.6 | Very low | 32.4 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | 56.2 | 147.2 | 105.7 | -62.7 | -51.7 | 0 | 0 | 0 | 125.7 | |||||
| 732 | T | 27.5 | Very low | 33 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 81.7 | 127.7 | 149.8 | 42.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 733 | S | 27.5 | Very low | 34.1 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 85.3 | 105.8 | 137.2 | -164.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 734 | S | 29.9 | Very low | 34.4 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | 55.5 | 123.3 | 121.4 | -33.5 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 735 | Q | 30.5 | Very low | 34.5 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | 64.3 | 97.7 | 131.6 | -74 | -173.3 | -18.1 | 0 | 0 | 123.4 | ||||
| 736 | S | 33.3 | Very low | 34.5 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | 57.3 | 156.4 | 114.1 | 63.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 737 | T | 33.5 | Very low | 35.4 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | 82.7 | 150.3 | 168.6 | 76.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 738 | S | 32.8 | Very low | 35.5 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | cis | -165.1 | 167.2 | -13.7 | 49.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 739 | S | 28 | Very low | 35.6 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | 175.5 | 174.3 | 146.9 | 35.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 740 | E | 29.3 | Very low | 35.1 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -134.8 | -162.7 | -154.9 | -135 | -156.7 | 127 | 0 | 0 | 114.9 | ||||
| 741 | P | 61.1 | Low | 35.4 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | trans | -122.9 | -149.7 | -133.3 | 45.2 | -24.4 | 0 | 0 | 0 | 114 | ||||
| 742 | P | 58.8 | Low | 36.3 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -126.1 | -120.3 | -12.9 | 31.3 | -4.8 | 0 | 0 | 0 | 111.7 | ||||
| 743 | P | 52.2 | Low | 36.5 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | cis | -139.4 | 147.9 | -36 | 32.7 | -10.5 | 0 | 0 | 0 | 119.8 | ||||
| 744 | K | 36 | Very low | 36.5 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 74.1 | 136.4 | 137 | -73.1 | 176.7 | 176.9 | 172.7 | 0 | 126.3 | ||||
| 745 | K | 32.7 | Very low | 36.8 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | trans | 103.5 | 148.1 | 143.2 | -85 | -173.1 | 173.1 | -168.4 | 0 | 122.7 | ||||
| 746 | E | 28.8 | Very low | 37 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -109.2 | -164.3 | -179 | -43.7 | 164.7 | 112 | 0 | 0 | 110.4 | ||||
| 747 | P | 51.1 | Low | 37.1 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -143 | -167.3 | -5.7 | 41.6 | -19.9 | 0 | 0 | 0 | 117 | ||||
| 748 | A | 30.9 | Very low | 37.4 | Very low | 81 Ų | 81 | 147.9 Ų | 147.9 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | 89.5 | 131.8 | 138.5 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 749 | D | 29.3 | Very low | 37.6 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | trans | 76.3 | 155.1 | 132.8 | -81.2 | -49.8 | 0 | 0 | 0 | 128 | ||||
| 750 | E | 30.9 | Very low | 38.1 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | 79.1 | 145.5 | 159.6 | -80.6 | -174.2 | 162.3 | 0 | 0 | 124.6 | ||||
| 751 | Q | 33.2 | Very low | 38.6 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | trans | -124.3 | 155.7 | 174.3 | -161.3 | -165.2 | 21 | 0 | 0 | 107.5 | ||||
| 752 | P | 44.7 | Very low | 37.7 | Very low | 124 Ų | 124 | 154.3 Ų | 154.3 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | -149.3 | -175 | 112.7 | 37.8 | -20.8 | 0 | 0 | 0 | 115.3 | |||||
| 753 | E | 31.8 | Very low | 36.7 | Very low | 130 Ų | 130 | 156.4 Ų | 156.4 | 61% | 0.607 | 77% | 0.771 | S | S | * | * | trans | -87.1 | -177.6 | 179.3 | -46.2 | 176.6 | 122.2 | 0 | 0 | 114.1 | ||||
| 754 | R | 28.6 | Very low | 36 | Very low | 199 Ų | 199 | 157.2 Ų | 157.2 | 75% | 0.751 | 78% | 0.776 | S | S | * | * | trans | 75.4 | 156.8 | 157.8 | -62.5 | 158.3 | -152.1 | -159.7 | 7.2 | 115.8 | ||||
| 755 | E | 36 | Very low | 36.7 | Very low | 148 Ų | 148 | 157.6 Ų | 157.6 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | cis | -137.1 | 127.3 | 3.9 | -126.9 | 132.9 | -127.1 | 0 | 0 | 109.3 | ||||
| 756 | K | 34.7 | Very low | 37.2 | Very low | 157 Ų | 157 | 155.8 Ų | 155.8 | 68% | 0.683 | 77% | 0.774 | S | S | * | * | 57.5 | 118.4 | 104 | -78 | 170.9 | 153.3 | -87.3 | 0 | 117.9 | |||||
| 757 | E | 35.2 | Very low | 38.1 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 62% | 0.621 | 78% | 0.776 | S | S | * | * | trans | 64.5 | 115.4 | 135 | -59.8 | 163.9 | -145.2 | 0 | 0 | 119.9 | ||||
| 758 | K | 38.6 | Very low | 38.1 | Very low | 182 Ų | 182 | 159.5 Ų | 159.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | -170.3 | 141.2 | 96.1 | -92.8 | 139.3 | -162.3 | 160.4 | 0 | 112.7 | |||||
| 759 | L | 37.5 | Very low | 38.9 | Very low | 152 Ų | 152 | 159.2 Ų | 159.2 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 35.2 | 124.2 | 148.2 | -60.7 | 152.9 | 0 | 0 | 0 | 117.5 | ||||
| 760 | I | 38.3 | Very low | 39.8 | Very low | 160 Ų | 160 | 156 Ų | 156 | 82% | 0.821 | 76% | 0.76 | S | S | * | * | -155.4 | 171.3 | 78.5 | -92.6 | 166.3 | 0 | 0 | 0 | 112.8 | |||||
| 761 | L | 39.5 | Very low | 40.8 | Very low | 138 Ų | 138 | 152.3 Ų | 152.3 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | trans | -59.6 | 129.6 | -163.7 | -73 | 72 | 0 | 0 | 0 | 118.2 | ||||
| 762 | K | 42.2 | Very low | 41.6 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 87% | 0.865 | 74% | 0.741 | S | S | * | * | 55.3 | 89.5 | 112.3 | -151.4 | 175.8 | -171.5 | 178.2 | 0 | 118.7 | |||||
| 763 | I | 39 | Very low | 42.1 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | trans | -125 | 146.3 | 157.3 | -63 | -179.9 | 0 | 0 | 0 | 108.7 | ||||
| 764 | P | 38.2 | Very low | 43.4 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | -70.5 | 157.2 | -170.9 | -21.5 | 35.1 | 0 | 0 | 0 | 116.3 | M766 | P764-M766 PolarHBondContact O-N 2.74Š| ||
| 765 | K | 50.4 | Low | 45.3 | Very low | 209 Ų | 209 | 148.1 Ų | 148.1 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -81.6 | 96.2 | 174.1 | -69.5 | -179.8 | 176.9 | -179.7 | 0 | 111.8 | ||||
| 766 | M | 41.8 | Very low | 46.9 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 82% | 0.823 | 71% | 0.708 | S | S | * | * | trans | -142.6 | 106.5 | 164.8 | -74.3 | -69.4 | -80.3 | 0 | 0 | 108.7 | P764 | P764-M766 PolarHBondContact O-N 2.74Š| ||
| 767 | L | 49 | Very low | 48.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 89% | 0.89 | 70% | 0.699 | S | S | * | * | trans | 135.1 | 60.7 | 170.6 | -77.7 | 160.9 | 0 | 0 | 0 | 114.7 | ||||
| 768 | K | 51.6 | Low | 50.3 | Low | 203 Ų | 203 | 145 Ų | 145 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | trans | -151.6 | 86.2 | 152.5 | -73.1 | -159.4 | 179.3 | -172.4 | 0 | 112.6 | ||||
| 769 | P | 46.3 | Very low | 52.1 | Low | 76 Ų | 76 | 140 Ų | 140 | 49% | 0.494 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -109 | -56.8 | 155.1 | -1.8 | 21.6 | 0 | 0 | 0 | 112.3 | V771 D772 | P769-V771 PolarHBondContact O-N 3.02Å; P769-D772 PolarHBondContact O-N 2.88Å; P769-D772 VanDerWaalsContact O-N 3.08Å |
| 770 | V | 49.1 | Very low | 54 | Low | 93 Ų | 93 | 137.5 Ų | 137.5 | 56% | 0.564 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -52 | -12.4 | -160 | -168.6 | 0 | 0 | 0 | 0 | 117.6 | ||
| 771 | V | 50.9 | Low | 55.8 | Low | 119 Ų | 119 | 138.2 Ų | 138.2 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -95.5 | -31.9 | -177.9 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | P769 | P769-V771 PolarHBondContact O-N 3.02Å |
| 772 | D | 51 | Low | 57.5 | Low | 104 Ų | 104 | 135.4 Ų | 135.4 | 56% | 0.556 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -83.6 | -34.6 | 180 | -75 | -59 | 0 | 0 | 0 | 111.6 | P769 R774 R775 E776 | P769-D772 PolarHBondContact O-N 2.88Å; P769-D772 VanDerWaalsContact O-N 3.08Å; D772-R774 PolarHBondContact O-N 2.88Å; D772-R775 CarbonylContact O-C 3.58Å; D772-R775 WeakPolarHBondContact O-CA 3.36Å; D772-R775 WeakPolarHBondContact O-CB 3.41Å; D772-R775 PolarHBondContact O-N 3.43Å; D772-E776 PolarHBondContact O-N 3.09Å |
| 773 | D | 55.5 | Low | 59.4 | Low | 86 Ų | 86 | 131.1 Ų | 131.1 | 46% | 0.46 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -52.9 | -53.5 | 174.6 | -50.4 | -41.4 | 0 | 0 | 0 | 110.9 | R775 E776 D777 | D773-R775 PolarHBondContact O-N 3.27Å; D773-E776 WeakPolarHBondContact O-CA 3.33Å; D773-E776 PolarHBondContact O-N 3.17Å; D773-D777 VanDerWaalsContact O-CG 3.26Å; D773-D777 PolarHBondContact O-N 2.94Å |
| 774 | R | 58.9 | Low | 61.4 | Low | 173 Ų | 173 | 126.7 Ų | 126.7 | 65% | 0.653 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.5 | -13.6 | 175.9 | -70.1 | -178.7 | 171.2 | -166.9 | -3.2 | 114.8 | D772 D777 R778 | D772-R774 PolarHBondContact O-N 2.88Å; R774-D777 WeakPolarHBondContact CA-OD2 3.33Å; R774-R778 WeakPolarHBondContact O-CG 3.41Å |
| 775 | R | 68.5 | Low | 63.3 | Low | 166 Ų | 166 | 127.6 Ų | 127.6 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -99.5 | -23.9 | 175.6 | -165.8 | -178.5 | -178.5 | -162.2 | 2.5 | 111.9 | D772 D773 K779 | D772-R775 CarbonylContact O-C 3.58Å; D772-R775 WeakPolarHBondContact O-CA 3.36Å; D772-R775 WeakPolarHBondContact O-CB 3.41Å; D772-R775 PolarHBondContact O-N 3.43Å; D773-R775 PolarHBondContact O-N 3.27Å; R775-K779 VanDerWaalsContact O-CE 3.3Å; R775-K779 WeakPolarHBondContact O-CE 3.1Å; R775-K779 VanDerWaalsContact O-CG 3.31Å; R775-K779 WeakPolarHBondContact O-CG 3.39Å |
| 776 | E | 69.2 | Low | 64.7 | Low | 88 Ų | 88 | 121.6 Ų | 121.6 | 41% | 0.411 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.4 | -46.8 | 167.4 | -142.5 | 58.5 | -120.3 | 0 | 0 | 109.9 | D772 D773 R778 K779 E780 R783 | D772-E776 PolarHBondContact O-N 3.09Å; D773-E776 WeakPolarHBondContact O-CA 3.33Å; D773-E776 PolarHBondContact O-N 3.17Å; E776-R778 VanDerWaalsContact C-N 3.27Å; E776-R778 PolarHBondContact O-N 2.92Å; E776-R778 VanDerWaalsContact O-N 3.17Å; E776-K779 VanDerWaalsContact CD-NZ 3.35Å; E776-K779 CarbonylContact O-C 3.6Å; E776-K779 WeakPolarHBondContact O-CB 3.2Å; E776-K779 PolarHBondContact O-N 2.87Å; E776-K779 WeakPolarHBondContact OE1-CD 3.38Å; E776-K779 IonicContact OE1-NZ 3.67Å; E776-K779 PolarHBondContact OE1-NZ 2.72Å; E776-K779 IonicContact OE2-NZ 2.69Å; E776-K779 PolarHBondContact OE2-NZ 2.67Å; E776-E780 PolarHBondContact O-N 2.8Å; E776-R783 IonicContact OE1-NH1 2.66Å; E776-R783 IonicContact OE1-NH2 3.64Å |
| 777 | D | 68.1 | Low | 66.5 | Low | 94 Ų | 94 | 119.5 Ų | 119.5 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -47.8 | -46.2 | 175.7 | -63.7 | -24.3 | 0 | 0 | 0 | 112.7 | D773 R774 E780 R781 | D773-D777 VanDerWaalsContact O-CG 3.26Å; D773-D777 PolarHBondContact O-N 2.94Å; R774-D777 WeakPolarHBondContact CA-OD2 3.33Å; D777-E780 PolarHBondContact O-N 3.43Å; D777-R781 WeakPolarHBondContact O-CB 3.46Å; D777-R781 PolarHBondContact O-N 2.89Å |
| 778 | R | 72.3 | Confident | 67.9 | Low | 191 Ų | 191 | 115 Ų | 115 | 72% | 0.721 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 179.9 | -73.5 | 179.5 | 178.3 | -162.2 | -2 | 112 | R774 E776 E780 D782 | R774-R778 WeakPolarHBondContact O-CG 3.41Å; E776-R778 VanDerWaalsContact C-N 3.27Å; E776-R778 PolarHBondContact O-N 2.92Å; E776-R778 VanDerWaalsContact O-N 3.17Å; R778-E780 VanDerWaalsContact C-N 3.32Å; R778-D782 WeakPolarHBondContact O-CB 3.36Å; R778-D782 VanDerWaalsContact O-CG 3.31Å; R778-D782 PolarHBondContact O-N 3.17Å |
| 779 | K | 77.9 | Confident | 69.2 | Low | 78 Ų | 78 | 113 Ų | 113 | 34% | 0.339 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.5 | -31.4 | 176 | -60.5 | 167.2 | -155.2 | 155.2 | 0 | 111.7 | R775 E776 R783 | R775-K779 VanDerWaalsContact O-CE 3.3Å; R775-K779 WeakPolarHBondContact O-CE 3.1Å; R775-K779 VanDerWaalsContact O-CG 3.31Å; R775-K779 WeakPolarHBondContact O-CG 3.39Å; E776-K779 VanDerWaalsContact CD-NZ 3.35Å; E776-K779 CarbonylContact O-C 3.6Å; E776-K779 WeakPolarHBondContact O-CB 3.2Å; E776-K779 PolarHBondContact O-N 2.87Å; E776-K779 WeakPolarHBondContact OE1-CD 3.38Å; E776-K779 IonicContact OE1-NZ 3.67Å; E776-K779 PolarHBondContact OE1-NZ 2.72Å; E776-K779 IonicContact OE2-NZ 2.69Å; E776-K779 PolarHBondContact OE2-NZ 2.67Å; K779-R783 VanDerWaalsContact O-CD 3.31Å; K779-R783 WeakPolarHBondContact O-CD 3.32Å; K779-R783 WeakPolarHBondContact O-CG 3.27Å; K779-R783 PolarHBondContact O-N 3.14Å |
| 780 | E | 75.4 | Confident | 70.9 | Confident | 99 Ų | 99 | 114.6 Ų | 114.6 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.7 | -52.9 | 174.6 | -172.8 | 135.8 | -111.3 | 0 | 0 | 110.4 | E776 D777 R778 D782 R783 D784 | E776-E780 PolarHBondContact O-N 2.8Å; D777-E780 PolarHBondContact O-N 3.43Å; R778-E780 VanDerWaalsContact C-N 3.32Å; E780-D782 PolarHBondContact O-N 2.84Å; E780-D782 VanDerWaalsContact O-N 3.17Å; E780-R783 WeakPolarHBondContact O-CA 3.31Å; E780-R783 WeakPolarHBondContact O-CB 3.47Å; E780-R783 PolarHBondContact O-N 3.24Å; E780-D784 PolarHBondContact O-N 3.16Å |
| 781 | R | 76.2 | Confident | 72.2 | Confident | 174 Ų | 174 | 118 Ų | 118 | 66% | 0.657 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.5 | -33.5 | 175.2 | -173.4 | 175.6 | -77.2 | -157 | -4.7 | 113.1 | D777 R785 | D777-R781 WeakPolarHBondContact O-CB 3.46Å; D777-R781 PolarHBondContact O-N 2.89Å; R781-R785 WeakPolarHBondContact O-CD 3.46Å; R781-R785 VanDerWaalsContact O-CG 3.31Å; R781-R785 WeakPolarHBondContact O-CG 3.3Å; R781-R785 PolarHBondContact O-N 2.89Å |
| 782 | D | 76.9 | Confident | 73.6 | Confident | 80 Ų | 80 | 117.1 Ų | 117.1 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.4 | -38 | 173.7 | -71.6 | -24.2 | 0 | 0 | 0 | 113.1 | R778 E780 D784 R785 D786 | R778-D782 WeakPolarHBondContact O-CB 3.36Å; R778-D782 VanDerWaalsContact O-CG 3.31Å; R778-D782 PolarHBondContact O-N 3.17Å; E780-D782 PolarHBondContact O-N 2.84Å; E780-D782 VanDerWaalsContact O-N 3.17Å; D782-D784 VanDerWaalsContact C-N 3.31Å; D782-D784 PolarHBondContact O-N 3.02Å; D782-R785 PolarHBondContact O-N 3.43Å; D782-R785 IonicContact OD1-CZ 2.61Å; D782-R785 IonicContact OD1-NH1 2.72Å; D782-R785 PolarHBondContact OD1-NH1 3.38Å; D782-D786 PolarHBondContact O-N 3.16Å |
| 783 | R | 81.6 | Confident | 75 | Confident | 109 Ų | 109 | 117.2 Ų | 117.2 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 172.2 | -69.1 | 159.9 | -166.8 | 139.4 | -3.4 | 112.1 | E776 K779 E780 D786 R787 | E776-R783 IonicContact OE1-NH1 2.66Å; E776-R783 IonicContact OE1-NH2 3.64Å; K779-R783 VanDerWaalsContact O-CD 3.31Å; K779-R783 WeakPolarHBondContact O-CD 3.32Å; K779-R783 WeakPolarHBondContact O-CG 3.27Å; K779-R783 PolarHBondContact O-N 3.14Å; E780-R783 WeakPolarHBondContact O-CA 3.31Å; E780-R783 WeakPolarHBondContact O-CB 3.47Å; E780-R783 PolarHBondContact O-N 3.24Å; R783-D786 PolarHBondContact O-N 2.67Å; R783-R787 VanDerWaalsContact O-CG 3.27Å; R783-R787 WeakPolarHBondContact O-CG 3.44Å; R783-R787 PolarHBondContact O-N 2.85Å |
| 784 | D | 79.9 | Confident | 76.3 | Confident | 64 Ų | 64 | 117.5 Ų | 117.5 | 34% | 0.342 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 177.6 | -71.6 | -35.6 | 0 | 0 | 0 | 112.3 | E780 D782 D786 R787 D788 | E780-D784 PolarHBondContact O-N 3.16Å; D782-D784 VanDerWaalsContact C-N 3.31Å; D782-D784 PolarHBondContact O-N 3.02Å; D784-D786 VanDerWaalsContact C-N 3.29Å; D784-D786 PolarHBondContact O-N 3.11Å; D784-R787 WeakPolarHBondContact O-CB 3.4Å; D784-R787 PolarHBondContact O-N 3.14Å; D784-R787 WeakPolarHBondContact OD1-CD 3.43Å; D784-R787 IonicContact OD1-CZ 3.87Å; D784-R787 IonicContact OD1-NE 3.42Å; D784-R787 IonicContact OD1-NH1 2.59Å; D784-R787 PolarHBondContact OD1-NH1 3.29Å; D784-D788 PolarHBondContact O-N 3.11Å |
| 785 | R | 79.1 | Confident | 77.2 | Confident | 136 Ų | 136 | 116.6 Ų | 116.6 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.3 | -40 | 171.9 | -72.5 | 161.3 | 169 | 166.1 | -8.4 | 112.8 | R781 D782 R789 | R781-R785 WeakPolarHBondContact O-CD 3.46Å; R781-R785 VanDerWaalsContact O-CG 3.31Å; R781-R785 WeakPolarHBondContact O-CG 3.3Å; R781-R785 PolarHBondContact O-N 2.89Å; D782-R785 PolarHBondContact O-N 3.43Å; D782-R785 IonicContact OD1-CZ 2.61Å; D782-R785 IonicContact OD1-NH1 2.72Å; D782-R785 PolarHBondContact OD1-NH1 3.38Å; R785-R789 WeakPolarHBondContact O-CG 3.09Å; R785-R789 PolarHBondContact O-N 2.76Å; R785-R789 VanDerWaalsContact O-N 3.12Å |
| 786 | D | 79.4 | Confident | 77.8 | Confident | 84 Ų | 84 | 115.2 Ų | 115.2 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.1 | -37.6 | 177.3 | -71.3 | -22 | 0 | 0 | 0 | 111.9 | D782 R783 D784 D788 R789 D790 | D782-D786 PolarHBondContact O-N 3.16Å; R783-D786 PolarHBondContact O-N 2.67Å; D784-D786 VanDerWaalsContact C-N 3.29Å; D784-D786 PolarHBondContact O-N 3.11Å; D786-D788 VanDerWaalsContact C-N 3.32Å; D786-D788 PolarHBondContact O-N 2.93Å; D786-R789 PolarHBondContact O-N 3.31Å; D786-R789 IonicContact OD1-CZ 3.94Å; D786-R789 IonicContact OD1-NH1 2.81Å; D786-R789 PolarHBondContact OD1-NH1 3.43Å; D786-D790 PolarHBondContact O-N 3.35Å |
| 787 | R | 79.9 | Confident | 78.5 | Confident | 122 Ų | 122 | 114.9 Ų | 114.9 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 171.3 | -71.5 | 162.3 | 176 | 162.5 | -2.9 | 112.7 | R783 D784 R791 | R783-R787 VanDerWaalsContact O-CG 3.27Å; R783-R787 WeakPolarHBondContact O-CG 3.44Å; R783-R787 PolarHBondContact O-N 2.85Å; D784-R787 WeakPolarHBondContact O-CB 3.4Å; D784-R787 PolarHBondContact O-N 3.14Å; D784-R787 WeakPolarHBondContact OD1-CD 3.43Å; D784-R787 IonicContact OD1-CZ 3.87Å; D784-R787 IonicContact OD1-NE 3.42Å; D784-R787 IonicContact OD1-NH1 2.59Å; D784-R787 PolarHBondContact OD1-NH1 3.29Å; R787-R791 WeakPolarHBondContact O-CG 3.41Å; R787-R791 PolarHBondContact O-N 2.9Å; R787-R791 VanDerWaalsContact O-N 3.13Å |
| 788 | D | 78.1 | Confident | 79.1 | Confident | 77 Ų | 77 | 114.4 Ų | 114.4 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.6 | -34.5 | 178.5 | -77.4 | -24.8 | 0 | 0 | 0 | 112.4 | D784 D786 R791 D792 | D784-D788 PolarHBondContact O-N 3.11Å; D786-D788 VanDerWaalsContact C-N 3.32Å; D786-D788 PolarHBondContact O-N 2.93Å; D788-R791 WeakPolarHBondContact O-CB 3.15Å; D788-R791 PolarHBondContact O-N 3.39Å; D788-R791 WeakPolarHBondContact OD1-CD 3.36Å; D788-R791 IonicContact OD1-CZ 3.4Å; D788-R791 IonicContact OD1-NE 3.32Å; D788-R791 IonicContact OD1-NH1 2.92Å; D788-R791 PolarHBondContact OD1-NH1 3.42Å; D788-D792 PolarHBondContact O-N 2.81Å |
| 789 | R | 80 | Confident | 79.6 | Confident | 161 Ų | 161 | 112.7 Ų | 112.7 | 61% | 0.608 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.1 | -46.7 | 168.3 | -75 | 173.7 | 176.2 | 142.8 | -2.5 | 112.4 | R785 D786 R791 D792 E793 | R785-R789 WeakPolarHBondContact O-CG 3.09Å; R785-R789 PolarHBondContact O-N 2.76Å; R785-R789 VanDerWaalsContact O-N 3.12Å; D786-R789 PolarHBondContact O-N 3.31Å; D786-R789 IonicContact OD1-CZ 3.94Å; D786-R789 IonicContact OD1-NH1 2.81Å; D786-R789 PolarHBondContact OD1-NH1 3.43Å; R789-R791 VanDerWaalsContact C-N 3.26Å; R789-R791 PolarHBondContact O-N 2.78Å; R789-D792 PolarHBondContact O-N 3.04Å; R789-E793 WeakPolarHBondContact O-CB 3.27Å; R789-E793 PolarHBondContact O-N 2.97Å |
| 790 | D | 80.3 | Confident | 79.9 | Confident | 108 Ų | 108 | 114.6 Ų | 114.6 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.6 | -40.4 | 177.4 | -76.8 | -19.8 | 0 | 0 | 0 | 111.2 | D786 D794 | D786-D790 PolarHBondContact O-N 3.35Å; D790-D794 WeakPolarHBondContact O-CB 3.43Å; D790-D794 PolarHBondContact O-N 3.42Å |
| 791 | R | 77.9 | Confident | 80.4 | Confident | 166 Ų | 166 | 116.4 Ų | 116.4 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.8 | -47.4 | 175.2 | -73.9 | 166.2 | 173.3 | 162.1 | -2.4 | 112.7 | R787 D788 R789 D794 R795 | R787-R791 WeakPolarHBondContact O-CG 3.41Å; R787-R791 PolarHBondContact O-N 2.9Å; R787-R791 VanDerWaalsContact O-N 3.13Å; D788-R791 WeakPolarHBondContact O-CB 3.15Å; D788-R791 PolarHBondContact O-N 3.39Å; D788-R791 WeakPolarHBondContact OD1-CD 3.36Å; D788-R791 IonicContact OD1-CZ 3.4Å; D788-R791 IonicContact OD1-NE 3.32Å; D788-R791 IonicContact OD1-NH1 2.92Å; D788-R791 PolarHBondContact OD1-NH1 3.42Å; R789-R791 VanDerWaalsContact C-N 3.26Å; R789-R791 PolarHBondContact O-N 2.78Å; R791-D794 PolarHBondContact O-N 3.49Å; R791-R795 WeakPolarHBondContact O-CB 3.3Å; R791-R795 PolarHBondContact O-N 2.97Å |
| 792 | D | 78.9 | Confident | 80.8 | Confident | 99 Ų | 99 | 114.6 Ų | 114.6 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.2 | -38.4 | -178.1 | -82.8 | -29.2 | 0 | 0 | 0 | 111.9 | D788 R789 D794 R795 E796 | D788-D792 PolarHBondContact O-N 2.81Å; R789-D792 PolarHBondContact O-N 3.04Å; D792-D794 PolarHBondContact O-N 2.95Å; D792-R795 WeakPolarHBondContact O-CB 3.39Å; D792-R795 PolarHBondContact O-N 2.81Å; D792-E796 PolarHBondContact O-N 2.89Å |
| 793 | E | 80.3 | Confident | 81.2 | Confident | 107 Ų | 107 | 114.4 Ų | 114.4 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 169.1 | -96.4 | -151.8 | -162.5 | 0 | 0 | 111.8 | R789 R795 E796 K797 | R789-E793 WeakPolarHBondContact O-CB 3.27Å; R789-E793 PolarHBondContact O-N 2.97Å; E793-R795 VanDerWaalsContact C-N 3.33Å; E793-E796 PolarHBondContact O-N 3.27Å; E793-K797 WeakPolarHBondContact O-CE 3.43Å; E793-K797 WeakPolarHBondContact O-CG 3.42Å; E793-K797 PolarHBondContact O-N 3.22Å; E793-K797 WeakPolarHBondContact OE2-CE 3.3Å; E793-K797 IonicContact OE2-NZ 3.15Å; E793-K797 PolarHBondContact OE2-NZ 3.07Å |
| 794 | D | 82.5 | Confident | 81.5 | Confident | 92 Ų | 92 | 116.2 Ų | 116.2 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.9 | -31.2 | 179.4 | -88.1 | 12.1 | 0 | 0 | 0 | 112.3 | D790 R791 D792 K797 V798 | D790-D794 WeakPolarHBondContact O-CB 3.43Å; D790-D794 PolarHBondContact O-N 3.42Å; R791-D794 PolarHBondContact O-N 3.49Å; D792-D794 PolarHBondContact O-N 2.95Å; D794-K797 PolarHBondContact O-N 3.43Å; D794-K797 WeakPolarHBondContact OD1-CD 3.5Å; D794-K797 IonicContact OD1-NZ 2.85Å; D794-K797 PolarHBondContact OD1-NZ 2.87Å; D794-V798 WeakPolarHBondContact O-CG2 3.41Å; D794-V798 PolarHBondContact O-N 2.73Å |
| 795 | R | 79.6 | Confident | 82 | Confident | 154 Ų | 154 | 115.9 Ų | 115.9 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.1 | -38.3 | 171.8 | -159.5 | 176.1 | -167.9 | -165.4 | 2.6 | 111.9 | R791 D792 E793 V798 R799 | R791-R795 WeakPolarHBondContact O-CB 3.3Å; R791-R795 PolarHBondContact O-N 2.97Å; D792-R795 WeakPolarHBondContact O-CB 3.39Å; D792-R795 PolarHBondContact O-N 2.81Å; E793-R795 VanDerWaalsContact C-N 3.33Å; R795-V798 PolarHBondContact O-N 3.4Å; R795-R799 WeakPolarHBondContact O-CG 3.22Å; R795-R799 PolarHBondContact O-N 3.39Å; R795-R799 VanDerWaalsContact O-N 3.14Å |
| 796 | E | 80.9 | Confident | 82.3 | Confident | 136 Ų | 136 | 113.3 Ų | 113.3 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.6 | -47.8 | 171.3 | -171.9 | 169.7 | -132.6 | 0 | 0 | 111.2 | D792 E793 V798 R799 D800 | D792-E796 PolarHBondContact O-N 2.89Å; E793-E796 PolarHBondContact O-N 3.27Å; E796-V798 PolarHBondContact O-N 3.22Å; E796-V798 VanDerWaalsContact O-N 3.1Å; E796-R799 PolarHBondContact O-N 2.63Å; E796-D800 PolarHBondContact O-N 2.89Å |
| 797 | K | 83.1 | Confident | 82.6 | Confident | 81 Ų | 81 | 117.5 Ų | 117.5 | 35% | 0.352 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -19.4 | 175.1 | -66.7 | 163.4 | -145.6 | 158.1 | 0 | 113.7 | E793 D794 K801 | E793-K797 WeakPolarHBondContact O-CE 3.43Å; E793-K797 WeakPolarHBondContact O-CG 3.42Å; E793-K797 PolarHBondContact O-N 3.22Å; E793-K797 WeakPolarHBondContact OE2-CE 3.3Å; E793-K797 IonicContact OE2-NZ 3.15Å; E793-K797 PolarHBondContact OE2-NZ 3.07Å; D794-K797 PolarHBondContact O-N 3.43Å; D794-K797 WeakPolarHBondContact OD1-CD 3.5Å; D794-K797 IonicContact OD1-NZ 2.85Å; D794-K797 PolarHBondContact OD1-NZ 2.87Å; K797-K801 WeakPolarHBondContact O-CD 3.25Å; K797-K801 WeakPolarHBondContact O-CE 3.48Å; K797-K801 WeakPolarHBondContact O-CG 3.29Å; K797-K801 PolarHBondContact O-NZ 2.88Å |
| 798 | V | 81.8 | Confident | 83 | Confident | 85 Ų | 85 | 117.7 Ų | 117.7 | 52% | 0.515 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -80.6 | -50.7 | 170 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | D794 R795 E796 D800 K801 E802 | D794-V798 WeakPolarHBondContact O-CG2 3.41Å; D794-V798 PolarHBondContact O-N 2.73Å; R795-V798 PolarHBondContact O-N 3.4Å; E796-V798 PolarHBondContact O-N 3.22Å; E796-V798 VanDerWaalsContact O-N 3.1Å; V798-D800 VanDerWaalsContact C-N 3.27Å; V798-D800 PolarHBondContact O-N 3.17Å; V798-K801 WeakPolarHBondContact O-CB 3.44Å; V798-K801 PolarHBondContact O-N 3.34Å; V798-E802 PolarHBondContact O-N 2.96Å |
| 799 | R | 82.1 | Confident | 83.6 | Confident | 155 Ų | 155 | 120.2 Ų | 120.2 | 59% | 0.585 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -53.7 | -44.5 | 176.1 | -73.5 | 171.5 | 168.6 | 174 | -4.4 | 111.8 | R795 E796 K801 E802 D803 | R795-R799 WeakPolarHBondContact O-CG 3.22Å; R795-R799 PolarHBondContact O-N 3.39Å; R795-R799 VanDerWaalsContact O-N 3.14Å; E796-R799 PolarHBondContact O-N 2.63Å; R799-K801 VanDerWaalsContact C-N 3.3Å; R799-K801 PolarHBondContact O-N 3.36Å; R799-E802 PolarHBondContact O-N 2.87Å; R799-D803 WeakPolarHBondContact O-CB 3.43Å; R799-D803 PolarHBondContact O-N 3.47Å |
| 800 | D | 84 | Confident | 84.1 | Confident | 118 Ų | 118 | 116.6 Ų | 116.6 | 63% | 0.631 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.9 | -30.8 | -179.9 | -126.5 | 21.6 | 0 | 0 | 0 | 113.3 | E796 V798 K804 | E796-D800 PolarHBondContact O-N 2.89Å; V798-D800 VanDerWaalsContact C-N 3.27Å; V798-D800 PolarHBondContact O-N 3.17Å; D800-K804 WeakPolarHBondContact O-CB 3.17Å; D800-K804 PolarHBondContact O-N 2.9Å |
| 801 | K | 86.3 | Confident | 84.7 | Confident | 136 Ų | 136 | 119.1 Ų | 119.1 | 59% | 0.591 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -74 | -41.1 | 173.8 | -70.7 | 164.3 | -165.9 | 151.8 | 0 | 111.5 | K797 V798 R799 K804 A805 | K797-K801 WeakPolarHBondContact O-CD 3.25Å; K797-K801 WeakPolarHBondContact O-CE 3.48Å; K797-K801 WeakPolarHBondContact O-CG 3.29Å; K797-K801 PolarHBondContact O-NZ 2.88Å; V798-K801 WeakPolarHBondContact O-CB 3.44Å; V798-K801 PolarHBondContact O-N 3.34Å; R799-K801 VanDerWaalsContact C-N 3.3Å; R799-K801 PolarHBondContact O-N 3.36Å; K801-K804 PolarHBondContact O-N 2.88Å; K801-A805 WeakPolarHBondContact O-CB 3.44Å; K801-A805 PolarHBondContact O-N 2.85Å |
| 802 | E | 83.4 | Confident | 85.4 | Confident | 136 Ų | 136 | 118.8 Ų | 118.8 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.6 | -47.7 | 178.3 | -175 | 168.1 | -154 | 0 | 0 | 111.2 | V798 R799 K804 A805 Q806 | V798-E802 PolarHBondContact O-N 2.96Å; R799-E802 PolarHBondContact O-N 2.87Å; E802-K804 VanDerWaalsContact C-N 3.29Å; E802-K804 PolarHBondContact O-N 3.14Å; E802-A805 PolarHBondContact O-N 2.95Å; E802-A805 VanDerWaalsContact O-N 3.08Å; E802-Q806 PolarHBondContact O-N 2.77Å |
| 803 | D | 85.7 | Confident | 85.9 | Confident | 77 Ų | 77 | 119.8 Ų | 119.8 | 41% | 0.412 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.1 | -36.7 | 178.3 | -147.6 | 72.8 | 0 | 0 | 0 | 111.4 | R799 R807 | R799-D803 WeakPolarHBondContact O-CB 3.43Å; R799-D803 PolarHBondContact O-N 3.47Å; D803-R807 WeakPolarHBondContact O-CB 3.39Å; D803-R807 WeakPolarHBondContact O-CD 3.32Å; D803-R807 WeakPolarHBondContact O-CG 3.2Å; D803-R807 PolarHBondContact O-N 2.88Å; D803-R807 IonicContact OD2-CZ 3.02Å; D803-R807 IonicContact OD2-NE 2.8Å; D803-R807 PolarHBondContact OD2-NE 2.85Å; D803-R807 IonicContact OD2-NH2 2.71Å; D803-R807 PolarHBondContact OD2-NH2 2.83Å |
| 804 | K | 88.4 | Confident | 86.5 | Confident | 146 Ų | 146 | 121.5 Ų | 121.5 | 64% | 0.635 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.4 | -43.4 | 171.3 | -177 | 179.4 | 178.7 | -176.9 | 0 | 112.6 | D800 K801 E802 R807 E808 | D800-K804 WeakPolarHBondContact O-CB 3.17Å; D800-K804 PolarHBondContact O-N 2.9Å; K801-K804 PolarHBondContact O-N 2.88Å; E802-K804 VanDerWaalsContact C-N 3.29Å; E802-K804 PolarHBondContact O-N 3.14Å; K804-R807 PolarHBondContact O-N 2.85Å; K804-E808 PolarHBondContact O-N 3.44Å |
| 805 | A | 89.7 | Confident | 87 | Confident | 58 Ų | 58 | 120.3 Ų | 120.3 | 48% | 0.479 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K801 E802 E808 K809 | K801-A805 WeakPolarHBondContact O-CB 3.44Å; K801-A805 PolarHBondContact O-N 2.85Å; E802-A805 PolarHBondContact O-N 2.95Å; E802-A805 VanDerWaalsContact O-N 3.08Å; A805-E808 PolarHBondContact O-N 3.43Å; A805-K809 WeakPolarHBondContact O-CB 3.33Å; A805-K809 PolarHBondContact O-N 2.89Å |
| 806 | Q | 85.8 | Confident | 87.6 | Confident | 82 Ų | 82 | 120.9 Ų | 120.9 | 38% | 0.383 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -43.4 | 175.9 | -176.2 | 58.8 | 34.5 | 0 | 0 | 111.4 | E802 E808 K809 D810 | E802-Q806 PolarHBondContact O-N 2.77Å; Q806-E808 VanDerWaalsContact C-N 3.26Å; Q806-E808 PolarHBondContact O-N 2.79Å; Q806-K809 WeakPolarHBondContact O-CB 3.42Å; Q806-K809 PolarHBondContact O-N 3.5Å; Q806-K809 VanDerWaalsContact OE1-NZ 3.14Å; Q806-D810 PolarHBondContact NE2-OD1 2.91Å; Q806-D810 PolarHBondContact O-N 3.21Å |
| 807 | R | 86.7 | Confident | 88.1 | Confident | 171 Ų | 171 | 117.6 Ų | 117.6 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -33.3 | 173.1 | -70.1 | 167.4 | -167.2 | -164.5 | 6.4 | 112.9 | D803 K804 K811 | D803-R807 WeakPolarHBondContact O-CB 3.39Å; D803-R807 WeakPolarHBondContact O-CD 3.32Å; D803-R807 WeakPolarHBondContact O-CG 3.2Å; D803-R807 PolarHBondContact O-N 2.88Å; D803-R807 IonicContact OD2-CZ 3.02Å; D803-R807 IonicContact OD2-NE 2.8Å; D803-R807 PolarHBondContact OD2-NE 2.85Å; D803-R807 IonicContact OD2-NH2 2.71Å; D803-R807 PolarHBondContact OD2-NH2 2.83Å; K804-R807 PolarHBondContact O-N 2.85Å; R807-K811 WeakPolarHBondContact O-CB 3.31Å; R807-K811 PolarHBondContact O-N 2.88Å |
| 808 | E | 88.5 | Confident | 88.4 | Confident | 127 Ų | 127 | 121.1 Ų | 121.1 | 59% | 0.593 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.8 | -39.2 | 175.5 | -175.9 | 158.7 | -168.5 | 0 | 0 | 112.6 | K804 A805 Q806 K811 K812 | K804-E808 PolarHBondContact O-N 3.44Å; A805-E808 PolarHBondContact O-N 3.43Å; Q806-E808 VanDerWaalsContact C-N 3.26Å; Q806-E808 PolarHBondContact O-N 2.79Å; E808-K811 WeakPolarHBondContact O-CB 3.48Å; E808-K811 PolarHBondContact O-N 2.71Å; E808-K812 WeakPolarHBondContact O-CB 3.15Å; E808-K812 PolarHBondContact O-N 3.5Å |
| 809 | K | 90.4 | Very high | 88.9 | Confident | 130 Ų | 130 | 124.7 Ų | 124.7 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.3 | -49.1 | 172.6 | -179.6 | 178.4 | 163.9 | -161.6 | 0 | 111.5 | A805 Q806 K811 K812 E813 | A805-K809 WeakPolarHBondContact O-CB 3.33Å; A805-K809 PolarHBondContact O-N 2.89Å; Q806-K809 WeakPolarHBondContact O-CB 3.42Å; Q806-K809 PolarHBondContact O-N 3.5Å; Q806-K809 VanDerWaalsContact OE1-NZ 3.14Å; K809-K811 VanDerWaalsContact C-N 3.31Å; K809-K811 PolarHBondContact O-N 3.17Å; K809-K812 WeakPolarHBondContact O-CB 3.38Å; K809-K812 PolarHBondContact O-N 3.37Å; K809-K812 VanDerWaalsContact O-N 3.14Å; K809-E813 PolarHBondContact O-N 2.76Å |
| 810 | D | 89.1 | Confident | 89.4 | Confident | 85 Ų | 85 | 122.6 Ų | 122.6 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 175.3 | -69.3 | -2.5 | 0 | 0 | 0 | 111.9 | Q806 E813 K814 | Q806-D810 PolarHBondContact NE2-OD1 2.91Å; Q806-D810 PolarHBondContact O-N 3.21Å; D810-E813 PolarHBondContact O-N 2.88Å; D810-K814 WeakPolarHBondContact O-CB 3.36Å; D810-K814 PolarHBondContact O-N 3.24Å |
| 811 | K | 93.3 | Very high | 89.6 | Confident | 161 Ų | 161 | 121 Ų | 121 | 70% | 0.7 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | 176.4 | -175.7 | -176.1 | 176.8 | -170.2 | 0 | 111.8 | R807 E808 K809 E815 | R807-K811 WeakPolarHBondContact O-CB 3.31Å; R807-K811 PolarHBondContact O-N 2.88Å; E808-K811 WeakPolarHBondContact O-CB 3.48Å; E808-K811 PolarHBondContact O-N 2.71Å; K809-K811 VanDerWaalsContact C-N 3.31Å; K809-K811 PolarHBondContact O-N 3.17Å; K811-E815 PolarHBondContact O-N 3.23Å; K811-E815 VanDerWaalsContact O-N 3.13Å |
| 812 | K | 92.7 | Very high | 89.9 | Confident | 158 Ų | 158 | 120 Ų | 120 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.1 | -41.4 | 176.9 | -169.4 | 172.6 | -177.1 | 175.4 | 0 | 111.4 | E808 K809 R816 | E808-K812 WeakPolarHBondContact O-CB 3.15Å; E808-K812 PolarHBondContact O-N 3.5Å; K809-K812 WeakPolarHBondContact O-CB 3.38Å; K809-K812 PolarHBondContact O-N 3.37Å; K809-K812 VanDerWaalsContact O-N 3.14Å; K812-R816 WeakPolarHBondContact O-CB 3.47Å; K812-R816 PolarHBondContact O-N 3.28Å |
| 813 | E | 90.6 | Very high | 90.2 | Very high | 120 Ų | 120 | 117.3 Ų | 117.3 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66 | -45.7 | 174.2 | 177.3 | 151.5 | -136.4 | 0 | 0 | 112.3 | K809 D810 E815 R816 E817 | K809-E813 PolarHBondContact O-N 2.76Å; D810-E813 PolarHBondContact O-N 2.88Å; E813-E815 VanDerWaalsContact C-N 3.27Å; E813-E815 PolarHBondContact O-N 2.86Å; E813-R816 CarbonylContact O-C 3.44Å; E813-R816 WeakPolarHBondContact O-CA 3.18Å; E813-R816 WeakPolarHBondContact O-CB 3.48Å; E813-R816 PolarHBondContact O-N 2.87Å; E813-E817 PolarHBondContact O-N 2.85Å |
| 814 | K | 92.1 | Very high | 90.4 | Very high | 144 Ų | 144 | 118.8 Ų | 118.8 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.3 | -34.7 | 178.4 | -168.1 | 167.7 | -170.7 | 165.5 | 0 | 112.9 | D810 R818 | D810-K814 WeakPolarHBondContact O-CB 3.36Å; D810-K814 PolarHBondContact O-N 3.24Å; K814-R818 WeakPolarHBondContact O-CG 3.38Å; K814-R818 PolarHBondContact O-N 3.35Å; K814-R818 VanDerWaalsContact O-N 3.15Å |
| 815 | E | 92.6 | Very high | 90.5 | Very high | 66 Ų | 66 | 115.3 Ų | 115.3 | 31% | 0.308 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -76.3 | -32.2 | 171.9 | -176.1 | 53.7 | -155.7 | 0 | 0 | 112.6 | K811 E813 R818 R819 R822 | K811-E815 PolarHBondContact O-N 3.23Å; K811-E815 VanDerWaalsContact O-N 3.13Å; E813-E815 VanDerWaalsContact C-N 3.27Å; E813-E815 PolarHBondContact O-N 2.86Å; E815-R818 PolarHBondContact O-N 2.78Å; E815-R818 WeakPolarHBondContact OE2-CD 3.46Å; E815-R819 WeakPolarHBondContact O-CG 3.33Å; E815-R819 PolarHBondContact O-N 2.78Å; E815-R822 IonicContact OE1-CZ 2.74Å; E815-R822 IonicContact OE1-NH1 3.2Å; E815-R822 IonicContact OE1-NH2 2.7Å; E815-R822 PolarHBondContact OE1-NH2 2.69Å; E815-R822 IonicContact OE2-NH2 3.82Å |
| 816 | R | 91.8 | Very high | 90.4 | Very high | 166 Ų | 166 | 120.6 Ų | 120.6 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 172.4 | -163.3 | 179.2 | -166.8 | 178 | 5.9 | 111.8 | K812 E813 R819 R820 | K812-R816 WeakPolarHBondContact O-CB 3.47Å; K812-R816 PolarHBondContact O-N 3.28Å; E813-R816 CarbonylContact O-C 3.44Å; E813-R816 WeakPolarHBondContact O-CA 3.18Å; E813-R816 WeakPolarHBondContact O-CB 3.48Å; E813-R816 PolarHBondContact O-N 2.87Å; R816-R819 PolarHBondContact O-N 3.07Å; R816-R820 PolarHBondContact O-N 3.43Å |
| 817 | E | 91.1 | Very high | 90.4 | Very high | 68 Ų | 68 | 121.2 Ų | 121.2 | 32% | 0.318 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.5 | -36.2 | 174.7 | -165.7 | 56.3 | -141.2 | 0 | 0 | 112.1 | E813 R819 R820 Q821 R824 | E813-E817 PolarHBondContact O-N 2.85Å; E817-R819 VanDerWaalsContact C-N 3.28Å; E817-R819 PolarHBondContact O-N 3.05Å; E817-R820 PolarHBondContact O-N 3.16Å; E817-R820 WeakPolarHBondContact OE2-CD 3.36Å; E817-R820 IonicContact OE2-CZ 2.72Å; E817-R820 IonicContact OE2-NE 2.67Å; E817-R820 IonicContact OE2-NH1 2.78Å; E817-R820 PolarHBondContact OE2-NH1 2.92Å; E817-Q821 PolarHBondContact O-N 2.85Å; E817-R824 IonicContact OE1-CZ 3.21Å; E817-R824 VanDerWaalsContact OE1-CZ 3.22Å; E817-R824 IonicContact OE1-NH1 2.67Å; E817-R824 PolarHBondContact OE1-NH1 2.91Å; E817-R824 IonicContact OE1-NH2 3.82Å; E817-R824 PolarHBondContact OE1-NH2 3.43Å |
| 818 | R | 91.4 | Very high | 90.1 | Very high | 155 Ų | 155 | 119.4 Ų | 119.4 | 59% | 0.585 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -32.9 | 169.4 | -79.1 | 175.1 | 161.4 | -179 | -5.6 | 113.3 | K814 E815 R822 | K814-R818 WeakPolarHBondContact O-CG 3.38Å; K814-R818 PolarHBondContact O-N 3.35Å; K814-R818 VanDerWaalsContact O-N 3.15Å; E815-R818 PolarHBondContact O-N 2.78Å; E815-R818 WeakPolarHBondContact OE2-CD 3.46Å; R818-R822 VanDerWaalsContact C-NH2 3.3Å; R818-R822 WeakPolarHBondContact O-CG 2.95Å; R818-R822 PolarHBondContact O-N 2.77Å; R818-R822 PolarHBondContact O-NE 2.82Å; R818-R822 PolarHBondContact O-NH2 2.73Å |
| 819 | R | 91.4 | Very high | 89.7 | Confident | 160 Ų | 160 | 119.1 Ų | 119.1 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -52.4 | 171.4 | -71.9 | -178.5 | -175.7 | -166.4 | 1.7 | 110.5 | E815 R816 E817 Q821 R822 D823 | E815-R819 WeakPolarHBondContact O-CG 3.33Å; E815-R819 PolarHBondContact O-N 2.78Å; R816-R819 PolarHBondContact O-N 3.07Å; E817-R819 VanDerWaalsContact C-N 3.28Å; E817-R819 PolarHBondContact O-N 3.05Å; R819-Q821 VanDerWaalsContact C-N 3.27Å; R819-Q821 PolarHBondContact O-N 3.43Å; R819-R822 PolarHBondContact O-N 2.9Å; R819-R822 VanDerWaalsContact O-N 3.1Å; R819-D823 PolarHBondContact O-N 3.43Å |
| 820 | R | 91.5 | Very high | 89.3 | Confident | 110 Ų | 110 | 120.8 Ų | 120.8 | 42% | 0.415 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -51 | -44.1 | 174.7 | -72.6 | 164.5 | 170.9 | 165.6 | -1.5 | 112.4 | R816 E817 D823 R824 | R816-R820 PolarHBondContact O-N 3.43Å; E817-R820 PolarHBondContact O-N 3.16Å; E817-R820 WeakPolarHBondContact OE2-CD 3.36Å; E817-R820 IonicContact OE2-CZ 2.72Å; E817-R820 IonicContact OE2-NE 2.67Å; E817-R820 IonicContact OE2-NH1 2.78Å; E817-R820 PolarHBondContact OE2-NH1 2.92Å; R820-D823 PolarHBondContact O-N 3.34Å; R820-R824 WeakPolarHBondContact O-CG 3.48Å; R820-R824 PolarHBondContact O-N 2.78Å |
| 821 | Q | 89.4 | Confident | 88.9 | Confident | 85 Ų | 85 | 122.2 Ų | 122.2 | 40% | 0.397 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 178 | -170.2 | 58.7 | 36.2 | 0 | 0 | 111.9 | E817 R819 D823 R824 D825 | E817-Q821 PolarHBondContact O-N 2.85Å; R819-Q821 VanDerWaalsContact C-N 3.27Å; R819-Q821 PolarHBondContact O-N 3.43Å; Q821-D823 PolarHBondContact O-N 2.82Å; Q821-D823 VanDerWaalsContact O-N 3.14Å; Q821-R824 CarbonylContact O-C 3.56Å; Q821-R824 WeakPolarHBondContact O-CA 3.36Å; Q821-R824 WeakPolarHBondContact O-CB 3.44Å; Q821-R824 PolarHBondContact O-N 3.23Å; Q821-D825 PolarHBondContact NE2-OD1 2.8Å; Q821-D825 PolarHBondContact O-N 3.49Å |
| 822 | R | 91.4 | Very high | 87.9 | Confident | 115 Ų | 115 | 116.6 Ų | 116.6 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.8 | -30.1 | 176.2 | -75.8 | 171.1 | -70.2 | -166.1 | -0.5 | 113 | E815 R818 R819 D825 R826 | E815-R822 IonicContact OE1-CZ 2.74Å; E815-R822 IonicContact OE1-NH1 3.2Å; E815-R822 IonicContact OE1-NH2 2.7Å; E815-R822 PolarHBondContact OE1-NH2 2.69Å; E815-R822 IonicContact OE2-NH2 3.82Å; R818-R822 VanDerWaalsContact C-NH2 3.3Å; R818-R822 WeakPolarHBondContact O-CG 2.95Å; R818-R822 PolarHBondContact O-N 2.77Å; R818-R822 PolarHBondContact O-NE 2.82Å; R818-R822 PolarHBondContact O-NH2 2.73Å; R819-R822 PolarHBondContact O-N 2.9Å; R819-R822 VanDerWaalsContact O-N 3.1Å; R822-D825 WeakPolarHBondContact CA-OD2 3.3Å; R822-R826 WeakPolarHBondContact O-CB 3.31Å; R822-R826 WeakPolarHBondContact O-CD 3.48Å; R822-R826 WeakPolarHBondContact O-CG 3.32Å; R822-R826 PolarHBondContact O-N 2.59Å |
| 823 | D | 89.7 | Confident | 86.7 | Confident | 79 Ų | 79 | 112.9 Ų | 112.9 | 42% | 0.422 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -80.1 | -31 | 175 | -64.9 | -36.8 | 0 | 0 | 0 | 113.1 | R819 R820 Q821 R826 T827 | R819-D823 PolarHBondContact O-N 3.43Å; R820-D823 PolarHBondContact O-N 3.34Å; Q821-D823 PolarHBondContact O-N 2.82Å; Q821-D823 VanDerWaalsContact O-N 3.14Å; D823-R826 IonicContact OD1-NH1 3.5Å; D823-R826 PolarHBondContact OD1-NH1 3.01Å; D823-T827 WeakPolarHBondContact O-CB 3.2Å; D823-T827 PolarHBondContact O-N 2.84Å; D823-T827 PolarHBondContact O-OG1 2.85Å |
| 824 | R | 91.9 | Very high | 85.7 | Confident | 108 Ų | 108 | 116.7 Ų | 116.7 | 41% | 0.408 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -53 | 164.6 | -66.8 | 176.2 | -166.2 | 115.2 | 5.4 | 110.1 | E817 R820 Q821 R826 T827 E828 | E817-R824 IonicContact OE1-CZ 3.21Å; E817-R824 VanDerWaalsContact OE1-CZ 3.22Å; E817-R824 IonicContact OE1-NH1 2.67Å; E817-R824 PolarHBondContact OE1-NH1 2.91Å; E817-R824 IonicContact OE1-NH2 3.82Å; E817-R824 PolarHBondContact OE1-NH2 3.43Å; R820-R824 WeakPolarHBondContact O-CG 3.48Å; R820-R824 PolarHBondContact O-N 2.78Å; Q821-R824 CarbonylContact O-C 3.56Å; Q821-R824 WeakPolarHBondContact O-CA 3.36Å; Q821-R824 WeakPolarHBondContact O-CB 3.44Å; Q821-R824 PolarHBondContact O-N 3.23Å; R824-R826 VanDerWaalsContact C-N 3.31Å; R824-R826 PolarHBondContact O-N 3.08Å; R824-T827 CarbonylContact O-C 3.54Å; R824-T827 WeakPolarHBondContact O-CA 3.46Å; R824-T827 WeakPolarHBondContact O-CB 3.17Å; R824-T827 PolarHBondContact O-N 3.49Å; R824-E828 PolarHBondContact O-N 2.92Å |
| 825 | D | 88.6 | Confident | 84.2 | Confident | 74 Ų | 74 | 116.2 Ų | 116.2 | 40% | 0.396 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55 | -45.6 | -179.1 | -52.9 | -26.6 | 0 | 0 | 0 | 111.1 | Q821 R822 T827 E828 Q829 | Q821-D825 PolarHBondContact NE2-OD1 2.8Å; Q821-D825 PolarHBondContact O-N 3.49Å; R822-D825 WeakPolarHBondContact CA-OD2 3.3Å; D825-T827 PolarHBondContact O-N 2.77Å; D825-E828 PolarHBondContact O-N 2.8Å; D825-Q829 VanDerWaalsContact O-CB 3.29Å; D825-Q829 WeakPolarHBondContact O-CB 3.12Å; D825-Q829 PolarHBondContact O-N 3.24Å |
| 826 | R | 87.8 | Confident | 82.5 | Confident | 168 Ų | 168 | 119.8 Ų | 119.8 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -36.9 | 173.9 | -78.9 | 167.4 | 165.7 | -179.8 | -6.8 | 113.6 | R822 D823 R824 K830 | R822-R826 WeakPolarHBondContact O-CB 3.31Å; R822-R826 WeakPolarHBondContact O-CD 3.48Å; R822-R826 WeakPolarHBondContact O-CG 3.32Å; R822-R826 PolarHBondContact O-N 2.59Å; D823-R826 IonicContact OD1-NH1 3.5Å; D823-R826 PolarHBondContact OD1-NH1 3.01Å; R824-R826 VanDerWaalsContact C-N 3.31Å; R824-R826 PolarHBondContact O-N 3.08Å; R826-K830 VanDerWaalsContact O-CB 3.23Å; R826-K830 WeakPolarHBondContact O-CB 3.27Å; R826-K830 PolarHBondContact O-N 2.63Å |
| 827 | T | 86.9 | Confident | 80.5 | Confident | 95 Ų | 95 | 119.5 Ų | 119.5 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.2 | -40.7 | 179.6 | -59 | 0 | 0 | 0 | 0 | 110.8 | D823 R824 D825 K831 | D823-T827 WeakPolarHBondContact O-CB 3.2Å; D823-T827 PolarHBondContact O-N 2.84Å; D823-T827 PolarHBondContact O-OG1 2.85Å; R824-T827 CarbonylContact O-C 3.54Å; R824-T827 WeakPolarHBondContact O-CA 3.46Å; R824-T827 WeakPolarHBondContact O-CB 3.17Å; R824-T827 PolarHBondContact O-N 3.49Å; D825-T827 PolarHBondContact O-N 2.77Å; T827-K831 WeakPolarHBondContact O-CB 3.5Å; T827-K831 PolarHBondContact O-N 2.73Å |
| 828 | E | 80.8 | Confident | 78.4 | Confident | 134 Ų | 134 | 121.2 Ų | 121.2 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.6 | -42.6 | 173.5 | -69.9 | -172.7 | 177.8 | 0 | 0 | 111.8 | R824 D825 K830 K831 S832 | R824-E828 PolarHBondContact O-N 2.92Å; D825-E828 PolarHBondContact O-N 2.8Å; E828-K830 PolarHBondContact O-N 2.84Å; E828-K831 CarbonylContact O-C 3.5Å; E828-K831 WeakPolarHBondContact O-CB 3.2Å; E828-K831 PolarHBondContact O-N 2.85Å; E828-K831 VanDerWaalsContact O-N 3.16Å; E828-S832 PolarHBondContact O-N 3.38Å |
| 829 | Q | 80.1 | Confident | 76.1 | Confident | 121 Ų | 121 | 119.2 Ų | 119.2 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58 | -50.3 | 173.5 | -174.2 | 172.5 | 6.6 | 0 | 0 | 110.8 | D825 K831 S832 D833 | D825-Q829 VanDerWaalsContact O-CB 3.29Å; D825-Q829 WeakPolarHBondContact O-CB 3.12Å; D825-Q829 PolarHBondContact O-N 3.24Å; Q829-K831 VanDerWaalsContact C-N 3.27Å; Q829-K831 PolarHBondContact O-N 2.82Å; Q829-S832 CarbonylContact O-C 3.6Å; Q829-S832 WeakPolarHBondContact O-CA 3.42Å; Q829-S832 WeakPolarHBondContact O-CB 3.08Å; Q829-S832 PolarHBondContact O-N 2.92Å; Q829-S832 VanDerWaalsContact O-N 3.07Å; Q829-S832 PolarHBondContact O-OG 3.02Å; Q829-D833 VanDerWaalsContact O-CG 3.31Å; Q829-D833 PolarHBondContact O-N 2.75Å |
| 830 | K | 82.1 | Confident | 73.8 | Confident | 164 Ų | 164 | 121.8 Ų | 121.8 | 71% | 0.713 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.9 | -29.7 | 176.7 | -172.8 | 174.1 | -177.5 | 177.1 | 0 | 113.4 | R826 E828 R834 | R826-K830 VanDerWaalsContact O-CB 3.23Å; R826-K830 WeakPolarHBondContact O-CB 3.27Å; R826-K830 PolarHBondContact O-N 2.63Å; E828-K830 PolarHBondContact O-N 2.84Å; K830-R834 WeakPolarHBondContact O-CB 3.08Å; K830-R834 PolarHBondContact O-N 2.99Å |
| 831 | K | 80 | Confident | 71.5 | Confident | 116 Ų | 116 | 126.6 Ų | 126.6 | 50% | 0.504 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.6 | -43.2 | 171.4 | -174.7 | 174.9 | 177.5 | -65.8 | 0 | 111 | T827 E828 Q829 D833 R834 E835 | T827-K831 WeakPolarHBondContact O-CB 3.5Å; T827-K831 PolarHBondContact O-N 2.73Å; E828-K831 CarbonylContact O-C 3.5Å; E828-K831 WeakPolarHBondContact O-CB 3.2Å; E828-K831 PolarHBondContact O-N 2.85Å; E828-K831 VanDerWaalsContact O-N 3.16Å; Q829-K831 VanDerWaalsContact C-N 3.27Å; Q829-K831 PolarHBondContact O-N 2.82Å; K831-D833 VanDerWaalsContact C-N 3.32Å; K831-D833 PolarHBondContact O-N 2.87Å; K831-R834 PolarHBondContact O-N 2.88Å; K831-E835 VanDerWaalsContact CE-OE1 3.3Å; K831-E835 WeakPolarHBondContact CE-OE1 3.44Å; K831-E835 WeakPolarHBondContact CG-OE1 3.39Å; K831-E835 IonicContact NZ-OE1 3.91Å; K831-E835 PolarHBondContact NZ-OE1 3.29Å; K831-E835 IonicContact NZ-OE2 2.81Å; K831-E835 PolarHBondContact NZ-OE2 3.46Å; K831-E835 WeakPolarHBondContact O-CB 3.33Å; K831-E835 WeakPolarHBondContact O-CG 3.47Å; K831-E835 PolarHBondContact O-N 3.43Å |
| 832 | S | 71.6 | Confident | 69.2 | Low | 42 Ų | 42 | 134.1 Ų | 134.1 | 29% | 0.294 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63 | -37.3 | 175.5 | 87.5 | 0 | 0 | 0 | 0 | 112.3 | E828 Q829 R834 E835 K836 | E828-S832 PolarHBondContact O-N 3.38Å; Q829-S832 CarbonylContact O-C 3.6Å; Q829-S832 WeakPolarHBondContact O-CA 3.42Å; Q829-S832 WeakPolarHBondContact O-CB 3.08Å; Q829-S832 PolarHBondContact O-N 2.92Å; Q829-S832 VanDerWaalsContact O-N 3.07Å; Q829-S832 PolarHBondContact O-OG 3.02Å; S832-R834 VanDerWaalsContact C-N 3.34Å; S832-E835 PolarHBondContact O-N 3.13Å; S832-K836 WeakPolarHBondContact O-CG 3.43Å; S832-K836 PolarHBondContact O-N 3.3Å; S832-K836 PolarHBondContact OG-NZ 3.18Å |
| 833 | D | 68.8 | Low | 66.7 | Low | 81 Ų | 81 | 138.8 Ų | 138.8 | 43% | 0.433 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.9 | -28.3 | 178.2 | -64.4 | -28.2 | 0 | 0 | 0 | 111.9 | Q829 K831 K836 | Q829-D833 VanDerWaalsContact O-CG 3.31Å; Q829-D833 PolarHBondContact O-N 2.75Å; K831-D833 VanDerWaalsContact C-N 3.32Å; K831-D833 PolarHBondContact O-N 2.87Å; D833-K836 IonicContact OD1-NZ 3.93Å; D833-K836 PolarHBondContact OD1-NZ 3.11Å |
| 834 | R | 68.8 | Low | 64.3 | Low | 200 Ų | 200 | 143.3 Ų | 143.3 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -76.5 | -32.7 | 170.8 | -167.6 | 178 | -173.2 | -173.1 | 1.1 | 112.8 | K830 K831 S832 K836 E837 | K830-R834 WeakPolarHBondContact O-CB 3.08Å; K830-R834 PolarHBondContact O-N 2.99Å; K831-R834 PolarHBondContact O-N 2.88Å; S832-R834 VanDerWaalsContact C-N 3.34Å; R834-K836 VanDerWaalsContact C-N 3.31Å; R834-E837 PolarHBondContact O-N 3.09Å |
| 835 | E | 59.7 | Low | 61.8 | Low | 133 Ų | 133 | 147.4 Ų | 147.4 | 62% | 0.621 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -77.3 | -18.6 | 175.1 | -75.6 | 167 | -172.1 | 0 | 0 | 112.3 | K831 S832 E837 | K831-E835 VanDerWaalsContact CE-OE1 3.3Å; K831-E835 WeakPolarHBondContact CE-OE1 3.44Å; K831-E835 WeakPolarHBondContact CG-OE1 3.39Å; K831-E835 IonicContact NZ-OE1 3.91Å; K831-E835 PolarHBondContact NZ-OE1 3.29Å; K831-E835 IonicContact NZ-OE2 2.81Å; K831-E835 PolarHBondContact NZ-OE2 3.46Å; K831-E835 WeakPolarHBondContact O-CB 3.33Å; K831-E835 WeakPolarHBondContact O-CG 3.47Å; K831-E835 PolarHBondContact O-N 3.43Å; S832-E835 PolarHBondContact O-N 3.13Å; E835-E837 PolarHBondContact O-N 3.18Å |
| 836 | K | 58.7 | Low | 59.6 | Low | 141 Ų | 141 | 153.1 Ų | 153.1 | 61% | 0.613 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 5.2 | 165.6 | -71.5 | 167.3 | -157.2 | 152.9 | 0 | 114.4 | S832 D833 R834 P838 | S832-K836 WeakPolarHBondContact O-CG 3.43Å; S832-K836 PolarHBondContact O-N 3.3Å; S832-K836 PolarHBondContact OG-NZ 3.18Å; D833-K836 IonicContact OD1-NZ 3.93Å; D833-K836 PolarHBondContact OD1-NZ 3.11Å; R834-K836 VanDerWaalsContact C-N 3.31Å; K836-P838 WeakPolarHBondContact O-CD 3.46Å |
| 837 | E | 48.6 | Very low | 57.1 | Low | 160 Ų | 160 | 154 Ų | 154 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -107.2 | 77.1 | 177.6 | -166.7 | -176.2 | -149.2 | 0 | 0 | 113.4 | R834 E835 | R834-E837 PolarHBondContact O-N 3.09Å; E835-E837 PolarHBondContact O-N 3.18Å | ||
| 838 | P | 47.1 | Very low | 54.8 | Low | 104 Ų | 104 | 156.7 Ų | 156.7 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | -86.5 | 121.4 | 177.4 | 32.8 | -34.5 | 0 | 0 | 0 | 114.3 | K836 | K836-P838 WeakPolarHBondContact O-CD 3.46Š| ||
| 839 | S | 42.4 | Very low | 52.9 | Low | 114 Ų | 114 | 159 Ų | 159 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | 67.8 | 78.3 | 133.4 | -58.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 840 | K | 44.8 | Very low | 50.9 | Low | 214 Ų | 214 | 162.4 Ų | 162.4 | 93% | 0.93 | 75% | 0.753 | S | S | * | * | trans | -138.2 | 64.8 | 150.7 | -78.4 | -161.7 | 177.5 | -178 | 0 | 114.8 | ||||
| 841 | K | 42.8 | Very low | 48.7 | Very low | 211 Ų | 211 | 161.8 Ų | 161.8 | 92% | 0.917 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -154.6 | 27.1 | 162.9 | -133.1 | 171.6 | -174.4 | 178.9 | 0 | 118.2 | ||
| 842 | R | 41.3 | Very low | 46.4 | Very low | 243 Ų | 243 | 164.2 Ų | 164.2 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | -131.5 | 85.3 | 173.2 | -88.6 | -174.9 | 165.4 | 173.8 | -4.3 | 112.4 | ||||
| 843 | K | 38.8 | Very low | 44.5 | Very low | 212 Ų | 212 | 169.1 Ų | 169.1 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | 177.2 | 68.7 | 153.2 | -103.9 | 176.7 | -179.4 | -179 | 0 | 111.7 | ||||
| 844 | L | 37.8 | Very low | 42.8 | Very low | 174 Ų | 174 | 176 Ų | 176 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -150.2 | 45.5 | 161 | -158.6 | 87.3 | 0 | 0 | 0 | 111.8 | ||
| 845 | E | 40.1 | Very low | 41.1 | Very low | 194 Ų | 194 | 177.8 Ų | 177.8 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -148.7 | 33.6 | 179.2 | -141.6 | 162.5 | -131.1 | 0 | 0 | 110.9 | ||
| 846 | K | 41.9 | Very low | 39.7 | Very low | 195 Ų | 195 | 180 Ų | 180 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -127.9 | 51.6 | 173.1 | -164 | 179.9 | 179.2 | 172.8 | 0 | 110.1 | ||
| 847 | K | 36.2 | Very low | 39.3 | Very low | 186 Ų | 186 | 178.2 Ų | 178.2 | 81% | 0.809 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -149.7 | -3.1 | 178.8 | -141.2 | -148.9 | 169.4 | -166.7 | 0 | 117.4 | ||
| 848 | D | 39.3 | Very low | 38.5 | Very low | 152 Ų | 152 | 176.6 Ų | 176.6 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -111.2 | 4.8 | 178.2 | -61.8 | -72.2 | 0 | 0 | 0 | 113.7 | K850 | D848-K850 PolarHBondContact O-N 3.24Š|
| 849 | E | 40.3 | Very low | 38 | Very low | 182 Ų | 182 | 180.6 Ų | 180.6 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 45.4 | 166 | -164.7 | -177 | -152.4 | 0 | 0 | 111.2 | ||
| 850 | K | 38.4 | Very low | 37.8 | Very low | 193 Ų | 193 | 184 Ų | 184 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.5 | 39 | 179.2 | -141.1 | -173.4 | 178.8 | -179.3 | 0 | 118.8 | D848 | D848-K850 PolarHBondContact O-N 3.24Š|
| 851 | E | 34.8 | Very low | 37.5 | Very low | 151 Ų | 151 | 183.5 Ų | 183.5 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -148.8 | 125.1 | 160.5 | -131 | -172.9 | 113.2 | 0 | 0 | 114.3 | ||
| 852 | K | 32.9 | Very low | 36.9 | Very low | 166 Ų | 166 | 176.6 Ų | 176.6 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 57.4 | 111.9 | 171.5 | -61.1 | 136.9 | 174.9 | 164.8 | 0 | 115.4 | ||||
| 853 | D | 30.9 | Very low | 36.8 | Very low | 145 Ų | 145 | 172.3 Ų | 172.3 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | cis | 54.5 | 90.7 | 15.2 | -172.5 | 20.2 | 0 | 0 | 0 | 115.3 | ||||
| 854 | R | 33.3 | Very low | 36.8 | Very low | 227 Ų | 227 | 166.3 Ų | 166.3 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -174.8 | 105.9 | 143.9 | -102 | 160.3 | -168.8 | -154.1 | 1.8 | 112.8 | ||||
| 855 | R | 32.7 | Very low | 36.7 | Very low | 236 Ų | 236 | 166 Ų | 166 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | 39.2 | 121.2 | 141.9 | -63.9 | 176.5 | 173.1 | 153.9 | -1.8 | 121.4 | ||||
| 856 | E | 30.3 | Very low | 36.4 | Very low | 180 Ų | 180 | 160.5 Ų | 160.5 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | 7.3 | 164.7 | 117.8 | -87.9 | -167.1 | 141.3 | 0 | 0 | 121.6 | |||||
| 857 | P | 50.7 | Low | 36.1 | Very low | 103 Ų | 103 | 158.9 Ų | 158.9 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -142.8 | -168.2 | -8.9 | 28.1 | -1.9 | 0 | 0 | 0 | 116.4 | ||||
| 858 | E | 31.7 | Very low | 36 | Very low | 126 Ų | 126 | 155.9 Ų | 155.9 | 59% | 0.589 | 76% | 0.756 | S | S | * | * | trans | 99.2 | 121.6 | 146.6 | -65.1 | -135.5 | 124.9 | 0 | 0 | 125.4 | ||||
| 859 | R | 36.4 | Very low | 35.7 | Very low | 188 Ų | 188 | 158.8 Ų | 158.8 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | 80.8 | 109.2 | 128.1 | -72 | 178.6 | 179.2 | 155.3 | -1.7 | 125.7 | |||||
| 860 | K | 39 | Very low | 35.2 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | 67.9 | 116.5 | 120.7 | -72.8 | -175.3 | 174.6 | 178.2 | 0 | 124.1 | |||||
| 861 | K | 37.4 | Very low | 34.8 | Very low | 203 Ų | 203 | 155.3 Ų | 155.3 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | 78.5 | 120.2 | 118.1 | -172.3 | -173.9 | -178.5 | -177.5 | 0 | 121.7 | |||||
| 862 | G | 31.1 | Very low | 34.5 | Very low | 65 Ų | 65 | 152.9 Ų | 152.9 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | 150.5 | 92.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 863 | K | 39.3 | Very low | 34.2 | Very low | 153 Ų | 153 | 149.8 Ų | 149.8 | 67% | 0.665 | 76% | 0.756 | S | S | * | * | 62.1 | 132 | 126.9 | -96.1 | -167.1 | 175 | -165.1 | 0 | 126.5 | |||||
| 864 | S | 38.9 | Very low | 34.3 | Very low | 86 Ų | 86 | 148.5 Ų | 148.5 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | 91.4 | 118.1 | 121.2 | 67.3 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 865 | D | 34.4 | Very low | 34.2 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 90% | 0.904 | 75% | 0.75 | S | S | * | * | trans | 70.9 | 148.9 | 131.3 | -59.2 | -38.5 | 0 | 0 | 0 | 123.3 | ||||
| 866 | G | 34.4 | Very low | 34.2 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 174.6 | -1.2 | 175 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 867 | K | 35.9 | Very low | 34.4 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | trans | 15.7 | 130.5 | 166.3 | -88.4 | 173.3 | 157.7 | -81.8 | 0 | 122.7 | ||||
| 868 | E | 33.8 | Very low | 33.5 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 58% | 0.579 | 75% | 0.748 | S | S | * | * | trans | 66.4 | 146 | 135.2 | -60.1 | 159 | 169.6 | 0 | 0 | 118.8 | ||||
| 869 | Y | 33.4 | Very low | 33.7 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | cis | -146 | -171.6 | 39.1 | -109.6 | -80 | 0 | 0 | 0 | 114.5 | ||||
| 870 | S | 28.8 | Very low | 33.5 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | trans | -122 | 151.6 | -164.1 | -71.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 871 | K | 29.9 | Very low | 33 | Very low | 208 Ų | 208 | 135 Ų | 135 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | 69.1 | 151.4 | 159.7 | -61.5 | 157 | -176.1 | 175.7 | 0 | 115 | ||||
| 872 | A | 29.3 | Very low | 32.5 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | cis | -154.7 | 178.4 | 22.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 873 | S | 27.5 | Very low | 32.5 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 115.7 | 115.9 | 146.4 | -149.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 874 | T | 31.2 | Very low | 32 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | 54 | 105.6 | 141.3 | 53 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 875 | T | 32.8 | Very low | 31.6 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 60.5 | 96.6 | 113.9 | -44.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 876 | S | 32.3 | Very low | 31.3 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | 74 | 108.6 | 136.1 | 75.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 877 | L | 33.8 | Very low | 30.9 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | 85.3 | 157.8 | 124.2 | -65.7 | 172.1 | 0 | 0 | 0 | 122.7 | |||||
| 878 | I | 31.3 | Very low | 30.6 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | 84.5 | 127.9 | 168 | -48.7 | -174.9 | 0 | 0 | 0 | 116.8 | ||||
| 879 | P | 37.3 | Very low | 31.1 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -96.4 | 129.2 | -174.5 | 35.9 | -34.3 | 0 | 0 | 0 | 116.4 | ||||
| 880 | T | 32.5 | Very low | 30.9 | Very low | 128 Ų | 128 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 41.2 | 109.9 | 145.1 | 59.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 881 | L | 27.3 | Very low | 30.9 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | trans | -147.8 | 127.3 | 136.6 | -83 | -172.7 | 0 | 0 | 0 | 112.4 | ||||
| 882 | S | 27.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 27.5 | 140.4 | 151.4 | -104.1 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 883 | L | 29.7 | Very low | 30.8 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | trans | 82.6 | 102.7 | 140.7 | -69.9 | 164.6 | 0 | 0 | 0 | 123.3 | ||||
| 884 | K | 30.2 | Very low | 30.9 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | 53.1 | 108.4 | 127 | -67.9 | -176.9 | -180 | 177.6 | 0 | 123.3 | |||||
| 885 | N | 29.8 | Very low | 30.6 | Very low | 129 Ų | 129 | 142 Ų | 142 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | 85.8 | 143.3 | 120.3 | -62 | 3.9 | 0 | 0 | 0 | 124.3 | |||||
| 886 | F | 28.7 | Very low | 30.5 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 87.8 | 86.7 | 151.8 | -69.1 | -60.3 | 0 | 0 | 0 | 123.9 | ||||
| 887 | R | 25.5 | Very low | 30.5 | Very low | 201 Ų | 201 | 145 Ų | 145 | 76% | 0.758 | 74% | 0.741 | S | S | * | * | 69.4 | 102.6 | 100.3 | -169.3 | 175.2 | -163.1 | -177.7 | 8.6 | 122.2 | |||||
| 888 | I | 29.9 | Very low | 30.5 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | 68.5 | 146.1 | 127.7 | -72.7 | 178.1 | 0 | 0 | 0 | 119 | |||||
| 889 | P | 44.6 | Very low | 30.5 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | cis | -149.6 | -164.3 | -23.3 | 43.9 | -22.9 | 0 | 0 | 0 | 117.1 | ||||
| 890 | K | 28 | Very low | 30.2 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 79% | 0.787 | 72% | 0.715 | S | S | * | * | trans | 85.3 | 124.2 | 144.1 | -82.7 | -179.8 | -179.3 | -178.6 | 0 | 123.7 | ||||
| 891 | K | 30.2 | Very low | 30.1 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | 78.8 | 130.2 | 128.1 | -78.8 | -167.6 | 148.9 | -71.7 | 0 | 124.5 | |||||
| 892 | D | 28.4 | Very low | 30.2 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 56% | 0.561 | 70% | 0.7 | S | S | * | * | 72.8 | 115 | 128.3 | -56.5 | 1.8 | 0 | 0 | 0 | 125 | |||||
| 893 | T | 28.6 | Very low | 30.3 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | 59.6 | 122.4 | 125.3 | 65 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 894 | V | 28.5 | Very low | 30.3 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | 84.3 | 151.6 | 118.9 | 173.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 895 | E | 25.8 | Very low | 30.3 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | 87.9 | 112.3 | 157.3 | -94.3 | 157.5 | -138.7 | 0 | 0 | 124.3 | ||||
| 896 | E | 30.6 | Very low | 30.8 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 73% | 0.729 | 70% | 0.702 | S | S | * | * | 54.9 | 147.2 | 117.7 | -75.4 | -149.8 | 128.3 | 0 | 0 | 127.1 | |||||
| 897 | E | 31.6 | Very low | 30.9 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | trans | 65.9 | 155.6 | 143.9 | -78.1 | -164.2 | 132.8 | 0 | 0 | 120.1 | ||||
| 898 | K | 33.5 | Very low | 32.2 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 61% | 0.613 | 70% | 0.698 | S | S | * | * | cis | -161.2 | 157.3 | 8.4 | -129.7 | 164.3 | 176.5 | 127 | 0 | 110.3 | ||||
| 899 | K | 32.7 | Very low | 32.3 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | trans | 66.6 | 158 | 147.1 | -78.3 | 177.6 | 153.8 | -69.4 | 0 | 119.3 | ||||
| 900 | D | 29.8 | Very low | 31.8 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 57% | 0.572 | 71% | 0.705 | S | S | * | * | cis | -158.2 | 156.6 | -0.3 | -122.1 | -18.3 | 0 | 0 | 0 | 111.6 | ||||
| 901 | V | 31 | Very low | 32 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | 65.6 | 143.6 | 140.5 | 164.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 902 | K | 29.5 | Very low | 32.3 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 64% | 0.635 | 71% | 0.707 | S | S | * | * | cis | -177.9 | 149.9 | -15.1 | 177.9 | 167.3 | 177.4 | -90.2 | 0 | 110 | ||||
| 903 | E | 29.9 | Very low | 32.4 | Very low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | trans | 62.7 | 159.9 | 162.7 | -80.9 | 155.9 | -172.5 | 0 | 0 | 118.9 | ||||
| 904 | E | 28.6 | Very low | 32.7 | Very low | 178 Ų | 178 | 125.1 Ų | 125.1 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | cis | -134.5 | 170.7 | 2.7 | -149.6 | 167.5 | -160 | 0 | 0 | 113 | ||||
| 905 | A | 30.8 | Very low | 32.9 | Very low | 84 Ų | 84 | 127 Ų | 127 | 69% | 0.694 | 70% | 0.702 | S | S | * | * | trans | -93.7 | -169.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 906 | P | 40.9 | Very low | 33.2 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | cis | -133.5 | -176.7 | -1.7 | 41.8 | -23.4 | 0 | 0 | 0 | 115.6 | ||||
| 907 | G | 30.4 | Very low | 32.9 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | trans | -90.8 | -126.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 908 | P | 52.1 | Low | 34.1 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | cis | -148.3 | -160.7 | -6.5 | 43.2 | -22.5 | 0 | 0 | 0 | 114.8 | ||||
| 909 | S | 33 | Very low | 35.1 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | 84.5 | 147.7 | 147.7 | 73.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 910 | S | 33.8 | Very low | 35 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | cis | -88.5 | -160.9 | 5 | 41.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 911 | S | 33.5 | Very low | 34.9 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | cis | -150.4 | -148.5 | 17.6 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 912 | T | 36.3 | Very low | 34.6 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -157.9 | 165 | -153.6 | 45.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 913 | E | 29.7 | Very low | 35.3 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | cis | -170.5 | 176.1 | -9.5 | -106.2 | -130.8 | 116.6 | 0 | 0 | 106.8 | K915 | E913-K915 WeakPolarHBondContact OE1-CE 3.46Å; E913-K915 IonicContact OE1-NZ 2.86Å; E913-K915 PolarHBondContact OE1-NZ 3.26Å; E913-K915 IonicContact OE2-NZ 2.65Å; E913-K915 PolarHBondContact OE2-NZ 3.36Å | ||
| 914 | S | 34.6 | Very low | 35.2 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | cis | 170.1 | 167.7 | -28 | -178 | 0 | 0 | 0 | 0 | 111 | ||||
| 915 | K | 33.6 | Very low | 35.2 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | trans | 65.7 | 165.3 | 173 | -51.9 | 116.9 | -174.3 | 179.2 | 0 | 115.7 | E913 | E913-K915 WeakPolarHBondContact OE1-CE 3.46Å; E913-K915 IonicContact OE1-NZ 2.86Å; E913-K915 PolarHBondContact OE1-NZ 3.26Å; E913-K915 IonicContact OE2-NZ 2.65Å; E913-K915 PolarHBondContact OE2-NZ 3.36Å | ||
| 916 | K | 31.9 | Very low | 35 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | cis | -129.5 | -117.2 | -7.8 | -154.4 | 177.6 | -171.4 | -70.1 | 0 | 112.6 | ||||
| 917 | E | 24 | Very low | 34.4 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | trans | -145.4 | 144.7 | -156.9 | -74.8 | 169.5 | 110.6 | 0 | 0 | 115.5 | ||||
| 918 | P | 56.9 | Low | 34.2 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | trans | -132.6 | 154.2 | 172.7 | 41 | -27.4 | 0 | 0 | 0 | 117.4 | ||||
| 919 | P | 55 | Low | 33 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -131.5 | 173.4 | 177.1 | 42.4 | -29.5 | 0 | 0 | 0 | 118.1 | ||||
| 920 | S | 29.3 | Very low | 32.7 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | 73 | 170.1 | 165.2 | -129.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 921 | A | 27.6 | Very low | 32.4 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | cis | -153 | 166.5 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 922 | A | 25.2 | Very low | 32 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | -169 | -171.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 923 | P | 43.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | cis | -134.1 | -132.9 | -10.3 | 40.8 | -18.9 | 0 | 0 | 0 | 113.5 | ||||
| 924 | I | 28.8 | Very low | 32.1 | Very low | 139 Ų | 139 | 127.7 Ų | 127.7 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 108.8 | 97.5 | 160.3 | -64.7 | 170.6 | 0 | 0 | 0 | 120.7 | ||||
| 925 | T | 27.5 | Very low | 32 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 58.6 | 177.8 | 144 | 74 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 926 | R | 27.3 | Very low | 32.2 | Very low | 202 Ų | 202 | 126.7 Ų | 126.7 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | cis | -164.8 | 144.8 | 2.7 | -144.7 | -179.3 | -177.4 | -166.7 | 3.4 | 111 | ||||
| 927 | K | 27.9 | Very low | 32.1 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 60% | 0.6 | 76% | 0.758 | S | S | * | * | trans | 54.3 | 162.5 | 148.6 | -78.1 | 171.4 | 166.2 | -85.1 | 0 | 119.1 | ||||
| 928 | E | 26.1 | Very low | 32.4 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | cis | -156.5 | 168.7 | -16.6 | -122.9 | 157.4 | -179.8 | 0 | 0 | 111.5 | ||||
| 929 | S | 27.7 | Very low | 31 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 13.5 | 140.7 | 154.4 | -47.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 930 | T | 27.2 | Very low | 29.8 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | -171.4 | 146.1 | 69.5 | -64.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 931 | T | 26.8 | Very low | 29.8 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -3.6 | 147 | 159 | -34.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 932 | A | 25.8 | Very low | 30 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | -74.9 | -164.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 933 | P | 41 | Very low | 30.1 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | cis | -155.4 | -172.4 | 36.3 | 48.7 | -26.9 | 0 | 0 | 0 | 119.1 | ||||
| 934 | V | 26 | Very low | 29.3 | Very low | 135 Ų | 135 | 133 Ų | 133 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | 66.5 | 132.9 | 150.3 | 166.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 935 | A | 32.7 | Very low | 29.3 | Very low | 89 Ų | 89 | 133 Ų | 133 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | -114 | 160.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 936 | P | 38.6 | Very low | 29.4 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | trans | -133.5 | 177.1 | 143.2 | 36.8 | -24 | 0 | 0 | 0 | 112.9 | ||||
| 937 | A | 28.6 | Very low | 29.6 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | trans | -116.3 | -158.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 938 | V | 30.2 | Very low | 29.6 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | trans | 99 | 121.7 | 156.5 | -172.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 939 | Q | 28.1 | Very low | 29.7 | Very low | 157 Ų | 157 | 130 Ų | 130 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | 69.8 | 162.3 | 157.6 | -75.2 | 173 | 35.6 | 0 | 0 | 118.3 | ||||
| 940 | Q | 30.2 | Very low | 29.7 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | cis | -151.1 | 170 | 0.4 | -134.9 | -176.7 | 86.4 | 0 | 0 | 113.7 | ||||
| 941 | Q | 29.4 | Very low | 29.8 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 40.9 | 116.5 | 151.4 | -81.3 | -174.4 | 7.3 | 0 | 0 | 123.6 | ||||
| 942 | Q | 30.6 | Very low | 30.2 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | 47.6 | 139.7 | 117.3 | -70.5 | -164.3 | 12 | 0 | 0 | 123.8 | |||||
| 943 | Q | 27.5 | Very low | 30.3 | Very low | 139 Ų | 139 | 130 Ų | 130 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | 98.8 | 134.2 | 133 | -100.1 | -173 | 79.8 | 0 | 0 | 120.7 | ||||
| 944 | R | 27.6 | Very low | 29.6 | Very low | 195 Ų | 195 | 132.4 Ų | 132.4 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 82.8 | 108.7 | 152.4 | -70.3 | 174 | 179.2 | -127.9 | -5.3 | 120.2 | ||||
| 945 | K | 29.5 | Very low | 30.1 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 60% | 0.6 | 72% | 0.716 | S | S | * | * | 87.8 | 117.4 | 119 | -75.4 | -175.9 | 158.3 | -75.3 | 0 | 119.3 | |||||
| 946 | E | 28.9 | Very low | 29.7 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | 57.1 | 97.1 | 121.6 | -63 | 151 | -159.8 | 0 | 0 | 118.6 | |||||
| 947 | S | 31.4 | Very low | 29.1 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | 71 | 163.9 | 139.4 | 81.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 948 | F | 27.2 | Very low | 29.1 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | cis | -140.8 | 174.2 | 18.8 | -158.7 | -110.3 | 0 | 0 | 0 | 110.3 | ||||
| 949 | T | 29.1 | Very low | 28.9 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | -29.1 | 145.3 | 158.3 | -12.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 950 | A | 27.9 | Very low | 28.7 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 72% | 0.719 | 68% | 0.684 | S | S | * | * | cis | -161.5 | 172.6 | 30.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 951 | L | 27.8 | Very low | 28.4 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | trans | -50.9 | 169.6 | 145.8 | -72.5 | 165.4 | 0 | 0 | 0 | 111.6 | ||||
| 952 | P | 36.9 | Very low | 28 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | cis | -141.1 | -150.3 | 23.3 | 42.2 | -21 | 0 | 0 | 0 | 113.6 | ||||
| 953 | S | 26.2 | Very low | 28 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | trans | 66 | 111 | 161.5 | 33.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 954 | L | 27.6 | Very low | 28.6 | Very low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | cis | 52.5 | 136.3 | 25.4 | -95.4 | 163.4 | 0 | 0 | 0 | 112.1 | ||||
| 955 | P | 35.3 | Very low | 28.7 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 58% | 0.578 | 70% | 0.698 | S | S | * | * | cis | -141.8 | -167 | 23.3 | 46.4 | -27.9 | 0 | 0 | 0 | 114.5 | ||||
| 956 | E | 25.8 | Very low | 28.6 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | 69.4 | 153.1 | 151.8 | -70 | -174.3 | 118.9 | 0 | 0 | 118.3 | ||||
| 957 | Q | 25.9 | Very low | 28.6 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | cis | -145.2 | 145.4 | -3.2 | -131.6 | 177.3 | 32.4 | 0 | 0 | 111.3 | ||||
| 958 | Q | 27.2 | Very low | 28.6 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 57% | 0.57 | 71% | 0.705 | S | S | * | * | trans | 46.3 | 130.6 | 136.2 | -78.3 | 170.6 | 34.5 | 0 | 0 | 121.8 | ||||
| 959 | Q | 26.9 | Very low | 28.8 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 65% | 0.654 | 71% | 0.706 | S | S | * | * | trans | 74.9 | 155.6 | 131.3 | -67.1 | 171.1 | 17.6 | 0 | 0 | 118.2 | ||||
| 960 | H | 23.8 | Very low | 30.2 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 58% | 0.583 | 71% | 0.707 | S | S | * | * | cis | -150.8 | 163.1 | -8.2 | -116.8 | -41.6 | 0 | 0 | 0 | 109.3 | ||||
| 961 | H | 23.4 | Very low | 30.8 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | trans | 34.8 | 120.5 | 145.3 | -63.5 | -38 | 0 | 0 | 0 | 119.9 | ||||
| 962 | R | 21.2 | Very low | 30.9 | Very low | 221 Ų | 221 | 140 Ų | 140 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | 120.1 | 148.1 | 62.1 | -177.4 | 179.9 | -170 | 164.6 | 2.9 | 107.7 | |||||
| 963 | E | 30.9 | Very low | 30.9 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | -40.7 | 157.5 | 164 | -64.5 | -173.3 | 122.6 | 0 | 0 | 114 | ||||
| 964 | P | 40.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | cis | -158.2 | 167.3 | 45.4 | 44.4 | -22.8 | 0 | 0 | 0 | 121.6 | ||||
| 965 | L | 28.7 | Very low | 33.1 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | 25.3 | 164.8 | 135 | -63.4 | 161.4 | 0 | 0 | 0 | 123.5 | ||||
| 966 | L | 28.1 | Very low | 33.7 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | trans | 94.6 | 142.2 | 158.8 | -49.1 | -179.4 | 0 | 0 | 0 | 115.3 | ||||
| 967 | K | 29.3 | Very low | 35.2 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | cis | -161.2 | 143.8 | 3.7 | -122.5 | 160.2 | -167.9 | 165.6 | 0 | 112.3 | ||||
| 968 | K | 30.8 | Very low | 36.4 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | trans | 47.4 | 126.3 | 136.8 | -70.6 | -177.8 | -176.4 | -175.3 | 0 | 120.7 | ||||
| 969 | K | 31 | Very low | 36.9 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | 70.5 | 158.1 | 73 | -85.6 | -167.1 | 177.3 | -168.8 | 0 | 115 | |||||
| 970 | P | 58.7 | Low | 37.1 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | cis | -127.3 | -158.1 | -19.8 | 41.1 | -21.1 | 0 | 0 | 0 | 111.2 | ||||
| 971 | P | 40.3 | Very low | 37.3 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | -118 | 142.3 | 57.2 | -0.2 | 25.1 | 0 | 0 | 0 | 114.3 | |||||
| 972 | L | 30.6 | Very low | 37.4 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | 92.9 | 76.9 | 87.9 | -69.4 | 177 | 0 | 0 | 0 | 116.8 | |||||
| 973 | Q | 35.9 | Very low | 38.6 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | -29.9 | -178.6 | 123.2 | -110.6 | -176.4 | -8.1 | 0 | 0 | 116.2 | |||||
| 974 | P | 52.7 | Low | 39.3 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | cis | -136.3 | -138 | 6.8 | 39 | -14.6 | 0 | 0 | 0 | 111.5 | ||||
| 975 | P | 48.2 | Very low | 38.7 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -131.5 | -157.3 | -20.9 | 33.9 | -9.8 | 0 | 0 | 0 | 113.3 | ||||
| 976 | P | 47.4 | Very low | 38.5 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | -131.1 | 163.2 | -67.1 | 39.2 | -24.4 | 0 | 0 | 0 | 116 | |||||
| 977 | P | 57.9 | Low | 38.7 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -142.1 | 111.5 | 168.2 | 36.2 | -16.6 | 0 | 0 | 0 | 117.6 | ||||
| 978 | P | 50.4 | Low | 38.7 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -100 | 160.9 | 166.4 | 37.9 | -32.4 | 0 | 0 | 0 | 112.5 | ||||
| 979 | Q | 38.3 | Very low | 39 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | cis | 85.6 | 161.2 | -0.2 | -55.1 | -159 | 2.9 | 0 | 0 | 121 | ||||
| 980 | M | 30.7 | Very low | 38.6 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | trans | 88.1 | 152.6 | 172.4 | -58.5 | -67.7 | 96.8 | 0 | 0 | 117.5 | ||||
| 981 | T | 29.1 | Very low | 38 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | -174.4 | 159.8 | -51.3 | 21.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 982 | G | 24 | Very low | 38.3 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 135 | 167.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 983 | P | 47.9 | Very low | 38.3 | Very low | 125 Ų | 125 | 123 Ų | 123 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -119.4 | -153.7 | -172 | 44.7 | -28 | 0 | 0 | 0 | 111.3 | ||||
| 984 | P | 45.3 | Very low | 38.5 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | cis | -142.5 | -165.4 | -5.4 | 45.6 | -26.1 | 0 | 0 | 0 | 116.7 | ||||
| 985 | I | 27.5 | Very low | 37.7 | Very low | 166 Ų | 166 | 117.8 Ų | 117.8 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | 70.1 | 125.9 | 155 | -65.7 | 165.3 | 0 | 0 | 0 | 121.1 | ||||
| 986 | G | 25.6 | Very low | 37.1 | Very low | 62 Ų | 62 | 120.3 Ų | 120.3 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | 130.5 | 132.7 | 123.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 987 | I | 31 | Very low | 37 | Very low | 176 Ų | 176 | 123 Ų | 123 | 90% | 0.903 | 76% | 0.759 | S | S | * | * | trans | 91.2 | 135.9 | 147.5 | -54.4 | 173.2 | 0 | 0 | 0 | 120.1 | ||||
| 988 | Y | 28.9 | Very low | 36.2 | Very low | 200 Ų | 200 | 123.8 Ų | 123.8 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | -99.6 | -177 | 179.7 | -102.8 | -111.6 | 0 | 0 | 0 | 111.7 | ||||
| 989 | P | 37.1 | Very low | 35.4 | Very low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | cis | -139.5 | -177.5 | 5.4 | 42.5 | -23.9 | 0 | 0 | 0 | 117.6 | ||||
| 990 | G | 23.9 | Very low | 34.7 | Very low | 72 Ų | 72 | 119.7 Ų | 119.7 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 108.8 | 133 | 139.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 991 | P | 45 | Very low | 34.7 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | trans | -117.3 | -156.8 | 168.3 | 44.8 | -33.7 | 0 | 0 | 0 | 111.8 | ||||
| 992 | P | 47.2 | Very low | 34.6 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | cis | -140.1 | -169.3 | -8.2 | 44.2 | -25.1 | 0 | 0 | 0 | 116.9 | ||||
| 993 | A | 29.8 | Very low | 35 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 75.8 | 163.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 994 | P | 41.1 | Very low | 34 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -133.5 | 168.9 | -162.1 | 43 | -26.7 | 0 | 0 | 0 | 119.4 | ||||
| 995 | G | 36.3 | Very low | 33.4 | Very low | 47 Ų | 47 | 124 Ų | 124 | 49% | 0.485 | 78% | 0.784 | S | S | . | * | trans | 145.2 | 129.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | Q1009 | G995-Q1009 PolarHBondContact O-NE2 2.83Š| ||
| 996 | N | 34.1 | Very low | 33.9 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | 81.6 | 157.1 | 151.8 | -72.8 | -5.2 | 0 | 0 | 0 | 125.1 | ||||
| 997 | L | 45.6 | Very low | 34.3 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -109.3 | 161.7 | -169 | -57.7 | 166.4 | 0 | 0 | 0 | 112.6 | ||||
| 998 | P | 40.7 | Very low | 34.3 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | -148.3 | -165.8 | 91 | 40.8 | -22.8 | 0 | 0 | 0 | 113.7 | |||||
| 999 | G | 33.8 | Very low | 34.4 | Very low | 79 Ų | 79 | 132.1 Ų | 132.1 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -127.9 | 152.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1000 | S | 24.1 | Very low | 34.6 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -155 | 164.6 | 157.2 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1001 | S | 30.6 | Very low | 34.6 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -79.5 | 152.4 | 177.7 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1002 | R | 26.5 | Very low | 34.3 | Very low | 236 Ų | 236 | 136.1 Ų | 136.1 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 84.1 | 158.5 | 174.3 | -61.1 | -179.9 | 161.2 | -173.8 | -6.9 | 114.5 | ||
| 1003 | P | 32.3 | Very low | 34 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -92.1 | 171.1 | -152.8 | 36 | -36.5 | 0 | 0 | 0 | 115.2 | ||||
| 1004 | S | 28.3 | Very low | 34.6 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 98.7 | 129.6 | 165 | -159.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1005 | G | 32.9 | Very low | 34.6 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | 104.9 | 94 | 135.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1006 | N | 37.1 | Very low | 35 | Very low | 167 Ų | 167 | 139 Ų | 139 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | 13.6 | 132.6 | 144.7 | -56.9 | -12.4 | 0 | 0 | 0 | 122.1 | ||||
| 1007 | R | 33.7 | Very low | 34.9 | Very low | 256 Ų | 256 | 134.7 Ų | 134.7 | 97% | 0.966 | 78% | 0.777 | S | S | * | * | trans | -160.8 | -176.2 | 158.2 | -124 | 176.2 | -178.9 | -164.5 | -1.7 | 118.2 | ||||
| 1008 | K | 32.2 | Very low | 34.2 | Very low | 202 Ų | 202 | 132.2 Ų | 132.2 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | trans | -128.9 | -178.8 | -170.8 | -53.4 | 178 | -178.2 | -179.3 | 0 | 112.1 | ||||
| 1009 | Q | 30.6 | Very low | 33.6 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | trans | -137.4 | -166.8 | -178 | -50.2 | -174.3 | 19 | 0 | 0 | 111 | G995 | G995-Q1009 PolarHBondContact O-NE2 2.83Š| ||
| 1010 | P | 40.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | -144 | -163.4 | -3.4 | 45 | -24.2 | 0 | 0 | 0 | 117.2 | ||||
| 1011 | L | 23.9 | Very low | 34.1 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | 69.2 | -179.6 | 160.9 | -66 | 170.3 | 0 | 0 | 0 | 119.3 | ||||
| 1012 | P | 38.6 | Very low | 35.4 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | -119.6 | -141.7 | -64.9 | 34.7 | -15.6 | 0 | 0 | 0 | 115.1 | |||||
| 1013 | P | 41.1 | Very low | 36.1 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | -120.4 | -136.7 | -92.9 | 46.8 | -28.9 | 0 | 0 | 0 | 118 | |||||
| 1014 | P | 43.7 | Very low | 36 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | trans | -121.9 | -150.2 | -142.2 | 38.5 | -12.8 | 0 | 0 | 0 | 114.7 | ||||
| 1015 | P | 40.4 | Very low | 36.1 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | cis | -120.5 | -103.6 | -13 | 21.8 | 6.6 | 0 | 0 | 0 | 114.5 | ||||
| 1016 | P | 44.5 | Very low | 35.9 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | cis | -139.5 | 153.1 | -44.6 | 37.6 | -18.1 | 0 | 0 | 0 | 120.1 | ||||
| 1017 | M | 31.3 | Very low | 35.5 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 38% | 0.379 | 73% | 0.734 | S | S | . | * | trans | 68.5 | 157.5 | 146.3 | -56.4 | 161.7 | 42.8 | 0 | 0 | 121.6 | Q1058 V1059 | M1017-Q1058 HydrophobicContact CE-CB 3.66Å; M1017-Q1058 HydrophobicContact SD-CB 4.02Å; M1017-V1059 WeakPolarHBondContact CA-O 3.48Å; M1017-V1059 HydrophobicContact CB-CG1 3.98Å; M1017-V1059 HydrophobicContact CE-CG1 4.42Å; M1017-V1059 HydrophobicContact CG-CB 4.49Å; M1017-V1059 HydrophobicContact CG-CG1 3.82Å; M1017-V1059 WeakPolarHBondContact CG-O 3.26Å | ||
| 1018 | I | 30.8 | Very low | 35.2 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 59% | 0.59 | 72% | 0.721 | S | S | * | * | cis | -156.4 | 137.5 | 31.2 | -76 | -175.2 | 0 | 0 | 0 | 114.8 | V1059 | I1018-V1059 HydrophobicContact CG1-CG1 4.37Š| ||
| 1019 | R | 29.2 | Very low | 35.1 | Very low | 209 Ų | 209 | 128.9 Ų | 128.9 | 79% | 0.789 | 70% | 0.702 | S | S | * | * | trans | 43.9 | 150.7 | 137.9 | -138.4 | 173.4 | -162.6 | 164.2 | 1.9 | 125.8 | ||||
| 1020 | G | 25.2 | Very low | 35.1 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | trans | -96.9 | -147.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1021 | P | 42 | Very low | 34.7 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | cis | -143.8 | -127.2 | 28.3 | 46.9 | -22.2 | 0 | 0 | 0 | 116.4 | ||||
| 1022 | P | 59 | Low | 34.9 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | trans | -116.8 | -168.9 | -151.1 | 43.5 | -23.1 | 0 | 0 | 0 | 116.5 | ||||
| 1023 | P | 39.9 | Very low | 34.3 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | -152.5 | 162.8 | 112.8 | 41.6 | -25.4 | 0 | 0 | 0 | 118.3 | |||||
| 1024 | D | 30.3 | Very low | 33.6 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | trans | 29.6 | 165.9 | 138 | -66.6 | -39.3 | 0 | 0 | 0 | 125.2 | ||||
| 1025 | Q | 31.3 | Very low | 32.8 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | cis | -177.6 | -172.5 | -38.3 | -134.8 | -173.3 | 101.9 | 0 | 0 | 108.7 | ||||
| 1026 | M | 29.5 | Very low | 32.3 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | trans | 75 | 150.2 | 176.7 | -49.1 | -145 | -67.2 | 0 | 0 | 116.2 | ||||
| 1027 | Y | 27.5 | Very low | 31.6 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -117.1 | -126.2 | 5.3 | -170.1 | -113.2 | 0 | 0 | 0 | 114.1 | D1029 | Y1027-D1029 HydrophobicContact CE1-CB 4.44Å; Y1027-D1029 WeakPolarHBondContact CE1-OD2 3.4Å; Y1027-D1029 PolarHBondContact OH-OD2 3.42Å | ||
| 1028 | R | 28.3 | Very low | 31.6 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | trans | -167.9 | -179.7 | -144.8 | -143.4 | -178.3 | 168.1 | -117.6 | 18.7 | 113.4 | ||||
| 1029 | D | 28.9 | Very low | 31.6 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 48% | 0.481 | 79% | 0.789 | S | S | . | * | trans | 69.3 | 122.7 | 156.9 | -56.2 | -30.5 | 0 | 0 | 0 | 119.6 | Y1027 | Y1027-D1029 HydrophobicContact CE1-CB 4.44Å; Y1027-D1029 WeakPolarHBondContact CE1-OD2 3.4Å; Y1027-D1029 PolarHBondContact OH-OD2 3.42Å | ||
| 1030 | R | 30.8 | Very low | 31.5 | Very low | 238 Ų | 238 | 129.5 Ų | 129.5 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | cis | 95.6 | 91 | 1.2 | -156.7 | -165.2 | -165.3 | -131.7 | 5.8 | 119.7 | ||||
| 1031 | S | 31.5 | Very low | 31.6 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | 180 | 149.6 | 149.5 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1032 | G | 28.1 | Very low | 30.8 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | cis | -169.4 | -173 | -3.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1033 | G | 28 | Very low | 30.7 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | cis | 145.8 | 122.4 | -4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1034 | G | 25.4 | Very low | 31.2 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | 150.9 | 120.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1035 | G | 27.1 | Very low | 31 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | cis | -111.7 | -176.8 | -15.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1036 | G | 28.8 | Very low | 30.8 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | cis | 109.6 | 134.3 | 6.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1037 | S | 30.4 | Very low | 30.8 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | -164.4 | 168.5 | -2.9 | -169.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1038 | M | 31.2 | Very low | 30.7 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | trans | 113.5 | 134.7 | 167.2 | -63.3 | -67.7 | -166.6 | 0 | 0 | 115.9 | ||||
| 1039 | R | 30.7 | Very low | 30.7 | Very low | 236 Ų | 236 | 127.9 Ų | 127.9 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | cis | -162.4 | 137.5 | -33.9 | -156.4 | 173.5 | -178.6 | -114 | 2.7 | 110.8 | ||||
| 1040 | G | 28.2 | Very low | 30.6 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 86.4 | 155.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1041 | G | 26.1 | Very low | 30.3 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | cis | -178.2 | 126.5 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1042 | F | 25.2 | Very low | 30.3 | Very low | 207 Ų | 207 | 120.4 Ų | 120.4 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | trans | -103.8 | 171.9 | 171.1 | -89 | -66.2 | 0 | 0 | 0 | 109.6 | ||||
| 1043 | P | 56.8 | Low | 30.3 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | -130.3 | -127.7 | -31.9 | 38.6 | -18.5 | 0 | 0 | 0 | 108.1 | ||||
| 1044 | P | 50.7 | Low | 30.5 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | -114 | 172.4 | -58.1 | 36.6 | -23.1 | 0 | 0 | 0 | 112.8 | |||||
| 1045 | A | 25.8 | Very low | 30.7 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -139.9 | 149.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1046 | S | 27.5 | Very low | 31 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -149.7 | 176.1 | -178.6 | 75.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1047 | H | 29.6 | Very low | 31.2 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 70% | 0.704 | 78% | 0.782 | S | S | * | * | trans | 82.2 | 114.9 | 170.3 | -74.8 | 53.6 | 0 | 0 | 0 | 119.1 | ||||
| 1048 | Y | 24.7 | Very low | 31.3 | Very low | 176 Ų | 176 | 128.6 Ų | 128.6 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | 114.5 | 120.1 | 118.4 | -95.8 | -133.5 | 0 | 0 | 0 | 122.8 | |||||
| 1049 | H | 29.4 | Very low | 31.3 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | 81.6 | 148.4 | 141.2 | -78.6 | -3.5 | 0 | 0 | 0 | 123 | ||||
| 1050 | G | 26.3 | Very low | 31.4 | Very low | 85 Ų | 85 | 115.1 Ų | 115.1 | 88% | 0.876 | 73% | 0.725 | S | S | * | * | trans | 98.6 | 116.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1051 | G | 25.8 | Very low | 31.7 | Very low | 64 Ų | 64 | 116.3 Ų | 116.3 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | cis | 147.4 | 113.2 | -15.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1052 | T | 29.7 | Very low | 31.9 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 92% | 0.92 | 73% | 0.726 | S | S | * | * | trans | 66.5 | 152 | 168.2 | 65.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1053 | S | 29.7 | Very low | 32.2 | Very low | 112 Ų | 112 | 118 Ų | 118 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | cis | -155.9 | 134.3 | -5 | 46.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1054 | G | 31 | Very low | 31 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | 78.1 | 157.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1055 | V | 30.4 | Very low | 30 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | cis | -155.1 | 120.4 | -5.9 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1056 | N | 33.8 | Very low | 30.6 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | trans | 55.4 | 156.2 | 155.1 | -68.7 | -34.1 | 0 | 0 | 0 | 121.5 | ||||
| 1057 | K | 33 | Very low | 31.1 | Very low | 159 Ų | 159 | 124.4 Ų | 124.4 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | cis | -158.1 | 124.1 | -8.8 | -99.4 | 156.7 | -174.9 | -179.3 | 0 | 106 | ||||
| 1058 | Q | 32.6 | Very low | 31.6 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 51% | 0.514 | 74% | 0.738 | S | S | . | * | 66.4 | 148.9 | 84.9 | -65 | 166.2 | -101.3 | 0 | 0 | 117.6 | M1017 | M1017-Q1058 HydrophobicContact CE-CB 3.66Å; M1017-Q1058 HydrophobicContact SD-CB 4.02Å | |||
| 1059 | V | 29.9 | Very low | 31.9 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 44% | 0.442 | 74% | 0.742 | S | S | . | * | cis | -176.6 | 162.8 | -31.3 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | M1017 I1018 | M1017-V1059 WeakPolarHBondContact CA-O 3.48Å; M1017-V1059 HydrophobicContact CB-CG1 3.98Å; M1017-V1059 HydrophobicContact CE-CG1 4.42Å; M1017-V1059 HydrophobicContact CG-CB 4.49Å; M1017-V1059 HydrophobicContact CG-CG1 3.82Å; M1017-V1059 WeakPolarHBondContact CG-O 3.26Å; I1018-V1059 HydrophobicContact CG1-CG1 4.37Å | ||
| 1060 | A | 33.9 | Very low | 31.8 | Very low | 47 Ų | 47 | 119.3 Ų | 119.3 | 39% | 0.388 | 75% | 0.749 | S | S | . | * | trans | 60.8 | 158.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1061 | S | 34.5 | Very low | 32 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | cis | 142.3 | 132.4 | -22.5 | -79.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1062 | Y | 29.8 | Very low | 33.2 | Very low | 237 Ų | 237 | 120.9 Ų | 120.9 | 93% | 0.929 | 74% | 0.744 | S | S | * | * | 175.6 | 179 | 127.1 | -107.9 | -82.7 | 0 | 0 | 0 | 112.4 | |||||
| 1063 | A | 31 | Very low | 33.3 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -156.3 | -171.3 | -159.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1064 | Q | 32.8 | Very low | 33.3 | Very low | 200 Ų | 200 | 120.7 Ų | 120.7 | 94% | 0.935 | 74% | 0.74 | S | S | * | * | trans | 93.2 | 149 | 166.5 | -55.8 | -172 | -7.8 | 0 | 0 | 119.2 | ||||
| 1065 | G | 28.6 | Very low | 33 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | trans | 150.5 | 81.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1066 | L | 39.3 | Very low | 33.1 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | trans | -110.6 | 160.4 | 157 | -70.6 | 174.2 | 0 | 0 | 0 | 108.5 | ||||
| 1067 | P | 38 | Very low | 34.1 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | -148.7 | -150.4 | 103.6 | 46.7 | -28.6 | 0 | 0 | 0 | 112.3 | |||||
| 1068 | P | 40.3 | Very low | 33.8 | Very low | 125 Ų | 125 | 127 Ų | 127 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | -125.8 | 174 | -123.9 | 26.9 | -0.1 | 0 | 0 | 0 | 116.2 | |||||
| 1069 | G | 29.2 | Very low | 33.5 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -92.2 | -164.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1070 | M | 27.9 | Very low | 33.3 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -133.4 | 149.4 | 169.6 | -80.8 | -164.1 | 70 | 0 | 0 | 111.7 | ||||
| 1071 | G | 30 | Very low | 33 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -95 | -171.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1072 | P | 51.3 | Low | 32.6 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -87.5 | -177.4 | -167.8 | 37.6 | -39 | 0 | 0 | 0 | 113.9 | ||||
| 1073 | P | 31.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | -133.5 | 159.6 | 127.7 | 38 | -29.9 | 0 | 0 | 0 | 115 | |||||
| 1074 | V | 31.2 | Very low | 32.2 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -114 | 139.8 | 173.9 | 169.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1075 | V | 24.6 | Very low | 32 | Very low | 141 Ų | 141 | 131 Ų | 131 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -143 | 149.1 | 165.8 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1076 | K | 31.9 | Very low | 32 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -144.4 | 178.1 | 178 | -102.7 | -176.7 | -179.9 | 179.9 | 0 | 106.5 | ||||
| 1077 | P | 55.3 | Low | 31.3 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | cis | -134.5 | -136.7 | -27.1 | 40.7 | -21 | 0 | 0 | 0 | 111.9 | ||||
| 1078 | H | 27 | Very low | 30.6 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | 85.6 | 143.8 | 178.2 | -60.3 | -84.1 | 0 | 0 | 0 | 117.1 | ||||
| 1079 | G | 25.2 | Very low | 30.2 | Very low | 63 Ų | 63 | 142.6 Ų | 142.6 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | cis | 165.7 | 148.7 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1080 | N | 27.1 | Very low | 31.4 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | 66.3 | 170.3 | 171.1 | -65 | -2.9 | 0 | 0 | 0 | 119.6 | ||||
| 1081 | N | 26.6 | Very low | 32 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | cis | -178.3 | 119.1 | -49.7 | -173 | 26.2 | 0 | 0 | 0 | 111 | ||||
| 1082 | Y | 26.8 | Very low | 32.1 | Very low | 221 Ų | 221 | 136.8 Ų | 136.8 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | trans | -161.8 | 128.8 | 162.2 | -81.7 | -75.2 | 0 | 0 | 0 | 106.7 | ||||
| 1083 | Q | 26.1 | Very low | 31.3 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | cis | 101.2 | 131.5 | 20.9 | -161.2 | -174.5 | 39.2 | 0 | 0 | 114 | ||||
| 1084 | A | 26.1 | Very low | 31.2 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | trans | 68.2 | 153.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1085 | S | 28 | Very low | 31.1 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | cis | -174.9 | 167.1 | -9.3 | -106 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1086 | Q | 28.4 | Very low | 31.4 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | cis | 178.8 | 132.6 | -21.5 | -112.4 | -150.3 | 14.2 | 0 | 0 | 106 | ||||
| 1087 | W | 25.4 | Very low | 31.4 | Very low | 228 Ų | 228 | 132.6 Ų | 132.6 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | trans | 60.3 | 167.7 | 161.1 | -55.3 | 58.8 | 0 | 0 | 0 | 116.1 | ||||
| 1088 | V | 24 | Very low | 30.5 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | cis | -142.9 | 176.5 | 22.5 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1089 | R | 31.7 | Very low | 30.7 | Very low | 217 Ų | 217 | 132.2 Ų | 132.2 | 82% | 0.819 | 70% | 0.698 | S | S | * | * | trans | -134.4 | 171.3 | 178.2 | -106.2 | -169.4 | 175.6 | -148.8 | 2.3 | 110.4 | ||||
| 1090 | P | 53 | Low | 31 | Very low | 51 Ų | 51 | 138.5 Ų | 138.5 | 33% | 0.331 | 70% | 0.704 | S | S | . | * | cis | -109.2 | -93.5 | 7.3 | 19.3 | 5 | 0 | 0 | 0 | 115.3 | C508 D509 | C508-P1090 HydrophobicContact CB-CG 4.45Å; C508-P1090 WeakPolarHBondContact SG-CD 3.21Å; C508-P1090 WeakPolarHBondContact SG-CG 3.3Å; D509-P1090 HydrophobicContact CB-CG 4.21Å | ||
| 1091 | P | 40.3 | Very low | 31.2 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 60% | 0.597 | 70% | 0.7 | S | S | * | * | cis | -121.9 | -141 | 3.5 | 44.6 | -27.6 | 0 | 0 | 0 | 114.7 | ||||
| 1092 | T | 32.7 | Very low | 31.3 | Very low | 60 Ų | 60 | 135.7 Ų | 135.7 | 37% | 0.368 | 70% | 0.698 | S | S | . | * | trans | -138.5 | 179.4 | -170.7 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | E507 C508 | E507-T1092 PolarHBondContact O-OG1 2.65Å; C508-T1092 PolarHBondContact N-OG1 2.86Å | ||
| 1093 | H | 33.7 | Very low | 31.5 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 70% | 0.704 | 70% | 0.699 | S | S | * | * | cis | -138.3 | -140.8 | 11.6 | -161.4 | -3.1 | 0 | 0 | 0 | 108.5 | ||||
| 1094 | R | 31.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 62% | 0.619 | 70% | 0.698 | S | S | * | * | cis | -166.7 | 173.2 | -7.7 | -146.4 | 176.3 | 147.8 | 66.7 | 21.3 | 107.2 | ||||
| 1095 | D | 27.6 | Very low | 32.5 | Very low | 109 Ų | 109 | 132 Ų | 132 | 58% | 0.583 | 70% | 0.697 | S | S | * | * | cis | -135.7 | -175.4 | 3.1 | -102.9 | -69.7 | 0 | 0 | 0 | 108.4 | ||||
| 1096 | S | 31.4 | Very low | 32.7 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | cis | 93.4 | 138.1 | 18.9 | -43.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 1097 | S | 32.1 | Very low | 32.7 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | cis | -165.9 | 146.8 | 25.6 | 59.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1098 | H | 35.7 | Very low | 34 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 83% | 0.829 | 70% | 0.703 | S | S | * | * | trans | 57.9 | 161 | 139 | -64.4 | -44.8 | 0 | 0 | 0 | 122.5 | ||||
| 1099 | S | 31.1 | Very low | 34.6 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | cis | -170.5 | 177.5 | 6.2 | -119.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1100 | Y | 31.5 | Very low | 34.5 | Very low | 196 Ų | 196 | 124.7 Ų | 124.7 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | cis | -168.7 | -169.7 | -12.8 | -160.1 | -120.2 | 0 | 0 | 0 | 111.5 | ||||
| 1101 | H | 31.1 | Very low | 34.1 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | 78.7 | 146.7 | 167 | -58.8 | -80.2 | 0 | 0 | 0 | 120.9 | ||||
| 1102 | G | 29.1 | Very low | 33.7 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | cis | 172.2 | 27.5 | -5.9 | 0 | 0 | 0 | 0 | 0 | 126 | ||||
| 1103 | M | 31.7 | Very low | 33.6 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 89% | 0.892 | 77% | 0.773 | S | S | * | * | trans | 65.7 | 175.6 | 163.7 | -73.7 | -70.5 | 101.6 | 0 | 0 | 118.2 | ||||
| 1104 | P | 41.7 | Very low | 33.7 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | cis | -139.7 | 166.9 | 8.8 | 44.4 | -26 | 0 | 0 | 0 | 120.6 | ||||
| 1105 | S | 31.8 | Very low | 33.9 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 26.5 | 131.7 | 140.3 | -169.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1106 | L | 31.5 | Very low | 34.5 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | trans | -153.9 | 164.6 | 131 | -98.8 | -171.3 | 0 | 0 | 0 | 112.1 | ||||
| 1107 | G | 28.7 | Very low | 35.1 | Very low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | -108.9 | -177.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1108 | P | 51.7 | Low | 35.8 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -91.6 | 154.9 | -165.9 | 36.1 | -36.9 | 0 | 0 | 0 | 115.4 | ||||
| 1109 | P | 37.6 | Very low | 36.1 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -148.9 | 148.9 | 131.7 | 36.5 | -19.9 | 0 | 0 | 0 | 117.9 | ||||
| 1110 | Q | 29.9 | Very low | 36.5 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | 66.5 | 158.1 | 145.1 | -69.8 | -171.9 | -0.8 | 0 | 0 | 123.1 | ||||
| 1111 | L | 44.6 | Very low | 37.2 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -104 | 140.6 | -175.9 | -68.1 | 158.9 | 0 | 0 | 0 | 111.4 | ||||
| 1112 | Q | 30.7 | Very low | 37.4 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -138.8 | 170.6 | 151.7 | -75.2 | -159.4 | 1.2 | 0 | 0 | 110.7 | ||||
| 1113 | R | 30.9 | Very low | 37.7 | Very low | 248 Ų | 248 | 143 Ų | 143 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -82.5 | 170.1 | -168.6 | -78.7 | 176.2 | 164.6 | 148.8 | -6.9 | 114 | ||||
| 1114 | E | 35.7 | Very low | 37.8 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -41.1 | 160.3 | 176.3 | -66.1 | 177.9 | 104.2 | 0 | 0 | 116.5 | ||||
| 1115 | P | 35.4 | Very low | 37.5 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | -111 | 146.7 | 108.2 | 32.3 | -35.8 | 0 | 0 | 0 | 113.3 | |||||
| 1116 | P | 41.4 | Very low | 37.9 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 172.2 | -179.7 | 33.4 | -37.4 | 0 | 0 | 0 | 113 | ||
| 1117 | A | 43.6 | Very low | 38 | Very low | 89 Ų | 89 | 141.1 Ų | 141.1 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 146.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1118 | P | 46 | Very low | 38 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 142 | -177.7 | 26.9 | -34.8 | 0 | 0 | 0 | 112.4 | ||
| 1119 | P | 42.6 | Very low | 37.2 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77 | 158.1 | -177 | 32.2 | -36.4 | 0 | 0 | 0 | 112.9 | ||
| 1120 | P | 39.7 | Very low | 37.3 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 150.6 | 169.1 | 30 | -35.3 | 0 | 0 | 0 | 111.4 | ||
| 1121 | P | 46 | Very low | 37.8 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64 | 137.5 | 176.5 | 27 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 1122 | Q | 35 | Very low | 37.2 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 152.7 | -174.8 | -61.5 | -179.2 | 7.1 | 0 | 0 | 112.1 | ||
| 1123 | M | 36 | Very low | 37.1 | Very low | 181 Ų | 181 | 140 Ų | 140 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 153.1 | 174.2 | -67.2 | 166.5 | 55.9 | 0 | 0 | 112.1 | ||
| 1124 | I | 34.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | trans | -117.1 | 142.2 | 163.3 | -66.2 | 178.5 | 0 | 0 | 0 | 108.2 | ||||
| 1125 | P | 33.7 | Very low | 36.6 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -104.8 | 147.8 | -156.5 | 3.9 | 19 | 0 | 0 | 0 | 115.9 | ||||
| 1126 | L | 40.5 | Very low | 36.2 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | 31.5 | 137.1 | 146.2 | -74.8 | 164.9 | 0 | 0 | 0 | 120.9 | ||||
| 1127 | P | 33.3 | Very low | 36.4 | Very low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | -135.8 | 133.1 | 112 | 36.3 | -26.7 | 0 | 0 | 0 | 116.1 | |||||
| 1128 | K | 29.8 | Very low | 35.5 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 61.1 | 113.1 | 137.7 | -61.3 | 177.6 | -179.9 | 178 | 0 | 120.8 | ||||
| 1129 | D | 35.3 | Very low | 35 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -54.5 | 166.5 | 139.8 | -48.5 | -78.9 | 0 | 0 | 0 | 111.2 | ||||
| 1130 | P | 39.7 | Very low | 34.3 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | cis | -136.5 | -157 | 20.5 | 46.3 | -26.4 | 0 | 0 | 0 | 111.7 | ||||
| 1131 | P | 40.8 | Very low | 33.7 | Very low | 112 Ų | 112 | 158.5 Ų | 158.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -136.3 | 167.8 | -2 | 42.5 | -24.7 | 0 | 0 | 0 | 118.7 | ||||
| 1132 | V | 31.2 | Very low | 33 | Very low | 130 Ų | 130 | 155.5 Ų | 155.5 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | -14.5 | 133 | 144.1 | -176.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1133 | L | 29.2 | Very low | 33 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | -173.1 | 138.7 | 128.2 | -89.7 | 158.3 | 0 | 0 | 0 | 106.5 | |||||
| 1134 | R | 26.4 | Very low | 32.7 | Very low | 205 Ų | 205 | 157.3 Ų | 157.3 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | 58.6 | 130.6 | 88 | -120.8 | -166.9 | 174 | 109.3 | -0.2 | 112.2 | |||||
| 1135 | E | 28.2 | Very low | 32.5 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | cis | -139 | -177.1 | 21.6 | -49.4 | -141.1 | 99.2 | 0 | 0 | 114.4 | ||||
| 1136 | H | 27.3 | Very low | 32.3 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -77.3 | 172 | 168.2 | -108.1 | -85.6 | 0 | 0 | 0 | 111.6 | ||||
| 1137 | P | 45.7 | Very low | 32 | Very low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | trans | -83.2 | 161.2 | -155.5 | 34.3 | -38.8 | 0 | 0 | 0 | 114.8 | ||||
| 1138 | R | 25.5 | Very low | 32.3 | Very low | 235 Ų | 235 | 149.4 Ų | 149.4 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | -158 | 148.8 | 148.3 | -118.7 | 167.8 | -171.4 | 163.7 | 2.1 | 113.6 | ||||
| 1139 | E | 35.3 | Very low | 32.8 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -77.1 | 151 | 163.9 | -51.4 | 157.3 | 121.1 | 0 | 0 | 109.9 | ||||
| 1140 | H | 27.7 | Very low | 32.7 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -169.8 | 130.7 | 144.9 | -86.6 | -29.6 | 0 | 0 | 0 | 106.8 | ||||
| 1141 | R | 26.4 | Very low | 32.1 | Very low | 210 Ų | 210 | 145.8 Ų | 145.8 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | 63.4 | 127.4 | 67.3 | -170.4 | -175 | -174.4 | 166.3 | 6.4 | 112.2 | |||||
| 1142 | A | 32.4 | Very low | 32.4 | Very low | 71 Ų | 71 | 146 Ų | 146 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | cis | -175.7 | -165 | -18.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1143 | H | 34.6 | Very low | 32.4 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | 72.5 | 121.5 | 163.7 | -45.9 | -74.8 | 0 | 0 | 0 | 116.4 | ||||
| 1144 | R | 29.8 | Very low | 32.5 | Very low | 252 Ų | 252 | 145.8 Ų | 145.8 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | cis | -125.2 | 152.2 | 48.7 | -60.8 | 171 | 170.5 | -171.9 | -5.9 | 111.5 | ||||
| 1145 | G | 28.8 | Very low | 34 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | cis | 125.2 | 137.7 | 7.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1146 | G | 30.4 | Very low | 34.1 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | -179.9 | -168.2 | 0.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1147 | A | 33.9 | Very low | 34.6 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -166.2 | 165.4 | -4.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1148 | D | 40 | Very low | 33.9 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | cis | -166.9 | 28.5 | -32.9 | -85.9 | -33 | 0 | 0 | 0 | 110 | ||||
| 1149 | D | 40.2 | Very low | 34.2 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -79.4 | 135.3 | -158.5 | -93.9 | -35.4 | 0 | 0 | 0 | 119.5 | ||||
| 1150 | D | 33.2 | Very low | 34.1 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | 66.9 | 138.1 | 162.4 | -81.3 | -38.7 | 0 | 0 | 0 | 123.9 | ||||
| 1151 | G | 27 | Very low | 34.2 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | trans | -135.1 | -137.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1152 | P | 48.3 | Very low | 34.6 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -139.9 | -175.6 | 1.9 | 43.6 | -25.4 | 0 | 0 | 0 | 117.1 | ||||
| 1153 | D | 29.9 | Very low | 34.7 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | 88.9 | 161 | 146.8 | -87.2 | -46.6 | 0 | 0 | 0 | 125.2 | ||||
| 1154 | S | 32.2 | Very low | 34.9 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -149.8 | -151.4 | -156.7 | -148.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1155 | P | 56.3 | Low | 35.2 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | cis | -138.2 | -150.1 | -12.1 | 32.3 | -5.2 | 0 | 0 | 0 | 114.4 | ||||
| 1156 | E | 32.3 | Very low | 35.5 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | 80.1 | 148.2 | 159.9 | -71.6 | -175.1 | 179.7 | 0 | 0 | 120.9 | ||||
| 1157 | E | 37.1 | Very low | 35.7 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | cis | -165.8 | 177.5 | -34.8 | -138.1 | -164.2 | -158.6 | 0 | 0 | 110.7 | ||||
| 1158 | G | 31.3 | Very low | 35.8 | Very low | 72 Ų | 72 | 149.8 Ų | 149.8 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | 126.1 | 120 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1159 | T | 31.9 | Very low | 35.6 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -119.3 | 162.5 | 176.8 | 38.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1160 | L | 32 | Very low | 35.3 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | trans | -169.8 | 175.7 | 131.7 | -105.2 | 167.3 | 0 | 0 | 0 | 114.1 | ||||
| 1161 | R | 31 | Very low | 35.4 | Very low | 227 Ų | 227 | 148.8 Ų | 148.8 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -122.8 | 165.2 | -179.9 | -71.5 | 175.6 | 159.3 | 116.2 | -8.9 | 110.4 | ||||
| 1162 | I | 33.4 | Very low | 36.1 | Very low | 144 Ų | 144 | 154.8 Ų | 154.8 | 74% | 0.738 | 83% | 0.832 | S | S | * | * | 167.1 | 134.8 | 118.3 | -87 | 158.4 | 0 | 0 | 0 | 112.8 | |||||
| 1163 | D | 34.9 | Very low | 35.1 | Very low | 134 Ų | 134 | 157.7 Ų | 157.7 | 72% | 0.717 | 84% | 0.837 | S | S | * | * | trans | 14.5 | 158.3 | 149.2 | -41.3 | -31.1 | 0 | 0 | 0 | 125.3 | ||||
| 1164 | D | 38.2 | Very low | 35.5 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | trans | 55.5 | 105.2 | 153.3 | -62.1 | -12.1 | 0 | 0 | 0 | 123 | ||||
| 1165 | E | 35.9 | Very low | 35.8 | Very low | 277 Ų | 277 | 162.3 Ų | 162.3 | 100% | 1.294 | 85% | 0.845 | S | S | * | * | -159.8 | 0 | 103.6 | -102.7 | -166.9 | 156.3 | 0 | 0 | 112.3 |
Retrieved 1,165 of 1,165 residues in 190.4 ms
(Link to these results)