| 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 | 46.1 | Very low | 81.5 | Confident | 233 Ų | 233 | 69.1 Ų | 69.1 | 100% | 1.148 | 41% | 0.406 | S | S | * | . | 0 | 152.3 | 0 | -62.9 | -49.9 | -171.1 | 0 | 0 | 107.6 | |||||
| 2 | A | 68 | Low | 82.7 | Confident | 99 Ų | 99 | 63.4 Ų | 63.4 | 82% | 0.818 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 141.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 3 | D | 68.6 | Low | 83.7 | Confident | 148 Ų | 148 | 67.2 Ų | 67.2 | 79% | 0.791 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 148 | 175.7 | -61.3 | -55.2 | 0 | 0 | 0 | 110.5 | ||
| 4 | P | 75.4 | Confident | 84.4 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 34% | 0.338 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 138.5 | -178.9 | 25.6 | -33.6 | 0 | 0 | 0 | 110.7 | A114 | P4-A114 HydrophobicContact CG-CB 4.28Š|
| 5 | P | 79 | Confident | 85 | Confident | 78 Ų | 78 | 68.7 Ų | 68.7 | 51% | 0.506 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 126.6 | -179 | 23.6 | -32.9 | 0 | 0 | 0 | 110.3 | V7 A26 | P5-V7 PolarHBondContact O-N 2.99Å; P5-A26 HydrophobicContact CB-CB 3.96Å |
| 6 | P | 87.6 | Confident | 85.5 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 13% | 0.13 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -60 | 132.8 | -178.9 | 20.1 | -30.4 | 0 | 0 | 0 | 110.9 | A26 F58 W66 I110 T112 | P6-A26 HydrophobicContact CG-CB 3.88Å; P6-A26 VanDerWaalsContact O-CB 3.31Å; P6-A26 WeakPolarHBondContact O-CB 3.25Å; P6-A26 PolarHBondContact O-N 2.93Å; P6-A26 VanDerWaalsContact O-N 3.1Å; P6-F58 HydrophobicContact CG-CD2 4.15Å; P6-F58 HydrophobicContact CG-CE2 3.33Å; P6-F58 HydrophobicContact CG-CZ 3.77Å; P6-W66 WeakPolarHBondContact O-CZ2 3.47Å; P6-W66 PolarHBondContact O-NE1 3.5Å; P6-I110 HydrophobicContact CB-CG2 3.99Å; P6-T112 HydrophobicContact CB-CG2 3.75Å |
| 7 | V | 91.8 | Very high | 85.8 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 18% | 0.176 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.6 | -179.8 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | P5 Q23 S111 | P5-V7 PolarHBondContact O-N 2.99Å; V7-Q23 HydrophobicContact CG1-CG 3.41Å; V7-Q23 VanDerWaalsContact CG1-CG 3.41Å; V7-S111 PolarHBondContact N-O 3.08Å; V7-S111 PolarHBondContact O-N 3.46Å; V7-S111 PolarHBondContact O-OG 3.34Å |
| 8 | L | 94.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 137.7 | 173.9 | 173 | 70 | 0 | 0 | 0 | 109.9 | L10 Q23 R24 L31 V56 W66 V108 S109 I110 | L8-L10 HydrophobicContact CD1-CD2 3.93Å; L8-L10 HydrophobicContact CD1-CG 4.47Å; L8-L10 HydrophobicContact CD2-CD2 4.35Å; L8-L10 HydrophobicContact CD2-CG 4.25Å; L8-L10 HydrophobicContact CG-CD2 4.27Å; L8-L10 HydrophobicContact CG-CG 4.28Å; L8-Q23 CarbonylContact O-C 3.53Å; L8-Q23 VanDerWaalsContact O-CA 3.29Å; L8-Q23 WeakPolarHBondContact O-CA 3.4Å; L8-Q23 WeakPolarHBondContact O-CG 3.34Å; L8-R24 PolarHBondContact N-O 3.1Å; L8-R24 PolarHBondContact O-N 3.3Å; L8-L31 HydrophobicContact CD2-CD2 4.26Å; L8-V56 HydrophobicContact CD2-CB 4.3Å; L8-V56 HydrophobicContact CD2-CG1 3.53Å; L8-W66 HydrophobicContact CB-CD2 3.81Å; L8-W66 VanDerWaalsContact CB-CE2 3.49Å; L8-W66 HydrophobicContact CB-CE3 4.21Å; L8-W66 HydrophobicContact CB-CG 4.36Å; L8-W66 HydrophobicContact CB-CH2 4.04Å; L8-W66 HydrophobicContact CB-CZ2 3.6Å; L8-W66 HydrophobicContact CB-CZ3 4.32Å; L8-W66 HydrophobicContact CD2-CD2 4.03Å; L8-W66 HydrophobicContact CD2-CE3 3.74Å; L8-W66 HydrophobicContact CD2-CH2 4.46Å; L8-W66 HydrophobicContact CD2-CZ3 3.97Å; L8-W66 HydrophobicContact CG-CD2 4.42Å; L8-V108 HydrophobicContact CD1-CG1 3.74Å; L8-S109 CarbonylContact C-O 3.52Å; L8-I110 HydrophobicContact CD1-CG1 4.02Å |
| 9 | T | 95.1 | Very high | 86.5 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 18% | 0.184 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.3 | 167.5 | -51.5 | 0 | 0 | 0 | 0 | 108.8 | T21 L22 S109 | T9-T21 HydrophobicContact CG2-CG2 3.69Å; T9-L22 CarbonylContact C-O 3.52Å; T9-L22 WeakPolarHBondContact CA-O 3.45Å; T9-S109 PolarHBondContact N-O 2.71Å; T9-S109 PolarHBondContact O-N 2.98Å |
| 10 | L | 95.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121 | 173.1 | -62.3 | -176.3 | 0 | 0 | 0 | 109.4 | L8 T21 L22 L31 V33 L42 V56 A107 V108 | L8-L10 HydrophobicContact CD1-CD2 3.93Å; L8-L10 HydrophobicContact CD1-CG 4.47Å; L8-L10 HydrophobicContact CD2-CD2 4.35Å; L8-L10 HydrophobicContact CD2-CG 4.25Å; L8-L10 HydrophobicContact CG-CD2 4.27Å; L8-L10 HydrophobicContact CG-CG 4.28Å; L10-T21 WeakPolarHBondContact O-CA 3.33Å; L10-L22 PolarHBondContact N-O 2.72Å; L10-L22 PolarHBondContact O-N 3.41Å; L10-L31 HydrophobicContact CD1-CD2 3.7Å; L10-L31 HydrophobicContact CG-CD2 4.39Å; L10-V33 HydrophobicContact CD1-CG2 4.31Å; L10-L42 HydrophobicContact CB-CD2 4.38Å; L10-L42 HydrophobicContact CD1-CD2 4.44Å; L10-V56 HydrophobicContact CD1-CG2 4.42Å; L10-A107 WeakPolarHBondContact CA-O 3.41Å; L10-V108 HydrophobicContact CD2-CB 4.44Å; L10-V108 HydrophobicContact CD2-CG2 3.84Å |
| 11 | L | 95.5 | Very high | 87.1 | Confident | 71 Ų | 71 | 71.3 Ų | 71.3 | 37% | 0.372 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.7 | 178.3 | 169 | 65 | 0 | 0 | 0 | 110.5 | K13 T21 L106 A107 | L11-K13 PolarHBondContact O-N 2.93Å; L11-T21 VanDerWaalsContact CD1-OG1 3.23Å; L11-T21 WeakPolarHBondContact CD1-OG1 3.15Å; L11-L106 CarbonylContact O-C 3.57Å; L11-L106 WeakPolarHBondContact O-CA 3.29Å; L11-A107 PolarHBondContact N-O 2.89Å; L11-A107 PolarHBondContact O-N 2.74Å |
| 12 | V | 96.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 95.2 | 174.4 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | K14 C17 K18 G19 N20 L42 T104 L106 | V12-K14 VanDerWaalsContact CG1-O 3.27Å; V12-K14 WeakPolarHBondContact CG1-O 3.29Å; V12-C17 WeakPolarHBondContact CB-O 3.33Å; V12-C17 WeakPolarHBondContact CG1-O 3.38Å; V12-K18 CarbonylContact O-C 3.48Å; V12-K18 WeakPolarHBondContact O-CA 3.31Å; V12-G19 PolarHBondContact O-N 3.36Å; V12-N20 HydrophobicContact CB-CB 4.45Å; V12-N20 HydrophobicContact CG2-CB 3.96Å; V12-N20 WeakPolarHBondContact CG2-O 3.37Å; V12-N20 PolarHBondContact N-O 3.03Å; V12-L42 HydrophobicContact CG2-CD1 4.36Å; V12-L42 HydrophobicContact CG2-CD2 4.41Å; V12-T104 HydrophobicContact CG1-CG2 4.16Å; V12-L106 HydrophobicContact CB-CD2 4.33Å; V12-L106 HydrophobicContact CG1-CD2 4.4Å; V12-L106 HydrophobicContact CG2-CD2 3.76Å |
| 13 | K | 94.8 | Very high | 90.6 | Very high | 113 Ų | 113 | 63.5 Ų | 63.5 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -33.1 | -175.3 | -173.6 | 174.6 | -178.8 | 175.7 | 0 | 113.1 | L11 K18 L97 V105 A107 | L11-K13 PolarHBondContact O-N 2.93Å; K13-K18 WeakPolarHBondContact O-CE 3.29Å; K13-L97 HydrophobicContact CD-CD2 4.28Å; K13-V105 WeakPolarHBondContact CA-O 3.49Å; K13-V105 WeakPolarHBondContact CB-O 3.29Å; K13-V105 PolarHBondContact N-O 2.95Å; K13-A107 HydrophobicContact CB-CB 4.44Å; K13-A107 HydrophobicContact CD-CB 4.28Å |
| 14 | K | 94.6 | Very high | 91.7 | Very high | 136 Ų | 136 | 58.4 Ų | 58.4 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 161.4 | 170.8 | -65.2 | -172.9 | 177.2 | -175.8 | 0 | 109.3 | V12 T104 V105 | V12-K14 VanDerWaalsContact CG1-O 3.27Å; V12-K14 WeakPolarHBondContact CG1-O 3.29Å; K14-T104 VanDerWaalsContact O-CA 3.32Å; K14-T104 WeakPolarHBondContact O-CA 3.39Å; K14-T104 WeakPolarHBondContact O-CG2 3.46Å; K14-V105 HydrophobicContact CB-CB 4.11Å; K14-V105 HydrophobicContact CB-CG2 4.17Å; K14-V105 HydrophobicContact CD-CG2 4.32Å; K14-V105 PolarHBondContact N-O 2.78Å; K14-V105 VanDerWaalsContact N-O 3.14Å; K14-V105 PolarHBondContact O-N 2.95Å |
| 15 | G | 93.3 | Very high | 92.3 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 115.6 | 174.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | C17 K18 T104 | G15-C17 PolarHBondContact O-N 3.14Å; G15-K18 WeakPolarHBondContact O-CB 3.4Å; G15-K18 PolarHBondContact O-N 3.42Å; G15-T104 WeakPolarHBondContact CA-OG1 3.45Å |
| 16 | P | 92.4 | Very high | 92.6 | Very high | 83 Ų | 83 | 55.9 Ų | 55.9 | 54% | 0.539 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -39.8 | -177.8 | -25.1 | 36.9 | 0 | 0 | 0 | 113.2 | K18 D46 | P16-K18 VanDerWaalsContact C-N 3.26Å; P16-K18 PolarHBondContact O-N 3.04Å; P16-D46 HydrophobicContact CG-CB 4.4Å |
| 17 | C | 91 | Very high | 92.2 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 33.2 | 177.1 | -64.2 | 0 | 0 | 0 | 0 | 113.6 | V12 G15 G19 N20 V44 | V12-C17 WeakPolarHBondContact CB-O 3.33Å; V12-C17 WeakPolarHBondContact CG1-O 3.38Å; G15-C17 PolarHBondContact O-N 3.14Å; C17-G19 PolarHBondContact O-N 3.37Å; C17-N20 HydrophobicContact CB-CB 4.4Å; C17-N20 VanDerWaalsContact O-CB 3.23Å; C17-N20 WeakPolarHBondContact O-CB 3.45Å; C17-N20 PolarHBondContact O-N 2.92Å; C17-N20 VanDerWaalsContact O-N 3.11Å; C17-V44 VanDerWaalsContact SG-C 3.57Å; C17-V44 PolarHBondContact SG-O 2.86Å; C17-V44 VanDerWaalsContact SG-O 3.37Å |
| 18 | K | 92.2 | Very high | 91.7 | Very high | 156 Ų | 156 | 60.3 Ų | 60.3 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 133.4 | 179.5 | -178.9 | -175.6 | 175 | -167.1 | 0 | 111.9 | V12 K13 G15 P16 N20 | V12-K18 CarbonylContact O-C 3.48Å; V12-K18 WeakPolarHBondContact O-CA 3.31Å; K13-K18 WeakPolarHBondContact O-CE 3.29Å; G15-K18 WeakPolarHBondContact O-CB 3.4Å; G15-K18 PolarHBondContact O-N 3.42Å; P16-K18 VanDerWaalsContact C-N 3.26Å; P16-K18 PolarHBondContact O-N 3.04Å; K18-N20 VanDerWaalsContact C-N 3.35Å |
| 19 | G | 92 | Very high | 91.3 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -14.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V12 C17 T21 | V12-G19 PolarHBondContact O-N 3.36Å; C17-G19 PolarHBondContact O-N 3.37Å; G19-T21 PolarHBondContact O-N 2.91Å; G19-T21 PolarHBondContact O-OG1 3.36Å |
| 20 | N | 93.3 | Very high | 91.1 | Very high | 65 Ų | 65 | 67.9 Ų | 67.9 | 35% | 0.348 | 39% | 0.388 | S | S | . | . | trans | -60.7 | 136.7 | 170.6 | -165.6 | 10.3 | 0 | 0 | 0 | 109.7 | V12 C17 K18 L42 | V12-N20 HydrophobicContact CB-CB 4.45Å; V12-N20 HydrophobicContact CG2-CB 3.96Å; V12-N20 WeakPolarHBondContact CG2-O 3.37Å; V12-N20 PolarHBondContact N-O 3.03Å; C17-N20 HydrophobicContact CB-CB 4.4Å; C17-N20 VanDerWaalsContact O-CB 3.23Å; C17-N20 WeakPolarHBondContact O-CB 3.45Å; C17-N20 PolarHBondContact O-N 2.92Å; C17-N20 VanDerWaalsContact O-N 3.11Å; K18-N20 VanDerWaalsContact C-N 3.35Å; N20-L42 WeakPolarHBondContact ND2-CD1 3.23Å | ||
| 21 | T | 93.1 | Very high | 91 | Very high | 76 Ų | 76 | 67.9 Ų | 67.9 | 47% | 0.466 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.7 | -172.9 | -53 | 0 | 0 | 0 | 0 | 109.5 | T9 L10 L11 G19 | T9-T21 HydrophobicContact CG2-CG2 3.69Å; L10-T21 WeakPolarHBondContact O-CA 3.33Å; L11-T21 VanDerWaalsContact CD1-OG1 3.23Å; L11-T21 WeakPolarHBondContact CD1-OG1 3.15Å; G19-T21 PolarHBondContact O-N 2.91Å; G19-T21 PolarHBondContact O-OG1 3.36Å |
| 22 | L | 93.2 | Very high | 91 | Very high | 43 Ų | 43 | 69.5 Ų | 69.5 | 23% | 0.225 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.5 | -178.1 | -176 | 60.8 | 0 | 0 | 0 | 111 | T9 L10 L31 D41 L42 | T9-L22 CarbonylContact C-O 3.52Å; T9-L22 WeakPolarHBondContact CA-O 3.45Å; L10-L22 PolarHBondContact N-O 2.72Å; L10-L22 PolarHBondContact O-N 3.41Å; L22-L31 HydrophobicContact CD2-CD1 3.74Å; L22-L31 HydrophobicContact CD2-CD2 4.19Å; L22-L31 HydrophobicContact CD2-CG 4.17Å; L22-L31 HydrophobicContact CG-CD1 4.25Å; L22-D41 VanDerWaalsContact CD2-C 3.5Å; L22-D41 HydrophobicContact CD2-CB 3.74Å; L22-D41 WeakPolarHBondContact CD2-O 3.46Å; L22-L42 HydrophobicContact CB-CD1 4.2Å; L22-L42 HydrophobicContact CD2-CB 3.73Å; L22-L42 HydrophobicContact CD2-CD1 4.43Å |
| 23 | Q | 93 | Very high | 91 | Very high | 125 Ų | 125 | 69.4 Ų | 69.4 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 140.5 | -176.2 | -164.7 | 176.5 | 33.9 | 0 | 0 | 110.6 | V7 L8 | V7-Q23 HydrophobicContact CG1-CG 3.41Å; V7-Q23 VanDerWaalsContact CG1-CG 3.41Å; L8-Q23 CarbonylContact O-C 3.53Å; L8-Q23 VanDerWaalsContact O-CA 3.29Å; L8-Q23 WeakPolarHBondContact O-CA 3.4Å; L8-Q23 WeakPolarHBondContact O-CG 3.34Å |
| 24 | R | 92.3 | Very high | 91.1 | Very high | 41 Ų | 41 | 64 Ų | 64 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 130.8 | 179.6 | -162.4 | 65.3 | 153.8 | -147.4 | -3 | 110.5 | L8 E29 L31 D41 W66 | L8-R24 PolarHBondContact N-O 3.1Å; L8-R24 PolarHBondContact O-N 3.3Å; R24-E29 PolarHBondContact NE-O 3.4Å; R24-E29 PolarHBondContact NH2-O 2.82Å; R24-L31 HydrophobicContact CB-CD1 4.09Å; R24-L31 HydrophobicContact CB-CD2 4.3Å; R24-L31 HydrophobicContact CG-CB 4.48Å; R24-L31 HydrophobicContact CG-CD1 4.02Å; R24-D41 IonicContact CZ-OD1 3.64Å; R24-D41 IonicContact NH1-OD1 2.97Å; R24-D41 PolarHBondContact NH1-OD1 2.87Å; R24-D41 IonicContact NH2-OD1 3.6Å; R24-W66 HydrophobicContact CB-CH2 3.97Å; R24-W66 HydrophobicContact CG-CH2 3.86Å; R24-W66 HydrophobicContact CG-CZ3 4.3Å; R24-W66 WeakPolarHBondContact O-CZ2 3.47Å |
| 25 | C | 89.1 | Confident | 91.1 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 42% | 0.419 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 143.1 | 174.5 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | T28 | C25-T28 WeakPolarHBondContact O-CB 3.39Å; C25-T28 PolarHBondContact O-N 2.84Å; C25-T28 PolarHBondContact O-OG1 2.77Å |
| 26 | A | 85.3 | Confident | 91.2 | Very high | 15 Ų | 15 | 64 Ų | 64 | 12% | 0.124 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 142.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | P5 P6 F58 W66 | P5-A26 HydrophobicContact CB-CB 3.96Å; P6-A26 HydrophobicContact CG-CB 3.88Å; P6-A26 VanDerWaalsContact O-CB 3.31Å; P6-A26 WeakPolarHBondContact O-CB 3.25Å; P6-A26 PolarHBondContact O-N 2.93Å; P6-A26 VanDerWaalsContact O-N 3.1Å; A26-F58 HydrophobicContact CB-CB 4.15Å; A26-F58 HydrophobicContact CB-CD1 3.57Å; A26-F58 HydrophobicContact CB-CD2 3.56Å; A26-F58 HydrophobicContact CB-CE1 3.74Å; A26-F58 HydrophobicContact CB-CE2 3.76Å; A26-F58 HydrophobicContact CB-CG 3.45Å; A26-F58 VanDerWaalsContact CB-CG 3.45Å; A26-F58 HydrophobicContact CB-CZ 3.82Å; A26-W66 HydrophobicContact CB-CZ2 4.03Å |
| 27 | G | 79 | Confident | 91.2 | Very high | 74 Ų | 74 | 63.1 Ų | 63.1 | 76% | 0.763 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -1.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 28 | T | 79.9 | Confident | 91.2 | Very high | 69 Ų | 69 | 70.7 Ų | 70.7 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -86.7 | 160.6 | 167.9 | -33.1 | 0 | 0 | 0 | 0 | 110.4 | C25 | C25-T28 WeakPolarHBondContact O-CB 3.39Å; C25-T28 PolarHBondContact O-N 2.84Å; C25-T28 PolarHBondContact O-OG1 2.77Å |
| 29 | E | 86.1 | Confident | 91.1 | Very high | 151 Ų | 151 | 65.4 Ų | 65.4 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -50.4 | 154.7 | 173.3 | -62.4 | 179.2 | 177.8 | 0 | 0 | 113.3 | R24 L31 | R24-E29 PolarHBondContact NE-O 3.4Å; R24-E29 PolarHBondContact NH2-O 2.82Å; E29-L31 PolarHBondContact O-N 3.05Å |
| 30 | A | 91.2 | Very high | 91.2 | Very high | 37 Ų | 37 | 64 Ų | 64 | 31% | 0.306 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 130.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E57 | A30-E57 HydrophobicContact CB-CB 3.91Š|
| 31 | L | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 117.1 | -178.2 | -165.9 | 76.3 | 0 | 0 | 0 | 109.9 | L8 L10 L22 R24 E29 D41 S55 V56 | L8-L31 HydrophobicContact CD2-CD2 4.26Å; L10-L31 HydrophobicContact CD1-CD2 3.7Å; L10-L31 HydrophobicContact CG-CD2 4.39Å; L22-L31 HydrophobicContact CD2-CD1 3.74Å; L22-L31 HydrophobicContact CD2-CD2 4.19Å; L22-L31 HydrophobicContact CD2-CG 4.17Å; L22-L31 HydrophobicContact CG-CD1 4.25Å; R24-L31 HydrophobicContact CB-CD1 4.09Å; R24-L31 HydrophobicContact CB-CD2 4.3Å; R24-L31 HydrophobicContact CG-CB 4.48Å; R24-L31 HydrophobicContact CG-CD1 4.02Å; E29-L31 PolarHBondContact O-N 3.05Å; L31-D41 HydrophobicContact CD1-CB 3.59Å; L31-D41 HydrophobicContact CG-CB 4.2Å; L31-S55 CarbonylContact O-C 3.57Å; L31-S55 WeakPolarHBondContact O-CA 3.36Å; L31-V56 HydrophobicContact CB-CB 4.36Å; L31-V56 WeakPolarHBondContact CB-O 3.42Å; L31-V56 PolarHBondContact N-O 3.17Å; L31-V56 PolarHBondContact O-N 3.45Å |
| 32 | R | 95.5 | Very high | 91.3 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.3 | -178 | -72.3 | 175.3 | -68.6 | -152.2 | -4.2 | 112 | G39 N40 D41 L42 | R32-G39 PolarHBondContact NE-O 2.96Å; R32-N40 HydrophobicContact CB-CB 4.36Å; R32-D41 PolarHBondContact N-OD2 3.16Å; R32-D41 PolarHBondContact O-N 3.29Å; R32-L42 PolarHBondContact O-N 3.49Å |
| 33 | V | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.5 | 179.9 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | L10 L42 V44 H53 L54 I100 L106 | L10-V33 HydrophobicContact CD1-CG2 4.31Å; V33-L42 WeakPolarHBondContact CA-O 3.34Å; V33-L42 HydrophobicContact CB-CB 4.42Å; V33-L42 HydrophobicContact CG1-CB 4.13Å; V33-L42 HydrophobicContact CG1-CD2 3.99Å; V33-L42 HydrophobicContact CG1-CG 4.22Å; V33-L42 HydrophobicContact CG2-CB 4.05Å; V33-L42 HydrophobicContact CG2-CD2 4.26Å; V33-V44 HydrophobicContact CG1-CG2 3.7Å; V33-H53 WeakPolarHBondContact O-CB 3.39Å; V33-H53 PolarHBondContact O-N 2.89Å; V33-L54 HydrophobicContact CB-CD1 3.64Å; V33-L54 HydrophobicContact CB-CG 4.07Å; V33-L54 HydrophobicContact CG2-CD1 3.54Å; V33-L54 HydrophobicContact CG2-CG 4.5Å; V33-L54 PolarHBondContact N-O 2.93Å; V33-L54 PolarHBondContact O-N 2.79Å; V33-I100 HydrophobicContact CG1-CD1 3.94Å; V33-L106 HydrophobicContact CG1-CD1 4.2Å |
| 34 | G | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | -178.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | V36 L42 S43 V44 Q51 | G34-V36 VanDerWaalsContact C-N 3.33Å; G34-V36 PolarHBondContact O-N 3.44Å; G34-L42 PolarHBondContact N-O 3.04Å; G34-L42 VanDerWaalsContact N-O 3.15Å; G34-S43 WeakPolarHBondContact O-CA 3.45Å; G34-V44 PolarHBondContact O-N 3.45Å; G34-Q51 WeakPolarHBondContact CA-O 3.48Å |
| 35 | R | 95.6 | Very high | 91.4 | Very high | 100 Ų | 100 | 53.8 Ų | 53.8 | 38% | 0.377 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -63.1 | -36.8 | -176.4 | -175.1 | 169.6 | 71.5 | -159.6 | 4.2 | 113.4 | G45 D46 A47 A49 S50 Q51 | R35-G45 PolarHBondContact O-N 3.02Å; R35-D46 WeakPolarHBondContact CD-O 3.46Å; R35-D46 VanDerWaalsContact CG-O 3.29Å; R35-D46 WeakPolarHBondContact CG-O 3.3Å; R35-A47 PolarHBondContact NH1-O 2.96Å; R35-A49 HydrophobicContact CB-CB 4.1Å; R35-A49 VanDerWaalsContact CB-O 3.29Å; R35-A49 WeakPolarHBondContact CB-O 3.36Å; R35-A49 VanDerWaalsContact CD-O 3.3Å; R35-A49 WeakPolarHBondContact CD-O 3.27Å; R35-A49 PolarHBondContact NH1-O 2.79Å; R35-S50 PolarHBondContact N-O 3.24Å; R35-Q51 PolarHBondContact N-O 3.5Å |
| 36 | V | 94.2 | Very high | 91.7 | Very high | 54 Ų | 54 | 51 Ų | 51 | 33% | 0.327 | 30% | 0.304 | S | S | . | . | trans | -107.9 | 144.8 | -169.3 | -168.4 | 0 | 0 | 0 | 0 | 110.6 | G34 K38 N40 Q51 | G34-V36 VanDerWaalsContact C-N 3.33Å; G34-V36 PolarHBondContact O-N 3.44Å; V36-K38 HydrophobicContact CG1-CB 4.23Å; V36-N40 PolarHBondContact O-ND2 3.19Å; V36-Q51 HydrophobicContact CG2-CB 4.3Å; V36-Q51 HydrophobicContact CG2-CG 4.15Å | ||
| 37 | A | 92.4 | Very high | 92.1 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -76.8 | -20.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G39 | A37-G39 PolarHBondContact O-N 2.9Š|
| 38 | K | 92.4 | Very high | 92.8 | Very high | 199 Ų | 199 | 50.5 Ų | 50.5 | 87% | 0.865 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 97.8 | -179.1 | -171.3 | -174.6 | 179.3 | -171.4 | 0 | 110.4 | V36 | V36-K38 HydrophobicContact CG1-CB 4.23Š|
| 39 | G | 89.9 | Confident | 93.5 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 45% | 0.454 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R32 A37 | R32-G39 PolarHBondContact NE-O 2.96Å; A37-G39 PolarHBondContact O-N 2.9Å |
| 40 | N | 93.8 | Very high | 94 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -117.8 | 145.7 | 170.2 | -62.7 | -47.7 | 0 | 0 | 0 | 109.5 | R32 V36 Q51 | R32-N40 HydrophobicContact CB-CB 4.36Å; V36-N40 PolarHBondContact O-ND2 3.19Å; N40-Q51 PolarHBondContact ND2-O 3.25Å | ||
| 41 | D | 93.6 | Very high | 94.1 | Very high | 59 Ų | 59 | 45 Ų | 45 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -75.5 | -33.2 | 174.9 | -49.8 | -112.4 | 0 | 0 | 0 | 111.2 | L22 R24 L31 R32 | L22-D41 VanDerWaalsContact CD2-C 3.5Å; L22-D41 HydrophobicContact CD2-CB 3.74Å; L22-D41 WeakPolarHBondContact CD2-O 3.46Å; R24-D41 IonicContact CZ-OD1 3.64Å; R24-D41 IonicContact NH1-OD1 2.97Å; R24-D41 PolarHBondContact NH1-OD1 2.87Å; R24-D41 IonicContact NH2-OD1 3.6Å; L31-D41 HydrophobicContact CD1-CB 3.59Å; L31-D41 HydrophobicContact CG-CB 4.2Å; R32-D41 PolarHBondContact N-OD2 3.16Å; R32-D41 PolarHBondContact O-N 3.29Å |
| 42 | L | 94 | Very high | 94.2 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.3 | 175 | -172.7 | 62.4 | 0 | 0 | 0 | 111.7 | L10 V12 N20 L22 R32 V33 G34 V44 L106 | L10-L42 HydrophobicContact CB-CD2 4.38Å; L10-L42 HydrophobicContact CD1-CD2 4.44Å; V12-L42 HydrophobicContact CG2-CD1 4.36Å; V12-L42 HydrophobicContact CG2-CD2 4.41Å; N20-L42 WeakPolarHBondContact ND2-CD1 3.23Å; L22-L42 HydrophobicContact CB-CD1 4.2Å; L22-L42 HydrophobicContact CD2-CB 3.73Å; L22-L42 HydrophobicContact CD2-CD1 4.43Å; R32-L42 PolarHBondContact O-N 3.49Å; V33-L42 WeakPolarHBondContact CA-O 3.34Å; V33-L42 HydrophobicContact CB-CB 4.42Å; V33-L42 HydrophobicContact CG1-CB 4.13Å; V33-L42 HydrophobicContact CG1-CD2 3.99Å; V33-L42 HydrophobicContact CG1-CG 4.22Å; V33-L42 HydrophobicContact CG2-CB 4.05Å; V33-L42 HydrophobicContact CG2-CD2 4.26Å; G34-L42 PolarHBondContact N-O 3.04Å; G34-L42 VanDerWaalsContact N-O 3.15Å; L42-V44 HydrophobicContact CG-CG2 4.46Å; L42-L106 HydrophobicContact CD2-CD1 4.33Å; L42-L106 HydrophobicContact CD2-CD2 4.15Å |
| 43 | S | 95 | Very high | 94.2 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136.2 | 168.9 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | G34 | G34-S43 WeakPolarHBondContact O-CA 3.45Å |
| 44 | V | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -113.9 | -28 | -170.2 | 162.3 | 0 | 0 | 0 | 0 | 113.4 | C17 V33 G34 L42 D46 I100 T104 | C17-V44 VanDerWaalsContact SG-C 3.57Å; C17-V44 PolarHBondContact SG-O 2.86Å; C17-V44 VanDerWaalsContact SG-O 3.37Å; V33-V44 HydrophobicContact CG1-CG2 3.7Å; G34-V44 PolarHBondContact O-N 3.45Å; L42-V44 HydrophobicContact CG-CG2 4.46Å; V44-D46 HydrophobicContact CG1-CB 3.71Å; V44-D46 PolarHBondContact O-N 3.33Å; V44-I100 HydrophobicContact CB-CD1 4.42Å; V44-I100 HydrophobicContact CG1-CD1 4.06Å; V44-I100 HydrophobicContact CG1-CG1 4.5Å; V44-I100 HydrophobicContact CG2-CD1 3.73Å; V44-T104 HydrophobicContact CG1-CG2 3.61Å; V44-T104 WeakPolarHBondContact CG1-OG1 3.5Å | ||
| 45 | G | 92.9 | Very high | 94.2 | Very high | 40 Ų | 40 | 48.8 Ų | 48.8 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | trans | 69.7 | -8.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | R35 A47 | R35-G45 PolarHBondContact O-N 3.02Å; G45-A47 PolarHBondContact O-N 2.94Å | ||
| 46 | D | 94.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | trans | -65.1 | 127.7 | 178.8 | -162.7 | -48.6 | 0 | 0 | 0 | 111.7 | P16 R35 V44 G48 A49 E102 T103 T104 | P16-D46 HydrophobicContact CG-CB 4.4Å; R35-D46 WeakPolarHBondContact CD-O 3.46Å; R35-D46 VanDerWaalsContact CG-O 3.29Å; R35-D46 WeakPolarHBondContact CG-O 3.3Å; V44-D46 HydrophobicContact CG1-CB 3.71Å; V44-D46 PolarHBondContact O-N 3.33Å; D46-G48 VanDerWaalsContact C-N 3.28Å; D46-G48 PolarHBondContact O-N 3.08Å; D46-G48 PolarHBondContact OD1-N 2.77Å; D46-A49 HydrophobicContact CB-CB 4.12Å; D46-A49 WeakPolarHBondContact O-CB 3.23Å; D46-A49 PolarHBondContact O-N 2.96Å; D46-A49 VanDerWaalsContact O-N 3.08Å; D46-E102 PolarHBondContact OD1-N 3.17Å; D46-T103 WeakPolarHBondContact OD2-CA 3.46Å; D46-T103 PolarHBondContact OD2-N 2.96Å; D46-T103 PolarHBondContact OD2-OG1 2.96Å; D46-T104 WeakPolarHBondContact CB-OG1 3.44Å; D46-T104 PolarHBondContact OD2-N 3.36Å; D46-T104 PolarHBondContact OD2-OG1 3.5Å | ||
| 47 | A | 94.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 44.4 Ų | 44.4 | 60% | 0.595 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -41.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R35 G45 A49 | R35-A47 PolarHBondContact NH1-O 2.96Å; G45-A47 PolarHBondContact O-N 2.94Å; A47-A49 PolarHBondContact O-N 3.06Å |
| 48 | G | 93.5 | Very high | 94.2 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 7% | 0.072 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 0 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D46 N75 G101 E102 | D46-G48 VanDerWaalsContact C-N 3.28Å; D46-G48 PolarHBondContact O-N 3.08Å; D46-G48 PolarHBondContact OD1-N 2.77Å; G48-N75 PolarHBondContact O-ND2 3.41Å; G48-G101 VanDerWaalsContact O-CA 3.27Å; G48-G101 WeakPolarHBondContact O-CA 3.36Å; G48-E102 VanDerWaalsContact CA-OE1 3.31Å; G48-E102 WeakPolarHBondContact CA-OE1 3.42Å; G48-E102 PolarHBondContact N-OE1 2.97Å |
| 49 | A | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -88.9 | 132.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R35 D46 A47 | R35-A49 HydrophobicContact CB-CB 4.1Å; R35-A49 VanDerWaalsContact CB-O 3.29Å; R35-A49 WeakPolarHBondContact CB-O 3.36Å; R35-A49 VanDerWaalsContact CD-O 3.3Å; R35-A49 WeakPolarHBondContact CD-O 3.27Å; R35-A49 PolarHBondContact NH1-O 2.79Å; D46-A49 HydrophobicContact CB-CB 4.12Å; D46-A49 WeakPolarHBondContact O-CB 3.23Å; D46-A49 PolarHBondContact O-N 2.96Å; D46-A49 VanDerWaalsContact O-N 3.08Å; A47-A49 PolarHBondContact O-N 3.06Å |
| 50 | S | 95.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | trans | -59.4 | 157.2 | 166.4 | -51.7 | 0 | 0 | 0 | 0 | 112.6 | R35 R52 H53 S74 | R35-S50 PolarHBondContact N-O 3.24Å; S50-R52 WeakPolarHBondContact CB-O 3.28Å; S50-R52 PolarHBondContact O-N 2.85Å; S50-H53 PolarHBondContact N-ND1 2.87Å; S50-S74 PolarHBondContact OG-N 3.14Å; S50-S74 PolarHBondContact OG-OG 3.06Å | ||
| 51 | Q | 94.6 | Very high | 93.3 | Very high | 125 Ų | 125 | 42.5 Ų | 42.5 | 58% | 0.584 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -61 | -45.7 | -174.7 | -62.2 | -163.2 | 53.9 | 0 | 0 | 112.4 | G34 R35 V36 N40 | G34-Q51 WeakPolarHBondContact CA-O 3.48Å; R35-Q51 PolarHBondContact N-O 3.5Å; V36-Q51 HydrophobicContact CG2-CB 4.3Å; V36-Q51 HydrophobicContact CG2-CG 4.15Å; N40-Q51 PolarHBondContact ND2-O 3.25Å |
| 52 | R | 95 | Very high | 92.7 | Very high | 170 Ų | 170 | 46.4 Ų | 46.4 | 64% | 0.642 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -107.3 | 130.6 | 157.5 | -59.6 | 173 | -175.4 | 164.3 | 2 | 105 | S50 L71 | S50-R52 WeakPolarHBondContact CB-O 3.28Å; S50-R52 PolarHBondContact O-N 2.85Å; R52-L71 HydrophobicContact CB-CD1 4.3Å |
| 53 | H | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -117.8 | -53 | -172.9 | -160.1 | 102.7 | 0 | 0 | 0 | 111.3 | V33 S50 L71 S73 T77 I100 | V33-H53 WeakPolarHBondContact O-CB 3.39Å; V33-H53 PolarHBondContact O-N 2.89Å; S50-H53 PolarHBondContact N-ND1 2.87Å; H53-L71 PolarHBondContact O-N 2.91Å; H53-S73 PolarHBondContact NE2-OG 2.88Å; H53-T77 PolarHBondContact CD2-OG1 2.93Å; H53-I100 VanDerWaalsContact CD2-CG2 3.4Å; H53-I100 WeakPolarHBondContact CD2-CG2 3.32Å; H53-I100 WeakPolarHBondContact NE2-CB 3.49Å; H53-I100 WeakPolarHBondContact NE2-CG2 3.5Å | ||
| 54 | L | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.6 | 176.5 | 60.5 | 80.3 | 0 | 0 | 0 | 110.9 | V33 V56 V68 T69 T77 I98 I100 | V33-L54 HydrophobicContact CB-CD1 3.64Å; V33-L54 HydrophobicContact CB-CG 4.07Å; V33-L54 HydrophobicContact CG2-CD1 3.54Å; V33-L54 HydrophobicContact CG2-CG 4.5Å; V33-L54 PolarHBondContact N-O 2.93Å; V33-L54 PolarHBondContact O-N 2.79Å; L54-V56 HydrophobicContact CD1-CG2 3.63Å; L54-V68 HydrophobicContact CB-CG2 4.28Å; L54-V68 HydrophobicContact CD1-CG2 4.14Å; L54-V68 HydrophobicContact CD2-CG2 3.98Å; L54-V68 HydrophobicContact CG-CG2 4.38Å; L54-T69 CarbonylContact C-O 3.5Å; L54-T69 VanDerWaalsContact CA-O 3.3Å; L54-T69 WeakPolarHBondContact CA-O 3.39Å; L54-T69 WeakPolarHBondContact CB-O 3.39Å; L54-T77 HydrophobicContact CD2-CG2 3.68Å; L54-I98 HydrophobicContact CD2-CG2 3.84Å; L54-I100 HydrophobicContact CD2-CG2 3.58Å |
| 55 | S | 95.5 | Very high | 91.5 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.2 | 164.4 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | L31 V68 T69 | L31-S55 CarbonylContact O-C 3.57Å; L31-S55 WeakPolarHBondContact O-CA 3.36Å; S55-V68 WeakPolarHBondContact O-CA 3.48Å; S55-T69 PolarHBondContact N-O 3.11Å; S55-T69 PolarHBondContact O-N 3.41Å |
| 56 | V | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.1 | 171.6 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | L8 L10 L31 L54 W66 T67 V68 L92 | L8-V56 HydrophobicContact CD2-CB 4.3Å; L8-V56 HydrophobicContact CD2-CG1 3.53Å; L10-V56 HydrophobicContact CD1-CG2 4.42Å; L31-V56 HydrophobicContact CB-CB 4.36Å; L31-V56 WeakPolarHBondContact CB-O 3.42Å; L31-V56 PolarHBondContact N-O 3.17Å; L31-V56 PolarHBondContact O-N 3.45Å; L54-V56 HydrophobicContact CD1-CG2 3.63Å; V56-W66 HydrophobicContact CG1-CE3 4.09Å; V56-T67 CarbonylContact C-O 3.56Å; V56-T67 VanDerWaalsContact CA-O 3.29Å; V56-T67 WeakPolarHBondContact CA-O 3.19Å; V56-T67 WeakPolarHBondContact CG1-O 3.4Å; V56-V68 HydrophobicContact CG2-CB 4.35Å; V56-V68 HydrophobicContact CG2-CG2 4.26Å; V56-L92 HydrophobicContact CG1-CD1 3.55Å; V56-L92 HydrophobicContact CG2-CD1 4.45Å |
| 57 | E | 94.1 | Very high | 91.6 | Very high | 62 Ų | 62 | 52.3 Ų | 52.3 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 164.8 | -175.1 | 70.2 | -167.5 | 161 | 0 | 0 | 110.9 | A30 W66 T67 | A30-E57 HydrophobicContact CB-CB 3.91Å; E57-W66 CarbonylContact O-C 3.56Å; E57-W66 WeakPolarHBondContact O-CA 3.43Å; E57-W66 VanDerWaalsContact O-CE3 3.28Å; E57-T67 WeakPolarHBondContact CG-OG1 3.42Å; E57-T67 PolarHBondContact N-O 2.77Å; E57-T67 PolarHBondContact O-N 2.85Å |
| 58 | F | 93.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 113.2 | 173.3 | -177.1 | -98.1 | 0 | 0 | 0 | 109.6 | P6 A26 A64 W66 | P6-F58 HydrophobicContact CG-CD2 4.15Å; P6-F58 HydrophobicContact CG-CE2 3.33Å; P6-F58 HydrophobicContact CG-CZ 3.77Å; A26-F58 HydrophobicContact CB-CB 4.15Å; A26-F58 HydrophobicContact CB-CD1 3.57Å; A26-F58 HydrophobicContact CB-CD2 3.56Å; A26-F58 HydrophobicContact CB-CE1 3.74Å; A26-F58 HydrophobicContact CB-CE2 3.76Å; A26-F58 HydrophobicContact CB-CG 3.45Å; A26-F58 VanDerWaalsContact CB-CG 3.45Å; A26-F58 HydrophobicContact CB-CZ 3.82Å; F58-A64 WeakPolarHBondContact CE2-O 3.4Å; F58-A64 HydrophobicContact CZ-CB 4.24Å; F58-A64 WeakPolarHBondContact CZ-O 3.37Å; F58-W66 HydrophobicContact CB-CD2 4.12Å; F58-W66 HydrophobicContact CB-CE3 3.9Å; F58-W66 HydrophobicContact CB-CH2 4.12Å; F58-W66 HydrophobicContact CB-CZ2 4.32Å; F58-W66 HydrophobicContact CB-CZ3 3.9Å; F58-W66 AromaticContact CD2-CD1 3.95Å; F58-W66 AromaticContact CD2-CD2 3.92Å; F58-W66 HydrophobicContact CD2-CD2 3.92Å; F58-W66 AromaticContact CD2-CE2 3.81Å; F58-W66 HydrophobicContact CD2-CG 4.03Å; F58-W66 HydrophobicContact CD2-CZ2 4.38Å; F58-W66 AromaticContact CD2-NE1 3.81Å |
| 59 | L | 89.9 | Confident | 91.9 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132.8 | 176 | -68.3 | -178.1 | 0 | 0 | 0 | 110.3 | A63 A64 R65 T67 | L59-A63 HydrophobicContact CB-CB 3.85Å; L59-A63 HydrophobicContact CD1-CB 4Å; L59-A64 VanDerWaalsContact O-CA 3.3Å; L59-A64 WeakPolarHBondContact O-CA 3.42Å; L59-A64 PolarHBondContact O-N 3.35Å; L59-R65 PolarHBondContact N-O 2.91Å; L59-R65 PolarHBondContact O-N 3.4Å; L59-T67 HydrophobicContact CD1-CG2 3.6Å; L59-T67 HydrophobicContact CG-CG2 3.9Å |
| 60 | P | 84.9 | Confident | 91.9 | Very high | 90 Ų | 90 | 49.2 Ų | 49.2 | 58% | 0.584 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 168.2 | 175.9 | 27.6 | -35 | 0 | 0 | 0 | 112.1 | A63 A64 | P60-A63 PolarHBondContact O-N 2.91Å; P60-A64 PolarHBondContact O-N 3.09Å; P60-A64 VanDerWaalsContact O-N 3.14Å |
| 61 | P | 82.8 | Confident | 91.9 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 142.4 | 166.8 | -25.1 | 35.4 | 0 | 0 | 0 | 111.3 | ||
| 62 | P | 81.3 | Confident | 91.8 | Very high | 142 Ų | 142 | 48.4 Ų | 48.4 | 92% | 0.922 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -83.4 | -5.6 | 11 | 34 | -37.5 | 0 | 0 | 0 | 115.1 | ||
| 63 | A | 80.7 | Confident | 91.8 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -38.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L59 P60 R65 | L59-A63 HydrophobicContact CB-CB 3.85Å; L59-A63 HydrophobicContact CD1-CB 4Å; P60-A63 PolarHBondContact O-N 2.91Å; A63-R65 HydrophobicContact CB-CG 4.49Å; A63-R65 WeakPolarHBondContact O-CB 3.46Å; A63-R65 WeakPolarHBondContact O-CG 3.41Å; A63-R65 PolarHBondContact O-N 3.05Å |
| 64 | A | 86.6 | Confident | 91.8 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | trans | 45.2 | 40.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F58 L59 P60 | F58-A64 WeakPolarHBondContact CE2-O 3.4Å; F58-A64 HydrophobicContact CZ-CB 4.24Å; F58-A64 WeakPolarHBondContact CZ-O 3.37Å; L59-A64 VanDerWaalsContact O-CA 3.3Å; L59-A64 WeakPolarHBondContact O-CA 3.42Å; L59-A64 PolarHBondContact O-N 3.35Å; P60-A64 PolarHBondContact O-N 3.09Å; P60-A64 VanDerWaalsContact O-N 3.14Å | ||
| 65 | R | 90.5 | Very high | 91.7 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 158.4 | -173.6 | 67 | -179.8 | 177.5 | -105.2 | 2.8 | 111.8 | L59 A63 | L59-R65 PolarHBondContact N-O 2.91Å; L59-R65 PolarHBondContact O-N 3.4Å; A63-R65 HydrophobicContact CB-CG 4.49Å; A63-R65 WeakPolarHBondContact O-CB 3.46Å; A63-R65 WeakPolarHBondContact O-CG 3.41Å; A63-R65 PolarHBondContact O-N 3.05Å |
| 66 | W | 94.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 142.3 | 171.2 | -66.7 | 95.1 | 0 | 0 | 0 | 111 | P6 L8 R24 A26 V56 E57 F58 L92 I110 | P6-W66 WeakPolarHBondContact O-CZ2 3.47Å; P6-W66 PolarHBondContact O-NE1 3.5Å; L8-W66 HydrophobicContact CB-CD2 3.81Å; L8-W66 VanDerWaalsContact CB-CE2 3.49Å; L8-W66 HydrophobicContact CB-CE3 4.21Å; L8-W66 HydrophobicContact CB-CG 4.36Å; L8-W66 HydrophobicContact CB-CH2 4.04Å; L8-W66 HydrophobicContact CB-CZ2 3.6Å; L8-W66 HydrophobicContact CB-CZ3 4.32Å; L8-W66 HydrophobicContact CD2-CD2 4.03Å; L8-W66 HydrophobicContact CD2-CE3 3.74Å; L8-W66 HydrophobicContact CD2-CH2 4.46Å; L8-W66 HydrophobicContact CD2-CZ3 3.97Å; L8-W66 HydrophobicContact CG-CD2 4.42Å; R24-W66 HydrophobicContact CB-CH2 3.97Å; R24-W66 HydrophobicContact CG-CH2 3.86Å; R24-W66 HydrophobicContact CG-CZ3 4.3Å; R24-W66 WeakPolarHBondContact O-CZ2 3.47Å; A26-W66 HydrophobicContact CB-CZ2 4.03Å; V56-W66 HydrophobicContact CG1-CE3 4.09Å; E57-W66 CarbonylContact O-C 3.56Å; E57-W66 WeakPolarHBondContact O-CA 3.43Å; E57-W66 VanDerWaalsContact O-CE3 3.28Å; F58-W66 HydrophobicContact CB-CD2 4.12Å; F58-W66 HydrophobicContact CB-CE3 3.9Å; F58-W66 HydrophobicContact CB-CH2 4.12Å; F58-W66 HydrophobicContact CB-CZ2 4.32Å; F58-W66 HydrophobicContact CB-CZ3 3.9Å; F58-W66 AromaticContact CD2-CD1 3.95Å; F58-W66 AromaticContact CD2-CD2 3.92Å; F58-W66 HydrophobicContact CD2-CD2 3.92Å; F58-W66 AromaticContact CD2-CE2 3.81Å; F58-W66 HydrophobicContact CD2-CG 4.03Å; F58-W66 HydrophobicContact CD2-CZ2 4.38Å; F58-W66 AromaticContact CD2-NE1 3.81Å; W66-L92 HydrophobicContact CB-CB 4.14Å; W66-L92 PolarHBondContact O-N 3.42Å; W66-I110 HydrophobicContact CB-CD1 4.22Å; W66-I110 HydrophobicContact CG-CD1 4.38Å |
| 67 | T | 95 | Very high | 91.6 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.6 | 173.1 | 40.3 | 0 | 0 | 0 | 0 | 110.8 | V56 E57 L59 P89 A90 | V56-T67 CarbonylContact C-O 3.56Å; V56-T67 VanDerWaalsContact CA-O 3.29Å; V56-T67 WeakPolarHBondContact CA-O 3.19Å; V56-T67 WeakPolarHBondContact CG1-O 3.4Å; E57-T67 WeakPolarHBondContact CG-OG1 3.42Å; E57-T67 PolarHBondContact N-O 2.77Å; E57-T67 PolarHBondContact O-N 2.85Å; L59-T67 HydrophobicContact CD1-CG2 3.6Å; L59-T67 HydrophobicContact CG-CG2 3.9Å; T67-P89 HydrophobicContact CG2-CB 4.27Å; T67-A90 CarbonylContact C-O 3.55Å; T67-A90 WeakPolarHBondContact CA-O 3.42Å; T67-A90 WeakPolarHBondContact CB-O 3.33Å |
| 68 | V | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.3 | 171.5 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | L54 S55 V56 L79 L84 A90 L92 I98 | L54-V68 HydrophobicContact CB-CG2 4.28Å; L54-V68 HydrophobicContact CD1-CG2 4.14Å; L54-V68 HydrophobicContact CD2-CG2 3.98Å; L54-V68 HydrophobicContact CG-CG2 4.38Å; S55-V68 WeakPolarHBondContact O-CA 3.48Å; V56-V68 HydrophobicContact CG2-CB 4.35Å; V56-V68 HydrophobicContact CG2-CG2 4.26Å; V68-L79 HydrophobicContact CG1-CD2 4.36Å; V68-L84 HydrophobicContact CG1-CD1 3.63Å; V68-L84 HydrophobicContact CG2-CD1 4.1Å; V68-A90 HydrophobicContact CG1-CB 4.2Å; V68-A90 PolarHBondContact N-O 3.26Å; V68-A90 PolarHBondContact O-N 3.14Å; V68-L92 HydrophobicContact CB-CD1 4.1Å; V68-L92 HydrophobicContact CB-CD2 4Å; V68-L92 HydrophobicContact CB-CG 3.98Å; V68-L92 HydrophobicContact CG1-CD1 4.47Å; V68-L92 HydrophobicContact CG1-CD2 3.49Å; V68-L92 VanDerWaalsContact CG1-CD2 3.49Å; V68-L92 HydrophobicContact CG1-CG 3.84Å; V68-I98 HydrophobicContact CG2-CD1 4.49Å |
| 69 | T | 96.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.08 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.2 | 178.3 | -50.5 | 0 | 0 | 0 | 0 | 108.1 | L54 S55 L71 P89 | L54-T69 CarbonylContact C-O 3.5Å; L54-T69 VanDerWaalsContact CA-O 3.3Å; L54-T69 WeakPolarHBondContact CA-O 3.39Å; L54-T69 WeakPolarHBondContact CB-O 3.39Å; S55-T69 PolarHBondContact N-O 3.11Å; S55-T69 PolarHBondContact O-N 3.41Å; T69-L71 PolarHBondContact O-N 2.81Å; T69-P89 HydrophobicContact CG2-CG 4.38Å; T69-P89 WeakPolarHBondContact OG1-CA 3.35Å; T69-P89 WeakPolarHBondContact OG1-CB 3.49Å; T69-P89 WeakPolarHBondContact OG1-CG 3.4Å |
| 70 | D | 96.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.011 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 125.2 | 173.2 | -176.5 | -26.7 | 0 | 0 | 0 | 109.1 | G72 S73 G76 T77 T87 | D70-G72 PolarHBondContact O-N 2.82Å; D70-G72 VanDerWaalsContact O-N 3.16Å; D70-G72 PolarHBondContact OD1-N 2.95Å; D70-S73 VanDerWaalsContact CG-OG 3.24Å; D70-S73 VanDerWaalsContact OD1-CB 3.26Å; D70-S73 WeakPolarHBondContact OD1-CB 3.5Å; D70-S73 PolarHBondContact OD1-N 2.86Å; D70-S73 PolarHBondContact OD1-OG 2.8Å; D70-S73 PolarHBondContact OD2-OG 2.74Å; D70-G76 WeakPolarHBondContact OD2-CA 3.49Å; D70-T77 VanDerWaalsContact OD2-CB 3.27Å; D70-T77 WeakPolarHBondContact OD2-CB 3.44Å; D70-T77 PolarHBondContact OD2-N 3.15Å; D70-T77 PolarHBondContact OD2-OG1 3.3Å; D70-T87 PolarHBondContact O-N 3.01Å |
| 71 | L | 95.7 | Very high | 92.4 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 40% | 0.398 | 33% | 0.331 | S | S | . | . | trans | -87.1 | 29.7 | -171.5 | -65.5 | 173.2 | 0 | 0 | 0 | 112.9 | R52 H53 T69 | R52-L71 HydrophobicContact CB-CD1 4.3Å; H53-L71 PolarHBondContact O-N 2.91Å; T69-L71 PolarHBondContact O-N 2.81Å | ||
| 72 | G | 92.8 | Very high | 93 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 79 | 38.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D70 | D70-G72 PolarHBondContact O-N 2.82Å; D70-G72 VanDerWaalsContact O-N 3.16Å; D70-G72 PolarHBondContact OD1-N 2.95Å |
| 73 | S | 94.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | trans | -64.8 | 140.4 | -178 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | H53 D70 N75 G76 | H53-S73 PolarHBondContact NE2-OG 2.88Å; D70-S73 VanDerWaalsContact CG-OG 3.24Å; D70-S73 VanDerWaalsContact OD1-CB 3.26Å; D70-S73 WeakPolarHBondContact OD1-CB 3.5Å; D70-S73 PolarHBondContact OD1-N 2.86Å; D70-S73 PolarHBondContact OD1-OG 2.8Å; D70-S73 PolarHBondContact OD2-OG 2.74Å; S73-N75 PolarHBondContact O-N 3.5Å; S73-N75 VanDerWaalsContact O-N 3.16Å; S73-G76 PolarHBondContact O-N 2.96Å; S73-G76 VanDerWaalsContact O-N 3.08Å; S73-G76 WeakPolarHBondContact OG-CA 3.29Å; S73-G76 PolarHBondContact OG-N 2.87Å | ||
| 74 | S | 94.2 | Very high | 94.3 | Very high | 105 Ų | 105 | 48.4 Ų | 48.4 | 73% | 0.734 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.6 | -167.9 | -43 | 0 | 0 | 0 | 0 | 114.3 | S50 | S50-S74 PolarHBondContact OG-N 3.14Å; S50-S74 PolarHBondContact OG-OG 3.06Å |
| 75 | N | 93.9 | Very high | 94.7 | Very high | 101 Ų | 101 | 50.4 Ų | 50.4 | 54% | 0.54 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -3 | 176.7 | -80.9 | -36 | 0 | 0 | 0 | 112.8 | G48 S73 | G48-N75 PolarHBondContact O-ND2 3.41Å; S73-N75 PolarHBondContact O-N 3.5Å; S73-N75 VanDerWaalsContact O-N 3.16Å |
| 76 | G | 94 | Very high | 94.8 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 27% | 0.268 | 31% | 0.308 | S | S | . | . | trans | 69.7 | 160.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D70 S73 | D70-G76 WeakPolarHBondContact OD2-CA 3.49Å; S73-G76 PolarHBondContact O-N 2.96Å; S73-G76 VanDerWaalsContact O-N 3.08Å; S73-G76 WeakPolarHBondContact OG-CA 3.29Å; S73-G76 PolarHBondContact OG-N 2.87Å | ||
| 77 | T | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 136.8 | 171.3 | -58 | 0 | 0 | 0 | 0 | 110.4 | H53 L54 D70 L84 I98 I100 | H53-T77 PolarHBondContact CD2-OG1 2.93Å; L54-T77 HydrophobicContact CD2-CG2 3.68Å; D70-T77 VanDerWaalsContact OD2-CB 3.27Å; D70-T77 WeakPolarHBondContact OD2-CB 3.44Å; D70-T77 PolarHBondContact OD2-N 3.15Å; D70-T77 PolarHBondContact OD2-OG1 3.3Å; T77-L84 HydrophobicContact CG2-CD1 3.74Å; T77-L84 HydrophobicContact CG2-CG 4.37Å; T77-L84 PolarHBondContact O-N 2.81Å; T77-I98 HydrophobicContact CG2-CG2 3.42Å; T77-I98 VanDerWaalsContact CG2-CG2 3.42Å; T77-I100 HydrophobicContact CG2-CG2 3.99Å |
| 78 | L | 96.1 | Very high | 94.7 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 31% | 0.314 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.8 | 173 | -49.3 | 177.7 | 0 | 0 | 0 | 110.5 | T82 P83 I98 K99 | L78-T82 CarbonylContact C-O 3.6Å; L78-T82 WeakPolarHBondContact CA-O 3.41Å; L78-P83 HydrophobicContact CD2-CB 3.74Å; L78-I98 CarbonylContact O-C 3.59Å; L78-I98 WeakPolarHBondContact O-CA 3.41Å; L78-K99 HydrophobicContact CB-CB 4.24Å; L78-K99 HydrophobicContact CD1-CD 4.26Å; L78-K99 PolarHBondContact N-O 3.02Å; L78-K99 PolarHBondContact O-N 3.27Å |
| 79 | L | 96 | Very high | 94.6 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 119.8 | 172.8 | 179.6 | 65.3 | 0 | 0 | 0 | 109.3 | V68 A81 T82 L84 L92 D96 I98 | V68-L79 HydrophobicContact CG1-CD2 4.36Å; L79-A81 PolarHBondContact O-N 2.91Å; L79-T82 PolarHBondContact N-O 2.85Å; L79-T82 WeakPolarHBondContact O-CA 3.17Å; L79-T82 WeakPolarHBondContact O-CB 3.45Å; L79-T82 PolarHBondContact O-N 3.21Å; L79-L84 HydrophobicContact CB-CD1 4.21Å; L79-L84 HydrophobicContact CB-CD2 3.63Å; L79-L84 HydrophobicContact CB-CG 3.92Å; L79-L84 HydrophobicContact CD2-CD2 3.99Å; L79-L84 HydrophobicContact CG-CD2 4.48Å; L79-L92 HydrophobicContact CD1-CD2 3.61Å; L79-L92 HydrophobicContact CD2-CD2 4.24Å; L79-D96 HydrophobicContact CD1-CB 3.92Å; L79-I98 HydrophobicContact CD1-CG1 3.93Å |
| 80 | N | 94.4 | Very high | 94.5 | Very high | 79 Ų | 79 | 60.1 Ų | 60.1 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 44.4 | -177.5 | -63.4 | -26 | 0 | 0 | 0 | 112.8 | T82 D96 L97 | N80-T82 PolarHBondContact O-N 3.05Å; N80-T82 VanDerWaalsContact O-N 3.13Å; N80-D96 PolarHBondContact ND2-OD1 3.44Å; N80-L97 PolarHBondContact N-O 3.43Å; N80-L97 PolarHBondContact OD1-N 3.37Å |
| 81 | A | 91.6 | Very high | 94.4 | Very high | 91 Ų | 91 | 63.4 Ų | 63.4 | 75% | 0.752 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 2 | -173 | 0 | 0 | 0 | 0 | 0 | 116.7 | L79 | L79-A81 PolarHBondContact O-N 2.91Š|
| 82 | T | 94.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 55% | 0.552 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130.1 | 171.6 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | L78 L79 N80 L84 | L78-T82 CarbonylContact C-O 3.6Å; L78-T82 WeakPolarHBondContact CA-O 3.41Å; L79-T82 PolarHBondContact N-O 2.85Å; L79-T82 WeakPolarHBondContact O-CA 3.17Å; L79-T82 WeakPolarHBondContact O-CB 3.45Å; L79-T82 PolarHBondContact O-N 3.21Å; N80-T82 PolarHBondContact O-N 3.05Å; N80-T82 VanDerWaalsContact O-N 3.13Å; T82-L84 PolarHBondContact O-N 2.92Å |
| 83 | P | 95.1 | Very high | 94.3 | Very high | 92 Ų | 92 | 61.2 Ų | 61.2 | 60% | 0.597 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 133.1 | 175.2 | 27.7 | -33.6 | 0 | 0 | 0 | 111.1 | L78 | L78-P83 HydrophobicContact CD2-CB 3.74Å |
| 84 | L | 94.7 | Very high | 94.2 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 15% | 0.147 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 152.7 | 169.5 | -64.1 | -173.8 | 0 | 0 | 0 | 110.3 | V68 T77 L79 T82 A90 | V68-L84 HydrophobicContact CG1-CD1 3.63Å; V68-L84 HydrophobicContact CG2-CD1 4.1Å; T77-L84 HydrophobicContact CG2-CD1 3.74Å; T77-L84 HydrophobicContact CG2-CG 4.37Å; T77-L84 PolarHBondContact O-N 2.81Å; L79-L84 HydrophobicContact CB-CD1 4.21Å; L79-L84 HydrophobicContact CB-CD2 3.63Å; L79-L84 HydrophobicContact CB-CG 3.92Å; L79-L84 HydrophobicContact CD2-CD2 3.99Å; L79-L84 HydrophobicContact CG-CD2 4.48Å; T82-L84 PolarHBondContact O-N 2.92Å; L84-A90 HydrophobicContact CD1-CB 4.48Å; L84-A90 HydrophobicContact CD2-CB 3.6Å |
| 85 | V | 94.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 63.1 Ų | 63.1 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 127.4 | 170.4 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | I88 | V85-I88 HydrophobicContact CB-CB 4.34Å; V85-I88 HydrophobicContact CB-CD1 4Å; V85-I88 HydrophobicContact CB-CG1 4.28Å; V85-I88 HydrophobicContact CG1-CD1 3.65Å; V85-I88 HydrophobicContact CG1-CG1 4.03Å; V85-I88 PolarHBondContact O-N 2.98Å |
| 86 | A | 93.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 142.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I88 | A86-I88 PolarHBondContact O-N 3.15Š|
| 87 | T | 93 | Very high | 94.5 | Very high | 110 Ų | 110 | 60.9 Ų | 60.9 | 68% | 0.675 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | -2.8 | 178.4 | -39.1 | 0 | 0 | 0 | 0 | 115.4 | D70 | D70-T87 PolarHBondContact O-N 3.01Š|
| 88 | I | 94 | Very high | 94.5 | Very high | 101 Ų | 101 | 60.8 Ų | 60.8 | 52% | 0.518 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -101.2 | 121.5 | 177 | -56.5 | -172.5 | 0 | 0 | 0 | 110.5 | V85 A86 A90 | V85-I88 HydrophobicContact CB-CB 4.34Å; V85-I88 HydrophobicContact CB-CD1 4Å; V85-I88 HydrophobicContact CB-CG1 4.28Å; V85-I88 HydrophobicContact CG1-CD1 3.65Å; V85-I88 HydrophobicContact CG1-CG1 4.03Å; V85-I88 PolarHBondContact O-N 2.98Å; A86-I88 PolarHBondContact O-N 3.15Å; I88-A90 PolarHBondContact O-N 2.93Å |
| 89 | P | 93.9 | Very high | 94.5 | Very high | 64 Ų | 64 | 61.8 Ų | 61.8 | 42% | 0.416 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 116.5 | 176.2 | -19.6 | 31.7 | 0 | 0 | 0 | 112.6 | T67 T69 | T67-P89 HydrophobicContact CG2-CB 4.27Å; T69-P89 HydrophobicContact CG2-CG 4.38Å; T69-P89 WeakPolarHBondContact OG1-CA 3.35Å; T69-P89 WeakPolarHBondContact OG1-CB 3.49Å; T69-P89 WeakPolarHBondContact OG1-CG 3.4Å |
| 90 | A | 94.5 | Very high | 94.5 | Very high | 18 Ų | 18 | 60.9 Ų | 60.9 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 139.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T67 V68 L84 I88 | T67-A90 CarbonylContact C-O 3.55Å; T67-A90 WeakPolarHBondContact CA-O 3.42Å; T67-A90 WeakPolarHBondContact CB-O 3.33Å; V68-A90 HydrophobicContact CG1-CB 4.2Å; V68-A90 PolarHBondContact N-O 3.26Å; V68-A90 PolarHBondContact O-N 3.14Å; L84-A90 HydrophobicContact CD1-CB 4.48Å; L84-A90 HydrophobicContact CD2-CB 3.6Å; I88-A90 PolarHBondContact O-N 2.93Å |
| 91 | P | 93.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 46% | 0.461 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 136.8 | 178.8 | 29 | -34.6 | 0 | 0 | 0 | 112 | ||
| 92 | L | 94.7 | Very high | 94.5 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 145.1 | 169.6 | -71.2 | -177.2 | 0 | 0 | 0 | 111.6 | V56 W66 V68 L79 I98 V108 I110 | V56-L92 HydrophobicContact CG1-CD1 3.55Å; V56-L92 HydrophobicContact CG2-CD1 4.45Å; W66-L92 HydrophobicContact CB-CB 4.14Å; W66-L92 PolarHBondContact O-N 3.42Å; V68-L92 HydrophobicContact CB-CD1 4.1Å; V68-L92 HydrophobicContact CB-CD2 4Å; V68-L92 HydrophobicContact CB-CG 3.98Å; V68-L92 HydrophobicContact CG1-CD1 4.47Å; V68-L92 HydrophobicContact CG1-CD2 3.49Å; V68-L92 VanDerWaalsContact CG1-CD2 3.49Å; V68-L92 HydrophobicContact CG1-CG 3.84Å; L79-L92 HydrophobicContact CD1-CD2 3.61Å; L79-L92 HydrophobicContact CD2-CD2 4.24Å; L92-I98 HydrophobicContact CD1-CD1 4.29Å; L92-I98 HydrophobicContact CD2-CD1 3.99Å; L92-I98 HydrophobicContact CD2-CG1 4.35Å; L92-V108 HydrophobicContact CD1-CG2 4.41Å; L92-V108 HydrophobicContact CD2-CG2 4.38Å; L92-I110 HydrophobicContact CB-CD1 4.29Å |
| 93 | S | 92.5 | Very high | 94.4 | Very high | 69 Ų | 69 | 58.1 Ų | 58.1 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | trans | -120.9 | 164.7 | 175.3 | -56 | 0 | 0 | 0 | 0 | 111.5 | D96 V108 | S93-D96 PolarHBondContact N-OD2 2.87Å; S93-D96 PolarHBondContact O-N 2.83Å; S93-V108 VanDerWaalsContact O-CG1 3.28Å; S93-V108 WeakPolarHBondContact O-CG1 3.42Å | ||
| 94 | D | 93.5 | Very high | 94.4 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 58% | 0.578 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 134.3 | 171.6 | -174.1 | 52.4 | 0 | 0 | 0 | 111.1 | S109 I110 | D94-S109 WeakPolarHBondContact OD1-CA 3.39Å; D94-I110 HydrophobicContact CB-CB 4.31Å; D94-I110 PolarHBondContact OD1-N 2.8Å |
| 95 | G | 94.4 | Very high | 94.5 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 52% | 0.515 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -4.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | V108 | G95-V108 WeakPolarHBondContact CA-O 3.49Å; G95-V108 PolarHBondContact N-O 3.22Å |
| 96 | D | 95.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | trans | -58.8 | 148.5 | -179.4 | -79.9 | -12.7 | 0 | 0 | 0 | 113.4 | L79 N80 S93 V108 | L79-D96 HydrophobicContact CD1-CB 3.92Å; N80-D96 PolarHBondContact ND2-OD1 3.44Å; S93-D96 PolarHBondContact N-OD2 2.87Å; S93-D96 PolarHBondContact O-N 2.83Å; D96-V108 HydrophobicContact CB-CB 3.91Å; D96-V108 HydrophobicContact CB-CG1 4.47Å; D96-V108 HydrophobicContact CB-CG2 3.95Å; D96-V108 WeakPolarHBondContact O-CB 3.3Å; D96-V108 PolarHBondContact O-N 3.49Å | ||
| 97 | L | 96.5 | Very high | 94.8 | Very high | 63 Ų | 63 | 47.7 Ų | 47.7 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.1 | 175.8 | -62.4 | -178.9 | 0 | 0 | 0 | 110.8 | K13 N80 V105 L106 A107 | K13-L97 HydrophobicContact CD-CD2 4.28Å; N80-L97 PolarHBondContact N-O 3.43Å; N80-L97 PolarHBondContact OD1-N 3.37Å; L97-V105 HydrophobicContact CB-CG1 4.24Å; L97-V105 HydrophobicContact CD2-CG1 4.39Å; L97-L106 WeakPolarHBondContact CA-O 3.37Å; L97-A107 HydrophobicContact CD2-CB 3.87Å |
| 98 | I | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 109.7 | 176.4 | -46.2 | 174.2 | 0 | 0 | 0 | 108.4 | L54 V68 T77 L78 L79 L92 I100 V105 L106 V108 | L54-I98 HydrophobicContact CD2-CG2 3.84Å; V68-I98 HydrophobicContact CG2-CD1 4.49Å; T77-I98 HydrophobicContact CG2-CG2 3.42Å; T77-I98 VanDerWaalsContact CG2-CG2 3.42Å; L78-I98 CarbonylContact O-C 3.59Å; L78-I98 WeakPolarHBondContact O-CA 3.41Å; L79-I98 HydrophobicContact CD1-CG1 3.93Å; L92-I98 HydrophobicContact CD1-CD1 4.29Å; L92-I98 HydrophobicContact CD2-CD1 3.99Å; L92-I98 HydrophobicContact CD2-CG1 4.35Å; I98-I100 HydrophobicContact CG2-CG2 4.1Å; I98-V105 WeakPolarHBondContact O-CA 3.37Å; I98-L106 HydrophobicContact CB-CB 4.26Å; I98-L106 PolarHBondContact N-O 3.27Å; I98-L106 PolarHBondContact O-N 3.36Å; I98-V108 HydrophobicContact CD1-CG2 3.7Å; I98-V108 HydrophobicContact CG1-CG2 3.85Å |
| 99 | K | 96.3 | Very high | 95 | Very high | 80 Ų | 80 | 40.3 Ų | 40.3 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.4 | 167.7 | 170.8 | 169.9 | -177.5 | -175.2 | 0 | 109.7 | L78 G101 E102 T104 V105 | L78-K99 HydrophobicContact CB-CB 4.24Å; L78-K99 HydrophobicContact CD1-CD 4.26Å; L78-K99 PolarHBondContact N-O 3.02Å; L78-K99 PolarHBondContact O-N 3.27Å; K99-G101 WeakPolarHBondContact CE-O 3.45Å; K99-E102 WeakPolarHBondContact CE-O 3.35Å; K99-E102 PolarHBondContact NZ-O 3.43Å; K99-T104 WeakPolarHBondContact CA-O 3.46Å; K99-T104 WeakPolarHBondContact CG-O 3.47Å; K99-V105 HydrophobicContact CB-CG2 4.25Å; K99-V105 HydrophobicContact CG-CG2 4.5Å |
| 100 | I | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.7 | 177.4 | 53.5 | 179.9 | 0 | 0 | 0 | 109.9 | V33 V44 H53 L54 T77 I98 T104 L106 | V33-I100 HydrophobicContact CG1-CD1 3.94Å; V44-I100 HydrophobicContact CB-CD1 4.42Å; V44-I100 HydrophobicContact CG1-CD1 4.06Å; V44-I100 HydrophobicContact CG1-CG1 4.5Å; V44-I100 HydrophobicContact CG2-CD1 3.73Å; H53-I100 VanDerWaalsContact CD2-CG2 3.4Å; H53-I100 WeakPolarHBondContact CD2-CG2 3.32Å; H53-I100 WeakPolarHBondContact NE2-CB 3.49Å; H53-I100 WeakPolarHBondContact NE2-CG2 3.5Å; L54-I100 HydrophobicContact CD2-CG2 3.58Å; T77-I100 HydrophobicContact CG2-CG2 3.99Å; I98-I100 HydrophobicContact CG2-CG2 4.1Å; I100-T104 HydrophobicContact CD1-CG2 4.03Å; I100-T104 HydrophobicContact CG1-CG2 3.71Å; I100-T104 PolarHBondContact N-O 3.46Å; I100-T104 VanDerWaalsContact N-O 3.08Å; I100-T104 WeakPolarHBondContact O-CB 3.41Å; I100-L106 HydrophobicContact CD1-CD1 3.97Å; I100-L106 HydrophobicContact CD1-CD2 4.38Å; I100-L106 HydrophobicContact CD1-CG 4.18Å |
| 101 | G | 93.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -146.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G48 K99 | G48-G101 VanDerWaalsContact O-CA 3.27Å; G48-G101 WeakPolarHBondContact O-CA 3.36Å; K99-G101 WeakPolarHBondContact CE-O 3.45Å |
| 102 | E | 92.5 | Very high | 93.9 | Very high | 117 Ų | 117 | 41.6 Ų | 41.6 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -46.3 | -170.2 | -72.9 | 164.1 | -132 | 0 | 0 | 112.6 | D46 G48 K99 | D46-E102 PolarHBondContact OD1-N 3.17Å; G48-E102 VanDerWaalsContact CA-OE1 3.31Å; G48-E102 WeakPolarHBondContact CA-OE1 3.42Å; G48-E102 PolarHBondContact N-OE1 2.97Å; K99-E102 WeakPolarHBondContact CE-O 3.35Å; K99-E102 PolarHBondContact NZ-O 3.43Å |
| 103 | T | 93.7 | Very high | 92.2 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -19.3 | -165.1 | 70.1 | 0 | 0 | 0 | 0 | 114.4 | D46 | D46-T103 WeakPolarHBondContact OD2-CA 3.46Å; D46-T103 PolarHBondContact OD2-N 2.96Å; D46-T103 PolarHBondContact OD2-OG1 2.96Å |
| 104 | T | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 132.8 | -169.4 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | V12 K14 G15 V44 D46 K99 I100 L106 | V12-T104 HydrophobicContact CG1-CG2 4.16Å; K14-T104 VanDerWaalsContact O-CA 3.32Å; K14-T104 WeakPolarHBondContact O-CA 3.39Å; K14-T104 WeakPolarHBondContact O-CG2 3.46Å; G15-T104 WeakPolarHBondContact CA-OG1 3.45Å; V44-T104 HydrophobicContact CG1-CG2 3.61Å; V44-T104 WeakPolarHBondContact CG1-OG1 3.5Å; D46-T104 WeakPolarHBondContact CB-OG1 3.44Å; D46-T104 PolarHBondContact OD2-N 3.36Å; D46-T104 PolarHBondContact OD2-OG1 3.5Å; K99-T104 WeakPolarHBondContact CA-O 3.46Å; K99-T104 WeakPolarHBondContact CG-O 3.47Å; I100-T104 HydrophobicContact CD1-CG2 4.03Å; I100-T104 HydrophobicContact CG1-CG2 3.71Å; I100-T104 PolarHBondContact N-O 3.46Å; I100-T104 VanDerWaalsContact N-O 3.08Å; I100-T104 WeakPolarHBondContact O-CB 3.41Å; T104-L106 HydrophobicContact CG2-CD2 3.96Å |
| 105 | V | 96.8 | Very high | 87.6 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 118.6 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | K13 K14 L97 I98 K99 | K13-V105 WeakPolarHBondContact CA-O 3.49Å; K13-V105 WeakPolarHBondContact CB-O 3.29Å; K13-V105 PolarHBondContact N-O 2.95Å; K14-V105 HydrophobicContact CB-CB 4.11Å; K14-V105 HydrophobicContact CB-CG2 4.17Å; K14-V105 HydrophobicContact CD-CG2 4.32Å; K14-V105 PolarHBondContact N-O 2.78Å; K14-V105 VanDerWaalsContact N-O 3.14Å; K14-V105 PolarHBondContact O-N 2.95Å; L97-V105 HydrophobicContact CB-CG1 4.24Å; L97-V105 HydrophobicContact CD2-CG1 4.39Å; I98-V105 WeakPolarHBondContact O-CA 3.37Å; K99-V105 HydrophobicContact CB-CG2 4.25Å; K99-V105 HydrophobicContact CG-CG2 4.5Å |
| 106 | L | 96.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 140.6 | 169.4 | -46.2 | -179.9 | 0 | 0 | 0 | 108.8 | L11 V12 V33 L42 L97 I98 I100 T104 | L11-L106 CarbonylContact O-C 3.57Å; L11-L106 WeakPolarHBondContact O-CA 3.29Å; V12-L106 HydrophobicContact CB-CD2 4.33Å; V12-L106 HydrophobicContact CG1-CD2 4.4Å; V12-L106 HydrophobicContact CG2-CD2 3.76Å; V33-L106 HydrophobicContact CG1-CD1 4.2Å; L42-L106 HydrophobicContact CD2-CD1 4.33Å; L42-L106 HydrophobicContact CD2-CD2 4.15Å; L97-L106 WeakPolarHBondContact CA-O 3.37Å; I98-L106 HydrophobicContact CB-CB 4.26Å; I98-L106 PolarHBondContact N-O 3.27Å; I98-L106 PolarHBondContact O-N 3.36Å; I100-L106 HydrophobicContact CD1-CD1 3.97Å; I100-L106 HydrophobicContact CD1-CD2 4.38Å; I100-L106 HydrophobicContact CD1-CG 4.18Å; T104-L106 HydrophobicContact CG2-CD2 3.96Å |
| 107 | A | 96.6 | Very high | 82.7 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 12% | 0.116 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L10 L11 K13 L97 | L10-A107 WeakPolarHBondContact CA-O 3.41Å; L11-A107 PolarHBondContact N-O 2.89Å; L11-A107 PolarHBondContact O-N 2.74Å; K13-A107 HydrophobicContact CB-CB 4.44Å; K13-A107 HydrophobicContact CD-CB 4.28Å; L97-A107 HydrophobicContact CD2-CB 3.87Å |
| 108 | V | 96.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 137 | 177.4 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | L8 L10 L92 S93 G95 D96 I98 I110 | L8-V108 HydrophobicContact CD1-CG1 3.74Å; L10-V108 HydrophobicContact CD2-CB 4.44Å; L10-V108 HydrophobicContact CD2-CG2 3.84Å; L92-V108 HydrophobicContact CD1-CG2 4.41Å; L92-V108 HydrophobicContact CD2-CG2 4.38Å; S93-V108 VanDerWaalsContact O-CG1 3.28Å; S93-V108 WeakPolarHBondContact O-CG1 3.42Å; G95-V108 WeakPolarHBondContact CA-O 3.49Å; G95-V108 PolarHBondContact N-O 3.22Å; D96-V108 HydrophobicContact CB-CB 3.91Å; D96-V108 HydrophobicContact CB-CG1 4.47Å; D96-V108 HydrophobicContact CB-CG2 3.95Å; D96-V108 WeakPolarHBondContact O-CB 3.3Å; D96-V108 PolarHBondContact O-N 3.49Å; I98-V108 HydrophobicContact CD1-CG2 3.7Å; I98-V108 HydrophobicContact CG1-CG2 3.85Å; V108-I110 HydrophobicContact CG1-CD1 4.12Å; V108-I110 HydrophobicContact CG1-CG1 3.85Å |
| 109 | S | 94.6 | Very high | 78 | Confident | 56 Ų | 56 | 54 Ų | 54 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 129.2 | 165.3 | -53.4 | 0 | 0 | 0 | 0 | 110 | L8 T9 D94 | L8-S109 CarbonylContact C-O 3.52Å; T9-S109 PolarHBondContact N-O 2.71Å; T9-S109 PolarHBondContact O-N 2.98Å; D94-S109 WeakPolarHBondContact OD1-CA 3.39Å |
| 110 | I | 93.4 | Very high | 76 | Confident | 31 Ų | 31 | 56.3 Ų | 56.3 | 16% | 0.159 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 99.8 | -174.1 | -55.5 | 177.6 | 0 | 0 | 0 | 108.6 | P6 L8 W66 L92 D94 V108 | P6-I110 HydrophobicContact CB-CG2 3.99Å; L8-I110 HydrophobicContact CD1-CG1 4.02Å; W66-I110 HydrophobicContact CB-CD1 4.22Å; W66-I110 HydrophobicContact CG-CD1 4.38Å; L92-I110 HydrophobicContact CB-CD1 4.29Å; D94-I110 HydrophobicContact CB-CB 4.31Å; D94-I110 PolarHBondContact OD1-N 2.8Å; V108-I110 HydrophobicContact CG1-CD1 4.12Å; V108-I110 HydrophobicContact CG1-CG1 3.85Å |
| 111 | S | 89 | Confident | 73.7 | Confident | 52 Ų | 52 | 62 Ų | 62 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 107.6 | 179.9 | 45 | 0 | 0 | 0 | 0 | 111.8 | V7 D113 | V7-S111 PolarHBondContact N-O 3.08Å; V7-S111 PolarHBondContact O-N 3.46Å; V7-S111 PolarHBondContact O-OG 3.34Å; S111-D113 VanDerWaalsContact C-N 3.35Å; S111-D113 PolarHBondContact O-N 2.81Å |
| 112 | T | 76.4 | Confident | 71.6 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 59% | 0.589 | 45% | 0.452 | S | S | * | . | trans | -85.9 | 72.6 | 159.8 | 50.7 | 0 | 0 | 0 | 0 | 109.1 | P6 A114 | P6-T112 HydrophobicContact CB-CG2 3.75Å; T112-A114 VanDerWaalsContact C-N 3.33Å; T112-A114 PolarHBondContact O-N 2.86Å | ||
| 113 | D | 60.3 | Low | 69.3 | Low | 94 Ų | 94 | 65.4 Ų | 65.4 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | trans | -73.5 | 87.2 | -177.2 | -171.2 | 60.3 | 0 | 0 | 0 | 111.5 | S111 G115 P116 | S111-D113 VanDerWaalsContact C-N 3.35Å; S111-D113 PolarHBondContact O-N 2.81Å; D113-G115 PolarHBondContact O-N 2.6Å; D113-P116 WeakPolarHBondContact OD2-CD 3.47Å | ||
| 114 | A | 47.2 | Very low | 67 | Low | 89 Ų | 89 | 71.1 Ų | 71.1 | 74% | 0.736 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -78.3 | 48.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P4 T112 | P4-A114 HydrophobicContact CG-CB 4.28Å; T112-A114 VanDerWaalsContact C-N 3.33Å; T112-A114 PolarHBondContact O-N 2.86Å |
| 115 | G | 41.8 | Very low | 64.6 | Low | 49 Ų | 49 | 81.4 Ų | 81.4 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | S | Bend | trans | 93.6 | 128 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D113 G117 | D113-G115 PolarHBondContact O-N 2.6Å; G115-G117 PolarHBondContact O-N 2.87Å; G115-G117 VanDerWaalsContact O-N 3.14Å |
| 116 | P | 47.5 | Very low | 62.4 | Low | 104 Ų | 104 | 85.2 Ų | 85.2 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | trans | -74.7 | 110.3 | -172.9 | 29 | -34.8 | 0 | 0 | 0 | 111.3 | D113 P118 | D113-P116 WeakPolarHBondContact OD2-CD 3.47Å; P116-P118 VanDerWaalsContact O-CD 3.29Å; P116-P118 WeakPolarHBondContact O-CD 3.33Å | ||
| 117 | G | 40.2 | Very low | 60.2 | Low | 68 Ų | 68 | 95.4 Ų | 95.4 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | trans | -71.1 | 113 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | G115 G119 | G115-G117 PolarHBondContact O-N 2.87Å; G115-G117 VanDerWaalsContact O-N 3.14Å; G117-G119 VanDerWaalsContact C-N 3.26Å; G117-G119 PolarHBondContact O-N 3.21Å | ||
| 118 | P | 50 | Low | 57.9 | Low | 117 Ų | 117 | 105 Ų | 105 | 76% | 0.76 | 61% | 0.611 | S | S | * | * | trans | -79.7 | 70.9 | -167.9 | 32.8 | -36.2 | 0 | 0 | 0 | 112.5 | P116 | P116-P118 VanDerWaalsContact O-CD 3.29Å; P116-P118 WeakPolarHBondContact O-CD 3.33Å | ||
| 119 | G | 44.1 | Very low | 55.7 | Low | 55 Ų | 55 | 112.8 Ų | 112.8 | 57% | 0.567 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 67.8 | -180 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G117 V121 | G117-G119 VanDerWaalsContact C-N 3.26Å; G117-G119 PolarHBondContact O-N 3.21Å; G119-V121 PolarHBondContact O-N 3.13Å |
| 120 | P | 54.8 | Low | 53.5 | Low | 128 Ų | 128 | 113.9 Ų | 113.9 | 83% | 0.831 | 67% | 0.665 | S | S | * | * | trans | -69.8 | 96.4 | 168.7 | 29.8 | -32.8 | 0 | 0 | 0 | 108.9 | A122 | P120-A122 PolarHBondContact O-N 3.49Š| ||
| 121 | V | 47.3 | Very low | 51.1 | Low | 119 Ų | 119 | 117.6 Ų | 117.6 | 72% | 0.721 | 70% | 0.701 | S | S | * | * | trans | -64.2 | 83.5 | 158.3 | -179.9 | 0 | 0 | 0 | 0 | 107 | G119 T123 | G119-V121 PolarHBondContact O-N 3.13Å; V121-T123 PolarHBondContact O-N 2.85Å | ||
| 122 | A | 47.9 | Very low | 48.9 | Very low | 85 Ų | 85 | 119.9 Ų | 119.9 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | trans | -52.1 | 110.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | P120 R124 | P120-A122 PolarHBondContact O-N 3.49Å; A122-R124 PolarHBondContact O-N 3.27Å | ||
| 123 | T | 44.6 | Very low | 47.2 | Very low | 115 Ų | 115 | 120 Ų | 120 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -55.8 | 110.7 | -167.1 | -46.7 | 0 | 0 | 0 | 0 | 108.6 | V121 R125 | V121-T123 PolarHBondContact O-N 2.85Å; T123-R125 HydrophobicContact CG2-CG 4.06Å; T123-R125 PolarHBondContact O-N 3.43Å | ||
| 124 | R | 44.9 | Very low | 46.6 | Very low | 194 Ų | 194 | 120.1 Ų | 120.1 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | -75.9 | 61.7 | -176 | -161.1 | 178.9 | -169.3 | -90.5 | 6.5 | 110.3 | A122 S126 | A122-R124 PolarHBondContact O-N 3.27Å; R124-S126 PolarHBondContact O-N 3.15Å | ||
| 125 | R | 46.5 | Very low | 46.8 | Very low | 216 Ų | 216 | 122.9 Ų | 122.9 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | 126.4 | -176.2 | -71 | -178.8 | 177 | -167.2 | -0.8 | 109.5 | T123 R127 | T123-R125 HydrophobicContact CG2-CG 4.06Å; T123-R125 PolarHBondContact O-N 3.43Å; R125-R127 PolarHBondContact O-N 3Å |
| 126 | S | 49.3 | Very low | 46.9 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.4 | 60.8 | 157.9 | -152.2 | 0 | 0 | 0 | 0 | 117.5 | R124 | R124-S126 PolarHBondContact O-N 3.15Š|
| 127 | R | 51.7 | Low | 46.8 | Very low | 214 Ų | 214 | 130.2 Ų | 130.2 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -142.6 | 42.1 | 159.4 | -72.7 | -158.4 | -179.2 | -170 | 2.3 | 114.1 | R125 | R125-R127 PolarHBondContact O-N 3Š|
| 128 | R | 47.1 | Very low | 46.8 | Very low | 214 Ų | 214 | 130.6 Ų | 130.6 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -140.3 | -3.6 | 164.2 | -75.3 | -164.5 | -171.7 | 153.3 | 2.8 | 115.3 | A130 | R128-A130 PolarHBondContact O-N 2.78Š|
| 129 | N | 51.5 | Low | 46.6 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -82.7 | 57.3 | 166.4 | -67.4 | 26 | 0 | 0 | 0 | 109.7 | ||
| 130 | A | 48 | Very low | 46.4 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -163.6 | 148.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | R128 | R128-A130 PolarHBondContact O-N 2.78Š|
| 131 | A | 42.3 | Very low | 46.3 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 65.6 | 41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 132 | A | 43.2 | Very low | 46.2 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -142.5 | 29.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 133 | A | 41.9 | Very low | 46.1 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -167 | 152.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||
| 134 | A | 46.8 | Very low | 46.1 | Very low | 97 Ų | 97 | 147.9 Ų | 147.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | 88.7 | 72 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 135 | D | 50.9 | Low | 46.1 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | cis | 72.6 | 137 | 49.9 | -147.4 | 7.8 | 0 | 0 | 0 | 115.8 | ||||
| 136 | E | 44.8 | Very low | 46 | Very low | 140 Ų | 140 | 137 Ų | 137 | 65% | 0.654 | 81% | 0.809 | S | S | * | * | trans | 61 | 137.9 | 171.7 | -82.8 | -78.3 | 70.4 | 0 | 0 | 123.4 | ||||
| 137 | Q | 44.2 | Very low | 45.9 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | 67.7 | 118 | 149 | -65.3 | 165 | 30.5 | 0 | 0 | 123.6 | ||||
| 138 | G | 40 | Very low | 45.7 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | 127.7 | 120.9 | 133 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 139 | P | 46.6 | Very low | 45.7 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -120.3 | 157.1 | -168 | 41.2 | -31.4 | 0 | 0 | 0 | 118.4 | ||||
| 140 | A | 39.9 | Very low | 45.2 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 56.6 | 112.4 | 141 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 141 | V | 53.2 | Low | 44.9 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | trans | -149.3 | 130 | 131.5 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 142 | P | 45.5 | Very low | 44.9 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -120.8 | 119 | 165 | 34.9 | -22.7 | 0 | 0 | 0 | 113.1 | ||||
| 143 | R | 46 | Very low | 44.9 | Very low | 252 Ų | 252 | 137.9 Ų | 137.9 | 95% | 0.951 | 81% | 0.806 | S | S | * | * | trans | 172.6 | 124.4 | 151.4 | -102.9 | 157.7 | 172.9 | 154.7 | -1.6 | 113.8 | ||||
| 144 | R | 43.8 | Very low | 44.9 | Very low | 255 Ų | 255 | 141.9 Ų | 141.9 | 96% | 0.962 | 81% | 0.808 | S | S | * | * | trans | -157.4 | 151 | 138.6 | -127.6 | 177.2 | -177.5 | -169.1 | 0.4 | 110.4 | ||||
| 145 | A | 43.8 | Very low | 44.8 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -132.8 | 153.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 146 | G | 44.6 | Very low | 45 | Very low | 76 Ų | 76 | 140.4 Ų | 140.4 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 138 | 159.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 147 | R | 48.6 | Very low | 45 | Very low | 199 Ų | 199 | 142.7 Ų | 142.7 | 75% | 0.751 | 82% | 0.817 | S | S | * | * | cis | -171.7 | 126.6 | -8.1 | 179.1 | 178.7 | -171.9 | -138.8 | 11.9 | 111.1 | ||||
| 148 | R | 46.1 | Very low | 45.1 | Very low | 208 Ų | 208 | 139.6 Ų | 139.6 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | 68.2 | 164.9 | 170.2 | -65.8 | 165.8 | 174.6 | -172.2 | -7.5 | 114.2 | ||||
| 149 | K | 49 | Very low | 45.4 | Very low | 207 Ų | 207 | 139.5 Ų | 139.5 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | cis | -138.9 | 178.8 | 14.2 | -157.8 | -177.8 | 175 | -169 | 0 | 110.9 | ||||
| 150 | A | 41 | Very low | 45.5 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -134.3 | 165.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 151 | G | 40.6 | Very low | 45.7 | Very low | 67 Ų | 67 | 146.1 Ų | 146.1 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | trans | 160.6 | 126.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 152 | A | 42.9 | Very low | 45.4 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | 67.9 | 127.9 | 53.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 153 | T | 43 | Very low | 45.4 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | cis | -150.5 | -171.2 | 24.2 | -44.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 154 | E | 41.9 | Very low | 45.4 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 84% | 0.841 | 83% | 0.83 | S | S | * | * | trans | -54.9 | 176.6 | 177.3 | -52 | 151.1 | 118.6 | 0 | 0 | 115.1 | ||||
| 155 | A | 44.6 | Very low | 45.3 | Very low | 92 Ų | 92 | 143.5 Ų | 143.5 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | cis | -159.8 | 178.7 | 2.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 156 | P | 55.8 | Low | 45.3 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -108.2 | 163.5 | -170.2 | 40.4 | -34.7 | 0 | 0 | 0 | 117 | ||||
| 157 | E | 44.3 | Very low | 45 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | -178.6 | 158.6 | 127.4 | -108.8 | -171.5 | -178.6 | 0 | 0 | 115.9 | |||||
| 158 | A | 46.5 | Very low | 44.5 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | 53.4 | 143.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 159 | G | 45.7 | Very low | 44.5 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | -175.6 | 6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 160 | N | 48.4 | Very low | 44 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | 65.6 | 151.6 | 169.6 | -67.7 | 4.1 | 0 | 0 | 0 | 121.6 | ||||
| 161 | E | 44 | Very low | 44.2 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -114.4 | 155.3 | 175 | -57.6 | 146 | -148.1 | 0 | 0 | 109.9 | ||||
| 162 | V | 47.3 | Very low | 44.1 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -160.8 | 133.7 | 144.1 | 169.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 163 | E | 46.1 | Very low | 43.9 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | trans | -106.5 | 148.6 | 158.4 | -64.3 | -175.5 | 138.5 | 0 | 0 | 109.4 | ||||
| 164 | E | 45.5 | Very low | 43.9 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 85% | 0.846 | S | S | * | * | trans | -140.8 | 107.4 | 167 | -166.5 | 176.5 | 169.9 | 0 | 0 | 111.6 | ||||
| 165 | E | 41.6 | Very low | 43.8 | Very low | 199 Ų | 199 | 148.9 Ų | 148.9 | 93% | 0.93 | 84% | 0.842 | S | S | * | * | trans | -124 | 121.9 | 163.9 | -177.4 | -176.2 | -132.7 | 0 | 0 | 107.8 | ||||
| 166 | A | 43.1 | Very low | 43.7 | Very low | 87 Ų | 87 | 154.3 Ų | 154.3 | 72% | 0.719 | 84% | 0.843 | S | S | * | * | trans | -146.1 | 137.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 167 | A | 38.3 | Very low | 43.1 | Very low | 97 Ų | 97 | 158.3 Ų | 158.3 | 80% | 0.802 | 85% | 0.848 | S | S | * | * | trans | -102.5 | 171 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 168 | L | 39.9 | Very low | 42.7 | Very low | 167 Ų | 167 | 155.7 Ų | 155.7 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | trans | -50.6 | 151.1 | 176.2 | -57.3 | 168.2 | 0 | 0 | 0 | 113.3 | ||||
| 169 | P | 45.8 | Very low | 42.6 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 81% | 0.812 | 85% | 0.847 | S | S | * | * | -137.4 | 152.5 | 123.2 | 37.1 | -27.5 | 0 | 0 | 0 | 114.6 | |||||
| 170 | T | 38.7 | Very low | 42.4 | Very low | 130 Ų | 130 | 162.6 Ų | 162.6 | 80% | 0.798 | 85% | 0.85 | S | S | * | * | trans | -104.4 | 146.5 | 164.2 | 61.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 171 | R | 44.7 | Very low | 42.2 | Very low | 258 Ų | 258 | 159.4 Ų | 159.4 | 97% | 0.974 | 84% | 0.838 | S | S | * | * | trans | -162.7 | 161.9 | 156.1 | -113.7 | 159.3 | -163.7 | -124.3 | -0.2 | 113.6 | ||||
| 172 | R | 37.3 | Very low | 42 | Very low | 251 Ų | 251 | 155 Ų | 155 | 95% | 0.947 | 83% | 0.834 | S | S | * | * | trans | -100.1 | 150 | -172.2 | -70.9 | 174.8 | 164.4 | -173.6 | -4.7 | 112.7 | ||||
| 173 | G | 39.8 | Very low | 41.5 | Very low | 84 Ų | 84 | 159.1 Ų | 159.1 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | 108 | 145.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 174 | G | 41.8 | Very low | 41.5 | Very low | 78 Ų | 78 | 155.7 Ų | 155.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | cis | 164.2 | 153.2 | -12 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 175 | R | 40.8 | Very low | 41.4 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 77% | 0.774 | 82% | 0.823 | S | S | * | * | trans | 75.2 | 95.2 | 154.4 | -161.8 | 177.7 | -170.5 | -102.8 | 9 | 119.5 | ||||
| 176 | R | 41.6 | Very low | 41.6 | Very low | 206 Ų | 206 | 151.3 Ų | 151.3 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | 73.2 | 122.6 | 142.7 | -59.2 | 173.5 | -176.9 | -159.4 | -2.7 | 120.1 | ||||
| 177 | K | 44.5 | Very low | 41.5 | Very low | 206 Ų | 206 | 156.6 Ų | 156.6 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | -149.3 | 152.6 | 109.9 | -149.5 | 165.4 | -176.1 | 178.4 | 0 | 110.6 | |||||
| 178 | T | 36.5 | Very low | 41.9 | Very low | 133 Ų | 133 | 155.8 Ų | 155.8 | 82% | 0.816 | 82% | 0.818 | S | S | * | * | trans | -110.6 | 127 | -176 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 179 | V | 43.8 | Very low | 42.1 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -144.9 | 129.6 | 157.5 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 180 | E | 40.2 | Very low | 41.7 | Very low | 175 Ų | 175 | 158.6 Ų | 158.6 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -135.9 | 170 | 157.4 | -120.4 | -143 | 125.3 | 0 | 0 | 105.1 | ||||
| 181 | P | 45.1 | Very low | 42 | Very low | 103 Ų | 103 | 161.4 Ų | 161.4 | 67% | 0.669 | 83% | 0.826 | S | S | * | * | cis | -126.2 | 176.1 | -3.2 | 41.2 | -27.7 | 0 | 0 | 0 | 113.1 | ||||
| 182 | A | 40.2 | Very low | 41.9 | Very low | 95 Ų | 95 | 158.5 Ų | 158.5 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -151.2 | 108.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 183 | R | 37.2 | Very low | 42.2 | Very low | 222 Ų | 222 | 155.7 Ų | 155.7 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -84.2 | 138.2 | 160.3 | -68.6 | -175.4 | -179.2 | -170.4 | 0.3 | 108.2 | ||||
| 184 | V | 44.4 | Very low | 42.3 | Very low | 122 Ų | 122 | 160.5 Ų | 160.5 | 74% | 0.739 | 82% | 0.82 | S | S | * | * | trans | -128.8 | 120 | 158.5 | 177.5 | 0 | 0 | 0 | 0 | 106.3 | T186 | V184-T186 HydrophobicContact CG1-CG2 4.08Š| ||
| 185 | E | 44.6 | Very low | 42.3 | Very low | 162 Ų | 162 | 160.9 Ų | 160.9 | 76% | 0.757 | 82% | 0.816 | S | S | * | * | trans | -92 | 126.4 | 169.6 | -71 | 159.7 | 175.5 | 0 | 0 | 106.7 | ||||
| 186 | T | 45.3 | Very low | 42.1 | Very low | 126 Ų | 126 | 155.5 Ų | 155.5 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -134.6 | 99.5 | 169.7 | 44.3 | 0 | 0 | 0 | 0 | 108.3 | V184 | V184-T186 HydrophobicContact CG1-CG2 4.08Š| ||
| 187 | E | 41.9 | Very low | 42.4 | Very low | 197 Ų | 197 | 153.2 Ų | 153.2 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -72 | 134.8 | 159.9 | -54.9 | 177.6 | 138 | 0 | 0 | 108.2 | ||||
| 188 | A | 46.3 | Very low | 42.2 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | trans | -166.9 | 125.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 189 | E | 43.2 | Very low | 42 | Very low | 184 Ų | 184 | 154.9 Ų | 154.9 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | 60 | 101.4 | 139.7 | -70.5 | 144.8 | -152.5 | 0 | 0 | 119.9 | ||||
| 190 | D | 37.7 | Very low | 41.9 | Very low | 167 Ų | 167 | 160 Ų | 160 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -68 | 134.3 | 151.3 | -52.8 | -86.8 | 0 | 0 | 0 | 110.7 | ||||
| 191 | E | 44.6 | Very low | 41.6 | Very low | 190 Ų | 190 | 155.5 Ų | 155.5 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -132.5 | 124.8 | 159.6 | -72.9 | -158.5 | 138.4 | 0 | 0 | 111 | ||||
| 192 | E | 43.8 | Very low | 41.4 | Very low | 197 Ų | 197 | 162.7 Ų | 162.7 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -93.4 | 108 | 174.3 | -65 | -173.3 | 130.2 | 0 | 0 | 110.6 | E194 | E192-E194 PolarHBondContact O-N 2.77Š| ||
| 193 | E | 43.3 | Very low | 41.3 | Very low | 192 Ų | 192 | 162.9 Ų | 162.9 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | -89.4 | 87.5 | 177.1 | -162.9 | 179.2 | -162.3 | 0 | 0 | 112.4 | A195 | E193-A195 PolarHBondContact O-N 3.48Å; E193-A195 VanDerWaalsContact O-N 3.13Å | ||
| 194 | E | 41.3 | Very low | 41.4 | Very low | 184 Ų | 184 | 163.8 Ų | 163.8 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -78.8 | 88.6 | 175.6 | -166.3 | -173.9 | -150.2 | 0 | 0 | 112.4 | E192 A196 | E192-E194 PolarHBondContact O-N 2.77Å; E194-A196 PolarHBondContact O-N 3.4Å | ||
| 195 | A | 42 | Very low | 41.3 | Very low | 86 Ų | 86 | 168.4 Ų | 168.4 | 71% | 0.711 | 85% | 0.846 | S | S | * | * | trans | -73.4 | 83.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E193 | E193-A195 PolarHBondContact O-N 3.48Å; E193-A195 VanDerWaalsContact O-N 3.13Å | ||
| 196 | A | 37.7 | Very low | 40.9 | Very low | 92 Ų | 92 | 165.6 Ų | 165.6 | 76% | 0.76 | 85% | 0.851 | S | S | * | * | trans | -73.7 | 132.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E194 | E194-A196 PolarHBondContact O-N 3.4Š| ||
| 197 | I | 47.1 | Very low | 40.5 | Very low | 159 Ų | 159 | 164.1 Ų | 164.1 | 82% | 0.815 | 85% | 0.851 | S | S | * | * | trans | -118.6 | 133.2 | 176.9 | -62.7 | -178.7 | 0 | 0 | 0 | 110.4 | ||||
| 198 | P | 39.6 | Very low | 40.1 | Very low | 123 Ų | 123 | 159.5 Ų | 159.5 | 80% | 0.799 | 85% | 0.847 | S | S | * | * | trans | -85.6 | 150.9 | -156.6 | 32 | -37.7 | 0 | 0 | 0 | 116.3 | ||||
| 199 | R | 32.1 | Very low | 39.9 | Very low | 251 Ų | 251 | 162.1 Ų | 162.1 | 95% | 0.947 | 86% | 0.855 | S | S | * | * | trans | -78.1 | 125 | 172.9 | -68.2 | 177 | 171.4 | 172.3 | -2 | 112.3 | ||||
| 200 | R | 41.6 | Very low | 39.9 | Very low | 252 Ų | 252 | 160 Ų | 160 | 95% | 0.951 | 85% | 0.854 | S | S | * | * | trans | -136.9 | 123.2 | 147.7 | -78.5 | -164.5 | 171.3 | -149.2 | -2.7 | 110.1 | ||||
| 201 | G | 34.9 | Very low | 39.8 | Very low | 82 Ų | 82 | 158.1 Ų | 158.1 | 85% | 0.845 | 85% | 0.848 | S | S | * | * | trans | -97.1 | 160.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 202 | R | 39.8 | Very low | 40.1 | Very low | 254 Ų | 254 | 156.8 Ų | 156.8 | 96% | 0.958 | 85% | 0.846 | S | S | * | * | trans | -140 | 154.6 | 158.6 | -154.9 | 166.4 | -172.3 | -99.1 | 2 | 109.7 | ||||
| 203 | S | 38.7 | Very low | 40.9 | Very low | 99 Ų | 99 | 152.7 Ų | 152.7 | 69% | 0.692 | 84% | 0.837 | S | S | * | * | trans | -115 | 144.5 | -152.6 | 40.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 204 | R | 39.5 | Very low | 41.2 | Very low | 240 Ų | 240 | 149.5 Ų | 149.5 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | trans | 47.6 | 113.1 | 147 | -62.2 | 176.1 | 177.8 | 174.4 | -2 | 118.8 | ||||
| 205 | K | 42.5 | Very low | 41.7 | Very low | 219 Ų | 219 | 149.1 Ų | 149.1 | 95% | 0.952 | 83% | 0.831 | S | S | * | * | -152.7 | 165.4 | 116.4 | -116.1 | 176.9 | -178.8 | -176.6 | 0 | 110.4 | |||||
| 206 | A | 35.4 | Very low | 42.1 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -137.8 | 141.2 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 207 | A | 38.7 | Very low | 42.5 | Very low | 95 Ų | 95 | 154.8 Ų | 154.8 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -156.7 | 110.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 208 | A | 33.3 | Very low | 42.5 | Very low | 100 Ų | 100 | 155 Ų | 155 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | 76.6 | 84.5 | 63.5 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 209 | T | 40.9 | Very low | 42.5 | Very low | 135 Ų | 135 | 155.1 Ų | 155.1 | 83% | 0.828 | 84% | 0.839 | S | S | * | * | trans | -141.7 | 124 | 161.2 | -63.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 210 | V | 43.4 | Very low | 43.2 | Very low | 139 Ų | 139 | 154.8 Ų | 154.8 | 84% | 0.842 | 84% | 0.837 | S | S | * | * | trans | 15.5 | 135.9 | 157.7 | -169.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 211 | V | 36.1 | Very low | 43.5 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 78% | 0.782 | 83% | 0.827 | S | S | * | * | trans | -100.6 | 142.9 | -179.1 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 212 | L | 51.1 | Low | 44.2 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -127.5 | 149.6 | 153.2 | -82.9 | 169.9 | 0 | 0 | 0 | 109.4 | ||||
| 213 | P | 59.4 | Low | 44.4 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 145.4 | -163.2 | 31.8 | -36 | 0 | 0 | 0 | 114.3 | ||
| 214 | P | 51.1 | Low | 44.3 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 144.6 | 174.6 | 32.6 | -34.5 | 0 | 0 | 0 | 112.8 | ||
| 215 | Q | 51.9 | Low | 44.5 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 145 | 170.3 | -73.4 | -78.4 | -7.3 | 0 | 0 | 111.4 | Q217 | Q215-Q217 PolarHBondContact O-N 3.3Š|
| 216 | P | 49.2 | Very low | 44.5 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 121.5 | -173.4 | 29.7 | -34 | 0 | 0 | 0 | 112.8 | ||
| 217 | Q | 45.6 | Very low | 45 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 124.8 | 169.3 | -68.6 | -176.6 | -21.7 | 0 | 0 | 110.4 | Q215 T219 | Q215-Q217 PolarHBondContact O-N 3.3Å; Q217-T219 PolarHBondContact O-N 3.05Å |
| 218 | N | 47.4 | Very low | 45.2 | Very low | 164 Ų | 164 | 150 Ų | 150 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | -84.4 | 110.2 | -173.2 | -166.6 | 1.7 | 0 | 0 | 0 | 111.5 | ||||
| 219 | T | 40.8 | Very low | 45.7 | Very low | 126 Ų | 126 | 148 Ų | 148 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -91.8 | 105.1 | -173.9 | 44.8 | 0 | 0 | 0 | 0 | 112.4 | Q217 S221 | Q217-T219 PolarHBondContact O-N 3.05Å; T219-S221 PolarHBondContact O-N 3.19Å | ||
| 220 | R | 45.3 | Very low | 45.7 | Very low | 243 Ų | 243 | 149 Ų | 149 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | -76.3 | 107.2 | 174.8 | -165.8 | 175.1 | -173.2 | 176.1 | 3.2 | 110.7 | ||||
| 221 | S | 49.5 | Very low | 45.7 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -69.9 | 133.7 | -178 | -178.1 | 0 | 0 | 0 | 0 | 113.5 | T219 | T219-S221 PolarHBondContact O-N 3.19Š| ||
| 222 | T | 49.6 | Very low | 46.2 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -117.9 | 99.2 | 163.4 | 52.3 | 0 | 0 | 0 | 0 | 109.4 | A224 | T222-A224 PolarHBondContact O-N 2.91Š| ||
| 223 | R | 42.3 | Very low | 45.7 | Very low | 244 Ų | 244 | 145.1 Ų | 145.1 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -91.9 | 97.1 | -176.5 | -174.2 | -176.8 | -175.1 | 174.1 | 3.2 | 111.4 | ||||
| 224 | A | 37.2 | Very low | 44.8 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -126.2 | 105.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T222 | T222-A224 PolarHBondContact O-N 2.91Š| ||
| 225 | A | 43.5 | Very low | 44.5 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -158.9 | 125.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 226 | A | 42.9 | Very low | 44.2 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 46.7 | 110.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 227 | R | 46.2 | Very low | 44.1 | Very low | 254 Ų | 254 | 147.2 Ų | 147.2 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | -129.2 | 137.5 | 125.4 | -72.5 | -164.2 | 172.2 | -153.4 | -3.2 | 109.6 | |||||
| 228 | K | 43.2 | Very low | 43.9 | Very low | 216 Ų | 216 | 147.6 Ų | 147.6 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -94.7 | 161.1 | 169.3 | -75.9 | -177.3 | 170.9 | -174.5 | 0 | 109.4 | ||||
| 229 | G | 42.9 | Very low | 43.6 | Very low | 57 Ų | 57 | 143.4 Ų | 143.4 | 59% | 0.588 | 81% | 0.805 | S | S | * | * | trans | 141.8 | 95.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 230 | D | 41.9 | Very low | 43.7 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | 57.8 | 158.4 | 136.3 | -56.4 | -55.8 | 0 | 0 | 0 | 121.5 | ||||
| 231 | V | 42.5 | Very low | 43.7 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | cis | -165.9 | 161.2 | -44.6 | 107.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 232 | L | 46.2 | Very low | 43.4 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | 71.2 | 148.7 | -172.6 | -43.4 | 179.3 | 0 | 0 | 0 | 114.5 | ||||
| 233 | G | 40.4 | Very low | 42.9 | Very low | 61 Ų | 61 | 149.8 Ų | 149.8 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | cis | 166.2 | 151.6 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 234 | C | 41.7 | Very low | 43 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | 64.3 | 154.3 | 178.2 | -48 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 235 | E | 43.9 | Very low | 43.3 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | cis | 164.8 | 136.1 | -43.3 | -100.2 | 176.8 | 90.3 | 0 | 0 | 107.2 | ||||
| 236 | N | 45.8 | Very low | 43.3 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | 68 | 158.7 | 165.6 | -48.4 | -29.7 | 0 | 0 | 0 | 115.9 | ||||
| 237 | D | 47.9 | Very low | 43.1 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | cis | -144.5 | 170.7 | 16 | -138.6 | -45.9 | 0 | 0 | 0 | 113.3 | ||||
| 238 | E | 40.7 | Very low | 43.1 | Very low | 191 Ų | 191 | 150.9 Ų | 150.9 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -85.3 | 140.3 | -177.1 | -65.4 | -162.2 | 132.9 | 0 | 0 | 114.4 | ||||
| 239 | G | 42.4 | Very low | 42.9 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -136.8 | 71.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 240 | K | 41.9 | Very low | 42.7 | Very low | 211 Ų | 211 | 153 Ų | 153 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -92.3 | 117.1 | -175.3 | 175.5 | -175.6 | 178.7 | 178.9 | 0 | 113.2 | ||||
| 241 | V | 45.8 | Very low | 42.8 | Very low | 146 Ų | 146 | 150.8 Ų | 150.8 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | -136.6 | 157.5 | 175 | -143.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 242 | M | 42.7 | Very low | 42.5 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | trans | -82 | 150.9 | -157.9 | -83.8 | -79.3 | -162 | 0 | 0 | 118.3 | ||||
| 243 | R | 38.5 | Very low | 42.5 | Very low | 221 Ų | 221 | 155.1 Ų | 155.1 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -25.6 | 140.3 | 150.2 | -62 | 168.6 | 165.2 | -177.6 | -5.3 | 116.9 | ||||
| 244 | T | 44.3 | Very low | 42.3 | Very low | 154 Ų | 154 | 157.3 Ų | 157.3 | 95% | 0.945 | 82% | 0.824 | S | S | * | * | 165.8 | 153.9 | 120.1 | 34.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 245 | G | 43.3 | Very low | 42.2 | Very low | 60 Ų | 60 | 157.3 Ų | 157.3 | 62% | 0.619 | 83% | 0.826 | S | S | * | * | cis | 163.4 | 151.6 | -11.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 246 | R | 43.5 | Very low | 42.1 | Very low | 266 Ų | 266 | 154.4 Ų | 154.4 | 100% | 1.004 | 83% | 0.829 | S | S | * | * | trans | 73.4 | 146.2 | 178.9 | -44.8 | 171.4 | -175.4 | -152.5 | -1.6 | 114.6 | ||||
| 247 | G | 40.3 | Very low | 42.1 | Very low | 66 Ų | 66 | 159.4 Ų | 159.4 | 68% | 0.68 | 84% | 0.837 | S | S | * | * | cis | 158.2 | 165.8 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 248 | R | 45.5 | Very low | 41.9 | Very low | 264 Ų | 264 | 160.3 Ų | 160.3 | 100% | 0.996 | 84% | 0.842 | S | S | * | * | trans | 73.4 | 143.6 | 177.3 | -46.7 | 176 | -178.7 | -160.6 | -0.9 | 115.4 | ||||
| 249 | G | 39.7 | Very low | 41.9 | Very low | 71 Ų | 71 | 158.3 Ų | 158.3 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | cis | 142.5 | 128.7 | -17.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 250 | R | 37.5 | Very low | 41.8 | Very low | 246 Ų | 246 | 161.5 Ų | 161.5 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | trans | 64.2 | 165 | 179.2 | -90.3 | -178 | -179.3 | -128.1 | 1.1 | 113.8 | ||||
| 251 | V | 44.9 | Very low | 41.8 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 67% | 0.667 | 84% | 0.836 | S | S | * | * | cis | -142.7 | 142.5 | 26.2 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | R253 | V251-R253 HydrophobicContact CG1-CG 4.36Š| ||
| 252 | T | 36.5 | Very low | 41.4 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -80.6 | 135.7 | 160.4 | 38.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 253 | R | 45.3 | Very low | 41.1 | Very low | 240 Ų | 240 | 152.2 Ų | 152.2 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | trans | -133.4 | 136.2 | 178.7 | -116.3 | -179.5 | 173.2 | -176.1 | -4.4 | 113 | V251 | V251-R253 HydrophobicContact CG1-CG 4.36Š| ||
| 254 | S | 37 | Very low | 41.2 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -119.3 | 166.8 | -178.4 | -45.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 255 | S | 38.7 | Very low | 41.1 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | 70.3 | 107.5 | 157.6 | -53.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 256 | A | 42.5 | Very low | 41.2 | Very low | 95 Ų | 95 | 157 Ų | 157 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | -176.5 | 115.1 | 122.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 257 | R | 44.4 | Very low | 41.1 | Very low | 244 Ų | 244 | 153 Ų | 153 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | 45.6 | 99.2 | 68.5 | -74.2 | -167.2 | 176.7 | -174.9 | -1.3 | 113.1 | |||||
| 258 | N | 45 | Very low | 41.2 | Very low | 172 Ų | 172 | 158.9 Ų | 158.9 | 92% | 0.92 | 84% | 0.836 | S | S | * | * | trans | -132.3 | 134.5 | 144.4 | -104.5 | -0.3 | 0 | 0 | 0 | 107.1 | ||||
| 259 | D | 39.9 | Very low | 40.9 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -153.8 | 167 | -173.2 | -151.9 | -27.5 | 0 | 0 | 0 | 107.2 | ||||
| 260 | T | 41.3 | Very low | 40.9 | Very low | 142 Ų | 142 | 155.7 Ų | 155.7 | 87% | 0.871 | 83% | 0.834 | S | S | * | * | trans | 68.1 | 138.3 | -176.7 | 69.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 261 | G | 41.2 | Very low | 41.2 | Very low | 78 Ų | 78 | 150.2 Ų | 150.2 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 160.9 | 67.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 262 | V | 37.2 | Very low | 40.9 | Very low | 131 Ų | 131 | 149.4 Ų | 149.4 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -109 | 164.6 | -178.3 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 263 | T | 37.1 | Very low | 41.2 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | trans | 83.2 | 145 | -179.8 | 74.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 264 | Q | 40.9 | Very low | 41 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | cis | -146.5 | -173.2 | -0.7 | -137.6 | 164.9 | -27.9 | 0 | 0 | 113.1 | ||||
| 265 | E | 41.7 | Very low | 41.2 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -80.2 | 155.3 | -172.2 | -58.9 | 146 | 143.1 | 0 | 0 | 113.4 | ||||
| 266 | E | 44.3 | Very low | 41.7 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | trans | -161.1 | 163.5 | 136.8 | -113.2 | 167.6 | -152.4 | 0 | 0 | 110.1 | ||||
| 267 | E | 43.3 | Very low | 41.8 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -123.7 | -177.8 | -153.9 | -160.4 | 174.6 | 171.1 | 0 | 0 | 113.7 | ||||
| 268 | E | 41.4 | Very low | 41.8 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 79.4 | 143.3 | 167.7 | -52.3 | -169.7 | 174.9 | 0 | 0 | 118.5 | ||||
| 269 | G | 40 | Very low | 41.6 | Very low | 80 Ų | 80 | 144.1 Ų | 144.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | 152 | 26.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 270 | E | 39.6 | Very low | 41.7 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -71.1 | 124.2 | -179.1 | -177.5 | -166 | 163.2 | 0 | 0 | 113.8 | ||||
| 271 | V | 43.6 | Very low | 41.7 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -149.3 | 132.4 | 146.1 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | V273 | V271-V273 HydrophobicContact CG1-CG2 4.1Š| ||
| 272 | A | 37.4 | Very low | 41.9 | Very low | 94 Ų | 94 | 141.8 Ų | 141.8 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -131.6 | 135.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 273 | V | 43.5 | Very low | 42.1 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -138.3 | 145.8 | 176.2 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | V271 | V271-V273 HydrophobicContact CG1-CG2 4.1Š| ||
| 274 | A | 40.1 | Very low | 42.7 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 61% | 0.612 | 79% | 0.792 | S | S | * | * | trans | -145.5 | -179 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 275 | R | 41.6 | Very low | 42.8 | Very low | 207 Ų | 207 | 137.5 Ų | 137.5 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 85.5 | 158.8 | -178.7 | -45.7 | 177.4 | -175.4 | 86.1 | 1.3 | 113.7 | ||||
| 276 | D | 49.7 | Very low | 43.1 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -135.8 | -163.2 | 11.6 | -86.4 | -70.3 | 0 | 0 | 0 | 111.7 | ||||
| 277 | R | 45.2 | Very low | 43.1 | Very low | 217 Ų | 217 | 134.5 Ų | 134.5 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | -177 | 124.6 | -72 | -176.6 | -176.9 | -163 | 164.3 | 4 | 113.4 | |||||
| 278 | E | 43.9 | Very low | 43.2 | Very low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -160.9 | 179.1 | 145.6 | -116.4 | -145.1 | 91.1 | 0 | 0 | 107.6 | T280 | E278-T280 PolarHBondContact OE1-OG1 2.91Š| ||
| 279 | G | 41.8 | Very low | 43.8 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | cis | 158.8 | 157.1 | -1.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 280 | T | 40.7 | Very low | 44.6 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -163.3 | 153.3 | -9.2 | -81.4 | 0 | 0 | 0 | 0 | 108.1 | E278 | E278-T280 PolarHBondContact OE1-OG1 2.91Š| ||
| 281 | A | 41.9 | Very low | 44.9 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 71.7 | 149.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 282 | A | 46.1 | Very low | 45.1 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | cis | -159.8 | 166.6 | -16.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 283 | G | 39.6 | Very low | 45.6 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -169.4 | 161.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 284 | G | 50.3 | Low | 45.8 | Very low | 63 Ų | 63 | 129.1 Ų | 129.1 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | -132.3 | 147.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 285 | K | 44 | Very low | 46 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | 74.1 | 128.8 | 71.9 | -71.7 | -169.3 | 161.3 | -139.9 | 0 | 112.9 | |||||
| 286 | D | 47.4 | Very low | 46.2 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | cis | -161.2 | 164.6 | 3 | -97.1 | -33 | 0 | 0 | 0 | 110.4 | ||||
| 287 | E | 44.9 | Very low | 46 | Very low | 186 Ų | 186 | 129 Ų | 129 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 65.2 | 157.1 | 156.5 | -70.2 | -161.8 | 118.2 | 0 | 0 | 121 | ||||
| 288 | V | 44.8 | Very low | 46.3 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 67% | 0.667 | 80% | 0.796 | S | S | * | * | cis | -159.5 | 140.6 | -8.8 | 121.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 289 | V | 53.4 | Low | 46.4 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 40.6 | 138.8 | 148.4 | -175.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 290 | P | 58.3 | Low | 46.8 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -108.7 | -175.8 | 174.6 | 43.3 | -36.7 | 0 | 0 | 0 | 115.7 | ||||
| 291 | A | 45.9 | Very low | 47.1 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -137.1 | 162.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 292 | A | 46.3 | Very low | 47.1 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | -128.4 | 159.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 293 | G | 47.5 | Very low | 47.1 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -148.1 | 138.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 294 | R | 48.2 | Very low | 47.5 | Very low | 226 Ų | 226 | 147.2 Ų | 147.2 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -153.5 | 120.7 | -161.4 | 176.2 | -163 | -174.4 | -133.8 | 8.6 | 113.5 | ||||
| 295 | V | 44.4 | Very low | 47.3 | Very low | 148 Ų | 148 | 148 Ų | 148 | 90% | 0.897 | 84% | 0.84 | S | S | * | * | trans | -143.6 | 142.6 | 160.4 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 296 | Q | 47.1 | Very low | 47.7 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 79% | 0.794 | 85% | 0.848 | S | S | * | * | trans | -130.5 | 138.4 | 173.7 | -66.8 | 179.2 | -39.6 | 0 | 0 | 111 | ||||
| 297 | A | 44.3 | Very low | 47.7 | Very low | 97 Ų | 97 | 149.6 Ų | 149.6 | 80% | 0.802 | 86% | 0.856 | S | S | * | * | trans | 179 | 156.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 298 | K | 51.7 | Low | 47.7 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 82% | 0.822 | 86% | 0.859 | S | S | * | * | cis | -160.7 | 119.5 | -33.5 | -117.9 | 179.1 | -177.2 | 174.4 | 0 | 108.4 | ||||
| 299 | R | 45.7 | Very low | 47.5 | Very low | 233 Ų | 233 | 151.3 Ų | 151.3 | 88% | 0.879 | 86% | 0.86 | S | S | * | * | trans | 8.6 | 130 | 149.3 | 49.2 | 163 | 77.6 | 170.7 | 2.3 | 120.3 | ||||
| 300 | S | 51.1 | Low | 47.2 | Very low | 129 Ų | 129 | 152 Ų | 152 | 90% | 0.902 | 87% | 0.865 | S | S | * | * | -163.8 | 164.2 | 125.9 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 301 | R | 46.1 | Very low | 46.4 | Very low | 256 Ų | 256 | 152.9 Ų | 152.9 | 97% | 0.966 | 87% | 0.868 | S | S | * | * | trans | -114 | 150.2 | -175.5 | -78.3 | 175.3 | 165.4 | 168.9 | -6.5 | 111.2 | ||||
| 302 | G | 42.9 | Very low | 46.2 | Very low | 85 Ų | 85 | 152.3 Ų | 152.3 | 88% | 0.876 | 86% | 0.863 | S | S | * | * | trans | 114 | 127.6 | 137.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 303 | G | 45.8 | Very low | 46.1 | Very low | 81 Ų | 81 | 152.2 Ų | 152.2 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | trans | 168.7 | 113.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 304 | R | 48.1 | Very low | 46.1 | Very low | 264 Ų | 264 | 153.6 Ų | 153.6 | 100% | 0.996 | 85% | 0.848 | S | S | * | * | trans | -94.7 | 131 | 173.7 | -71 | 179.2 | 174.3 | 177.2 | -2.6 | 109.2 | ||||
| 305 | G | 45.8 | Very low | 46.1 | Very low | 80 Ų | 80 | 154.1 Ų | 154.1 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | trans | -144.7 | 136.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 306 | R | 53.1 | Low | 46 | Very low | 261 Ų | 261 | 156.3 Ų | 156.3 | 99% | 0.985 | 85% | 0.848 | S | S | * | * | trans | -94.8 | 136 | 176 | -65.3 | 176.8 | 173.5 | -177.4 | -3.2 | 109.3 | ||||
| 307 | G | 46.3 | Very low | 45.7 | Very low | 77 Ų | 77 | 151.4 Ų | 151.4 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | -167.6 | 72.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 308 | R | 45.8 | Very low | 45.6 | Very low | 248 Ų | 248 | 155.4 Ų | 155.4 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | trans | 29.4 | 120.2 | 151 | -161.6 | 175.1 | -170.8 | -134.7 | 3.2 | 119.3 | ||||
| 309 | A | 39 | Very low | 45.4 | Very low | 84 Ų | 84 | 154.5 Ų | 154.5 | 69% | 0.694 | 84% | 0.843 | S | S | * | * | trans | -79.7 | 144.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 310 | T | 48.7 | Very low | 45.6 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | -146.5 | 98.3 | 150.1 | 49 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 311 | T | 41.2 | Very low | 45.2 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | trans | -105.5 | 116.7 | -179.5 | 45.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 312 | A | 42.1 | Very low | 45.1 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -122.1 | 122.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 313 | S | 42.8 | Very low | 45.3 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 66.5 | 155.4 | 160.1 | -155.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 314 | T | 48.4 | Very low | 45.3 | Very low | 109 Ų | 109 | 146 Ų | 146 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | 77.7 | 138.2 | 168.3 | 79.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 315 | R | 47.2 | Very low | 45.2 | Very low | 238 Ų | 238 | 140.6 Ų | 140.6 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | 75.2 | 151.5 | 166.7 | -48.2 | 171.6 | -164.6 | -155.4 | -1.2 | 116.6 | ||||
| 316 | K | 42.2 | Very low | 45.4 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | cis | -178.8 | 123.8 | -38.7 | 165.7 | 176.8 | 175.1 | -174.5 | 0 | 106.2 | ||||
| 317 | A | 42.4 | Very low | 45 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 56% | 0.562 | 79% | 0.792 | S | S | * | * | trans | 65.2 | 160.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 318 | E | 42.1 | Very low | 44.9 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 58.4 | 95.6 | 160.1 | -65.4 | 143.6 | -107.3 | 0 | 0 | 117.8 | ||||
| 319 | D | 46.1 | Very low | 44.5 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | -172.4 | 171.9 | 106.7 | -131.2 | -37.7 | 0 | 0 | 0 | 114.2 | |||||
| 320 | A | 50.1 | Low | 44.8 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | 65.1 | 96.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 321 | V | 43.4 | Very low | 44.7 | Very low | 131 Ų | 131 | 149 Ų | 149 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 6 | 127.8 | 133.6 | -175.2 | 0 | 0 | 0 | 0 | 118.4 | E323 | V321-E323 HydrophobicContact CG1-CG 4.44Š| ||
| 322 | A | 44 | Very low | 45 | Very low | 82 Ų | 82 | 152 Ų | 152 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -149.6 | 79.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N324 | A322-N324 PolarHBondContact O-N 2.95Å; A322-N324 PolarHBondContact O-ND2 3.27Å | ||
| 323 | E | 45.8 | Very low | 45 | Very low | 165 Ų | 165 | 155.2 Ų | 155.2 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -61.9 | 124.8 | 168.1 | -67.7 | 170.7 | 162.8 | 0 | 0 | 109 | V321 | V321-E323 HydrophobicContact CG1-CG 4.44Š| ||
| 324 | N | 47.5 | Very low | 45.1 | Very low | 146 Ų | 146 | 159.3 Ų | 159.3 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | -116.4 | 50.3 | 177.9 | -81 | -84.7 | 0 | 0 | 0 | 110.3 | A322 E326 | A322-N324 PolarHBondContact O-N 2.95Å; A322-N324 PolarHBondContact O-ND2 3.27Å; N324-E326 PolarHBondContact O-N 3.5Å | ||
| 325 | D | 45 | Very low | 44.9 | Very low | 150 Ų | 150 | 159 Ų | 159 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -81.2 | 55 | 176.1 | -76.9 | -42.5 | 0 | 0 | 0 | 112.2 | ||||
| 326 | E | 50.5 | Low | 44.6 | Very low | 184 Ų | 184 | 155.8 Ų | 155.8 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -135.9 | 72.8 | 175.6 | -72.1 | -161.6 | 152.7 | 0 | 0 | 112.5 | N324 | N324-E326 PolarHBondContact O-N 3.5Š| ||
| 327 | N | 44.8 | Very low | 44.5 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -159 | 34.6 | 154.8 | -147.7 | 74.8 | 0 | 0 | 0 | 116.8 | ||||
| 328 | E | 43 | Very low | 44.4 | Very low | 185 Ų | 185 | 157.8 Ų | 157.8 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -98.3 | 30.2 | 179.7 | -71 | -143.3 | 136.8 | 0 | 0 | 115.4 | ||||
| 329 | Q | 38.4 | Very low | 44.2 | Very low | 150 Ų | 150 | 158.3 Ų | 158.3 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -139.8 | 33.6 | -166.2 | -151.4 | 63.3 | 77.1 | 0 | 0 | 117.3 | ||||
| 330 | E | 44.9 | Very low | 44.2 | Very low | 197 Ų | 197 | 161.7 Ų | 161.7 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -145.6 | 37.2 | 176.5 | -136.7 | 169.4 | -122.6 | 0 | 0 | 117 | ||
| 331 | E | 47.3 | Very low | 43.8 | Very low | 195 Ų | 195 | 161.7 Ų | 161.7 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -139.5 | 55.5 | 163.7 | -157.8 | 164.4 | -130.6 | 0 | 0 | 112.2 | ||
| 332 | R | 46 | Very low | 43.4 | Very low | 205 Ų | 205 | 159 Ų | 159 | 77% | 0.774 | 83% | 0.831 | S | S | * | * | trans | -134.2 | 27.7 | 175.9 | -65.6 | -168.5 | -172.5 | 164.5 | 8.1 | 114.4 | ||||
| 333 | D | 43.9 | Very low | 43.4 | Very low | 162 Ų | 162 | 160.7 Ų | 160.7 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | trans | -137.3 | 47.8 | -176.6 | -92.1 | -51.7 | 0 | 0 | 0 | 114 | ||||
| 334 | M | 44.6 | Very low | 43.4 | Very low | 195 Ų | 195 | 159 Ų | 159 | 96% | 0.961 | 84% | 0.841 | S | S | * | * | trans | -139.5 | 67.9 | 165 | -71.8 | -157.8 | -172.7 | 0 | 0 | 111.7 | ||||
| 335 | A | 42.6 | Very low | 43.2 | Very low | 104 Ų | 104 | 160.3 Ų | 160.3 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | trans | -139 | 42 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 336 | D | 40.9 | Very low | 43.1 | Very low | 169 Ų | 169 | 164.1 Ų | 164.1 | 90% | 0.904 | 85% | 0.851 | S | S | * | * | trans | -152.6 | 154.1 | 160.1 | -160.6 | 0.2 | 0 | 0 | 0 | 111.7 | ||||
| 337 | G | 40.1 | Very low | 42.7 | Very low | 62 Ų | 62 | 162.2 Ų | 162.2 | 64% | 0.639 | 85% | 0.851 | S | S | * | * | trans | 104.3 | 23.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 338 | R | 40.7 | Very low | 42.6 | Very low | 242 Ų | 242 | 161.7 Ų | 161.7 | 91% | 0.913 | 85% | 0.847 | S | S | * | * | trans | -160.5 | 96.2 | 151.1 | -122 | 174.9 | -168.4 | -157.7 | 2.2 | 118 | ||||
| 339 | E | 38.6 | Very low | 42.4 | Very low | 191 Ų | 191 | 157 Ų | 157 | 89% | 0.893 | 84% | 0.84 | S | S | * | * | trans | -76.7 | 118.2 | 147.5 | -65.2 | -173 | 135.6 | 0 | 0 | 110 | ||||
| 340 | R | 46.8 | Very low | 42.8 | Very low | 241 Ų | 241 | 155.6 Ų | 155.6 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | trans | -156.1 | 148.1 | 136.3 | -70.2 | -149 | 175.7 | -145.1 | -8.3 | 108.1 | ||||
| 341 | G | 40.1 | Very low | 42.8 | Very low | 82 Ų | 82 | 153.5 Ų | 153.5 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | -64.4 | 164.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 342 | G | 36.7 | Very low | 42.8 | Very low | 73 Ų | 73 | 151.8 Ų | 151.8 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | cis | 134.8 | 97.8 | 7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 343 | S | 43.1 | Very low | 42.4 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | trans | -161.1 | 125.6 | 173.9 | -78.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 344 | P | 46.6 | Very low | 42.5 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 163.7 | 177.4 | 31.2 | -34.5 | 0 | 0 | 0 | 112.3 | ||
| 345 | L | 42.4 | Very low | 42.4 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133.8 | -168.8 | -64.4 | 168.1 | 0 | 0 | 0 | 113.8 | ||
| 346 | R | 43.5 | Very low | 42.8 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 121.2 | 167.3 | -74.1 | 178.4 | 171.6 | 163.6 | -3.3 | 109.6 | L348 | R346-L348 PolarHBondContact O-N 2.84Å; R346-L348 VanDerWaalsContact O-N 3.1Å |
| 347 | V | 41.1 | Very low | 43 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -70.3 | 102.4 | 165.5 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | A349 | V347-A349 PolarHBondContact O-N 3.49Š| ||
| 348 | L | 42.6 | Very low | 43.2 | Very low | 147 Ų | 147 | 150 Ų | 150 | 77% | 0.77 | 83% | 0.831 | S | S | * | * | trans | -79.7 | 99.7 | 172.5 | -67.9 | 179.4 | 0 | 0 | 0 | 109.4 | R346 V350 | R346-L348 PolarHBondContact O-N 2.84Å; R346-L348 VanDerWaalsContact O-N 3.1Å; L348-V350 PolarHBondContact O-N 3.08Å | ||
| 349 | A | 38.7 | Very low | 43.5 | Very low | 86 Ų | 86 | 145.7 Ų | 145.7 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | trans | -66.9 | 108.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | V347 | V347-A349 PolarHBondContact O-N 3.49Š| ||
| 350 | V | 47.9 | Very low | 43.6 | Very low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 83% | 0.825 | S | S | * | * | trans | -81.7 | 121.5 | 170.8 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | L348 D352 | L348-V350 PolarHBondContact O-N 3.08Å; V350-D352 PolarHBondContact O-N 3.36Å | ||
| 351 | N | 44.7 | Very low | 43.4 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -80 | 104 | 173.7 | -64.7 | -50.2 | 0 | 0 | 0 | 109.3 | G353 | N351-G353 PolarHBondContact O-N 3.45Å; N351-G353 VanDerWaalsContact O-N 3.15Å | ||
| 352 | D | 47.8 | Very low | 43.9 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -74.9 | 96.3 | 162.3 | -87.4 | -48.4 | 0 | 0 | 0 | 109 | V350 S354 | V350-D352 PolarHBondContact O-N 3.36Å; D352-S354 PolarHBondContact O-N 2.94Å | ||
| 353 | G | 36.7 | Very low | 44.2 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -79.8 | 107.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N351 | N351-G353 PolarHBondContact O-N 3.45Å; N351-G353 VanDerWaalsContact O-N 3.15Å | ||
| 354 | S | 46.3 | Very low | 44.5 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -100.7 | 110.5 | 170 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | D352 | D352-S354 PolarHBondContact O-N 2.94Š| ||
| 355 | E | 42.6 | Very low | 44.7 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -74.8 | 124.9 | 169.6 | -171.4 | 171.6 | 111.2 | 0 | 0 | 109.2 | ||||
| 356 | V | 51.3 | Low | 44.6 | Very low | 129 Ų | 129 | 144 Ų | 144 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -135.4 | 129.4 | 171.4 | -73.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 357 | D | 45.5 | Very low | 44.6 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -74.3 | 157.5 | -167.1 | -112.6 | -47.3 | 0 | 0 | 0 | 114.6 | ||||
| 358 | K | 44.4 | Very low | 44.5 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -104 | 117 | 178.5 | -61.8 | 170.4 | -173.2 | 165.2 | 0 | 111.1 | ||||
| 359 | V | 46.3 | Very low | 44.7 | Very low | 152 Ų | 152 | 134.9 Ų | 134.9 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -135.2 | 134.3 | 150.8 | -173.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 360 | A | 40.5 | Very low | 45 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -139 | 136 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 361 | T | 43.7 | Very low | 44.7 | Very low | 125 Ų | 125 | 139 Ų | 139 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -154.5 | 117.7 | 157.8 | 46.7 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 362 | E | 48.6 | Very low | 44.7 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | 61.9 | 132.1 | 76.4 | -62.6 | -169.5 | 159.2 | 0 | 0 | 112.2 | |||||
| 363 | D | 44 | Very low | 44.4 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | cis | -148 | 172.4 | 15.3 | -156.5 | 19.7 | 0 | 0 | 0 | 115.9 | ||||
| 364 | K | 49.3 | Very low | 44.9 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 64% | 0.635 | 81% | 0.808 | S | S | * | * | trans | -26.4 | 150.6 | 173.5 | -61.4 | 159 | -155.9 | 71.8 | 0 | 118.9 | ||||
| 365 | L | 50.4 | Low | 44.7 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | -176.8 | 147.9 | 92.6 | -93.8 | 175.1 | 0 | 0 | 0 | 114.2 | |||||
| 366 | D | 41.2 | Very low | 45.1 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -88.8 | 158.8 | -176.6 | -55.7 | -92.4 | 0 | 0 | 0 | 114.6 | ||||
| 367 | G | 42.2 | Very low | 44.7 | Very low | 80 Ų | 80 | 145.2 Ų | 145.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -162.8 | 113.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 368 | T | 39.4 | Very low | 44.4 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -114.6 | 138.8 | -165.1 | 56.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 369 | S | 46.6 | Very low | 44.4 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -172.2 | 134 | 150.1 | -79 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 370 | K | 46 | Very low | 44 | Very low | 203 Ų | 203 | 142 Ų | 142 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | cis | 72.5 | 123.4 | 27.2 | -161 | -179.1 | -177.6 | -173.6 | 0 | 112.4 | ||||
| 371 | A | 41.6 | Very low | 43.9 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | cis | -129 | -161.2 | 0.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 372 | S | 43.4 | Very low | 43.6 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | cis | -153.6 | 170.2 | 9.1 | 43.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 373 | M | 41.5 | Very low | 43 | Very low | 166 Ų | 166 | 145.8 Ų | 145.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -81.3 | 154.9 | 177.4 | -59 | 145.8 | 94.9 | 0 | 0 | 111.6 | ||||
| 374 | E | 48.8 | Very low | 42.7 | Very low | 200 Ų | 200 | 146 Ų | 146 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | -159.4 | 143.8 | 129.1 | -110.9 | 160.4 | -152.4 | 0 | 0 | 109.2 | |||||
| 375 | D | 42.3 | Very low | 42.5 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -89.3 | 148.5 | -176.8 | -68.9 | -87.2 | 0 | 0 | 0 | 111.6 | ||||
| 376 | E | 49.5 | Very low | 41.9 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | 170.1 | 110.6 | 121.6 | -87.7 | -129.2 | 107.9 | 0 | 0 | 112.6 | |||||
| 377 | K | 43.1 | Very low | 42 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | 73.9 | 125.2 | 114.5 | -168.6 | 171.1 | 174.5 | -175.4 | 0 | 122 | |||||
| 378 | M | 38.6 | Very low | 42.4 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | trans | 86.8 | 130.9 | 152.1 | -67 | -92.7 | -84.2 | 0 | 0 | 121.6 | ||||
| 379 | E | 44.6 | Very low | 42.4 | Very low | 152 Ų | 152 | 157.3 Ų | 157.3 | 71% | 0.71 | 82% | 0.816 | S | S | * | * | trans | 79.2 | 105.2 | 139 | -71.5 | 170.8 | 167.2 | 0 | 0 | 122.7 | ||||
| 380 | D | 38.5 | Very low | 42 | Very low | 150 Ų | 150 | 154.9 Ų | 154.9 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | 73.8 | 135.4 | 133.5 | -74.5 | 1 | 0 | 0 | 0 | 124.1 | T382 | D380-T382 PolarHBondContact O-N 3.41Š| ||
| 381 | L | 37.9 | Very low | 41.7 | Very low | 177 Ų | 177 | 151.5 Ų | 151.5 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -86.3 | 92.5 | -170.3 | -66.3 | 167 | 0 | 0 | 0 | 110.9 | L383 | L381-L383 PolarHBondContact O-N 3.35Š| ||
| 382 | T | 38.3 | Very low | 41.6 | Very low | 122 Ų | 122 | 152 Ų | 152 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -75.2 | 123.9 | 169.9 | 43.9 | 0 | 0 | 0 | 0 | 111.5 | D380 T384 | D380-T382 PolarHBondContact O-N 3.41Å; T382-T384 PolarHBondContact O-N 2.87Å | ||
| 383 | L | 36.5 | Very low | 41.4 | Very low | 176 Ų | 176 | 153.7 Ų | 153.7 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -60.2 | 122.6 | 172.8 | -74.2 | 164.1 | 0 | 0 | 0 | 110 | L381 | L381-L383 PolarHBondContact O-N 3.35Š| ||
| 384 | T | 38 | Very low | 41.3 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 73% | 0.73 | 81% | 0.812 | S | S | * | * | trans | -115.7 | 102.7 | 176.4 | 38.4 | 0 | 0 | 0 | 0 | 110.9 | T382 R386 | T382-T384 PolarHBondContact O-N 2.87Å; T384-R386 PolarHBondContact O-N 3.47Å | ||
| 385 | E | 43.9 | Very low | 41.3 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -62.9 | 113.4 | 172.3 | -64.4 | -175.6 | 125.5 | 0 | 0 | 110.3 | A387 | E385-A387 VanDerWaalsContact C-N 3.29Å; E385-A387 PolarHBondContact O-N 2.92Å | ||
| 386 | R | 38.5 | Very low | 41 | Very low | 244 Ų | 244 | 153.4 Ų | 153.4 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -78.9 | 78.1 | 173.7 | -87.4 | -174.8 | 166.3 | 162.6 | -2 | 111.2 | T384 I388 | T384-R386 PolarHBondContact O-N 3.47Å; R386-I388 PolarHBondContact O-N 3.49Å | ||
| 387 | A | 43.4 | Very low | 40.5 | Very low | 93 Ų | 93 | 150.6 Ų | 150.6 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -59.2 | 128.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E385 K389 | E385-A387 VanDerWaalsContact C-N 3.29Å; E385-A387 PolarHBondContact O-N 2.92Å; A387-K389 PolarHBondContact O-N 3.37Å | ||
| 388 | I | 49.9 | Very low | 40.5 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -75.2 | 121.8 | -179.3 | -62 | 172.9 | 0 | 0 | 0 | 109.3 | R386 | R386-I388 PolarHBondContact O-N 3.49Š| ||
| 389 | K | 39.7 | Very low | 40.7 | Very low | 205 Ų | 205 | 147 Ų | 147 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | trans | -127.9 | 116.2 | 177.8 | 179.9 | -178.7 | -179 | 178.8 | 0 | 109.9 | A387 | A387-K389 PolarHBondContact O-N 3.37Š| ||
| 390 | G | 37.9 | Very low | 40.8 | Very low | 65 Ų | 65 | 147.5 Ų | 147.5 | 67% | 0.67 | 84% | 0.836 | S | S | * | * | trans | 165.5 | 75.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 391 | S | 40.5 | Very low | 40.9 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 92% | 0.923 | 84% | 0.84 | S | S | * | * | -176 | 132 | 126.9 | -80.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 392 | A | 38.8 | Very low | 40.9 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -113.2 | 140.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 393 | N | 38.9 | Very low | 40.8 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 81% | 0.813 | 84% | 0.838 | S | S | * | * | trans | -146.4 | 116.4 | 160.3 | -169.7 | 13.1 | 0 | 0 | 0 | 108.6 | ||||
| 394 | V | 39.2 | Very low | 41.2 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 76% | 0.764 | 83% | 0.833 | S | S | * | * | trans | -121.1 | 121.5 | -177.5 | 173.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 395 | K | 49.4 | Very low | 41.5 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | trans | -140.2 | 146.2 | 159 | -71 | -161.7 | 174.9 | -173.2 | 0 | 110.3 | ||||
| 396 | H | 35.6 | Very low | 41.2 | Very low | 182 Ų | 182 | 143 Ų | 143 | 84% | 0.843 | 84% | 0.841 | S | S | * | * | trans | -71.2 | 151.4 | -167.2 | -57.3 | -99.7 | 0 | 0 | 0 | 114.8 | ||||
| 397 | A | 39 | Very low | 41.4 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | -167 | 137.7 | 112.5 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 398 | P | 43 | Very low | 41.2 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | trans | -118.3 | 136.2 | 173.8 | 37.8 | -27.1 | 0 | 0 | 0 | 114.8 | ||||
| 399 | A | 44.3 | Very low | 40.5 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | 170.8 | 137.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 400 | D | 45.1 | Very low | 40.6 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | -158 | 176 | 53.8 | -164.3 | 5.3 | 0 | 0 | 0 | 111.1 | |||||
| 401 | N | 40.6 | Very low | 40.5 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -116.5 | 138.7 | -174.5 | -94.2 | -29.1 | 0 | 0 | 0 | 114.1 | ||||
| 402 | G | 39.5 | Very low | 40.6 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 152.3 | 122.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 403 | G | 34.7 | Very low | 40.7 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | cis | 120.5 | 93.2 | -2.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 404 | V | 45.4 | Very low | 40.5 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -150.4 | 112.6 | 158.3 | 168.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 405 | E | 45 | Very low | 40.3 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | 38.5 | 129.2 | 139.3 | -56.2 | 176.9 | 178.9 | 0 | 0 | 121.6 | ||||
| 406 | E | 36.1 | Very low | 39.8 | Very low | 195 Ų | 195 | 145.6 Ų | 145.6 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -93.4 | 138.2 | 162.3 | -53.7 | 177.8 | 130.6 | 0 | 0 | 109.9 | ||||
| 407 | E | 42.6 | Very low | 39.9 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -162.5 | 176.3 | 141.2 | -127 | -173.7 | -173.9 | 0 | 0 | 114.6 | ||||
| 408 | E | 40.1 | Very low | 39.8 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | trans | 62.6 | 75.5 | 167.5 | -64.6 | -121.3 | 93.8 | 0 | 0 | 118.9 | ||||
| 409 | V | 35.8 | Very low | 40 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 75% | 0.745 | 82% | 0.82 | S | S | * | * | trans | -63.7 | 126.2 | 147.9 | -81.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 410 | K | 42 | Very low | 40.1 | Very low | 170 Ų | 170 | 149 Ų | 149 | 74% | 0.739 | 81% | 0.812 | S | S | * | * | trans | 176.3 | 134.3 | 130.7 | -93.3 | 144 | -151.8 | 150.2 | 0 | 115.9 | ||||
| 411 | N | 35 | Very low | 40 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | 62.1 | 119.2 | 141.9 | -54.8 | -16.4 | 0 | 0 | 0 | 121.4 | ||||
| 412 | L | 43.4 | Very low | 40.3 | Very low | 166 Ų | 166 | 150 Ų | 150 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 174 | 77.6 | 143.4 | -97.2 | 167.5 | 0 | 0 | 0 | 107.2 | ||||
| 413 | S | 39.9 | Very low | 40.6 | Very low | 97 Ų | 97 | 152.3 Ų | 152.3 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | 76.3 | 116.7 | 67.1 | 83.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 414 | K | 34.9 | Very low | 41.2 | Very low | 220 Ų | 220 | 154.9 Ų | 154.9 | 96% | 0.957 | 78% | 0.783 | S | S | * | * | trans | 69.6 | 127.2 | 168.7 | -76.8 | -176.8 | 169.7 | -174.5 | 0 | 118.7 | ||||
| 415 | G | 34.6 | Very low | 41.3 | Very low | 62 Ų | 62 | 158.9 Ų | 158.9 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | -179.3 | 67.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E417 | G415-E417 PolarHBondContact O-N 3.06Š| ||
| 416 | E | 39.8 | Very low | 41.4 | Very low | 201 Ų | 201 | 157.6 Ų | 157.6 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | 44.1 | 62.8 | 144 | -59.6 | 172.6 | 171.7 | 0 | 0 | 120.2 | ||||
| 417 | E | 36.7 | Very low | 42 | Very low | 187 Ų | 187 | 156.1 Ų | 156.1 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -127.5 | 20.9 | 172.8 | -71.6 | -164.8 | 150.8 | 0 | 0 | 115.6 | G415 | G415-E417 PolarHBondContact O-N 3.06Š| ||
| 418 | T | 37.8 | Very low | 42 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -143.3 | 89.5 | -175.9 | 57.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 419 | E | 46 | Very low | 42.1 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -160.1 | -52.9 | 156.7 | -121.5 | 152.9 | -159.9 | 0 | 0 | 113.6 | Y421 Q422 E423 | E419-Y421 PolarHBondContact O-N 3.34Å; E419-Q422 PolarHBondContact O-N 2.99Å; E419-E423 PolarHBondContact O-N 2.85Å |
| 420 | V | 47.9 | Very low | 42.3 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -54.1 | -31.9 | -171.5 | -176.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 421 | Y | 43.2 | Very low | 42.2 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -87.4 | -4.3 | 179.5 | -87.8 | -79.6 | 0 | 0 | 0 | 115.3 | E419 | E419-Y421 PolarHBondContact O-N 3.34Å |
| 422 | Q | 46.1 | Very low | 42.7 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -97.6 | -38.7 | 174.4 | -62 | -167.4 | 28.4 | 0 | 0 | 111.8 | E419 L424 R425 | E419-Q422 PolarHBondContact O-N 2.99Å; Q422-L424 VanDerWaalsContact C-N 3.34Å; Q422-L424 PolarHBondContact O-N 3.36Å; Q422-R425 WeakPolarHBondContact O-CA 3.38Å; Q422-R425 WeakPolarHBondContact O-CB 3.41Å; Q422-R425 PolarHBondContact O-N 2.89Å |
| 423 | E | 46.8 | Very low | 42.7 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -64.1 | -35.6 | -177.1 | -166.4 | 176.2 | -178.8 | 0 | 0 | 113.1 | E419 R425 E426 | E419-E423 PolarHBondContact O-N 2.85Å; E423-R425 PolarHBondContact O-N 3.16Å; E423-E426 PolarHBondContact O-N 3.39Å |
| 424 | L | 45.8 | Very low | 42.9 | Very low | 132 Ų | 132 | 147 Ų | 147 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -67.4 | -13.7 | 172.7 | -69.6 | 175.9 | 0 | 0 | 0 | 113.7 | Q422 | Q422-L424 VanDerWaalsContact C-N 3.34Å; Q422-L424 PolarHBondContact O-N 3.36Å |
| 425 | R | 48.4 | Very low | 43.2 | Very low | 218 Ų | 218 | 144 Ų | 144 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -90.3 | -15.2 | -177.3 | -152.6 | 171.9 | -165.3 | -93.3 | -1.7 | 113.5 | Q422 E423 | Q422-R425 WeakPolarHBondContact O-CA 3.38Å; Q422-R425 WeakPolarHBondContact O-CB 3.41Å; Q422-R425 PolarHBondContact O-N 2.89Å; E423-R425 PolarHBondContact O-N 3.16Å |
| 426 | E | 47.6 | Very low | 43.4 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -98.3 | -15 | -176 | -161.4 | 163.6 | -143 | 0 | 0 | 113.2 | E423 V428 | E423-E426 PolarHBondContact O-N 3.39Å; E426-V428 PolarHBondContact O-N 2.64Å |
| 427 | K | 46.9 | Very low | 43.5 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -81.9 | -4 | -178.3 | -58.5 | -75.6 | 177.5 | 170.1 | 0 | 114.8 | ||
| 428 | V | 42.8 | Very low | 43.5 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | trans | -113.8 | 74.1 | -177.3 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | E426 | E426-V428 PolarHBondContact O-N 2.64Š| ||
| 429 | S | 42.2 | Very low | 43.4 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 123.2 | 173.8 | -75.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 430 | P | 39.6 | Very low | 43.1 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 128.2 | 174.9 | 30.5 | -33.1 | 0 | 0 | 0 | 111 | S432 | P430-S432 PolarHBondContact O-N 2.81Š|
| 431 | G | 40.4 | Very low | 42.7 | Very low | 74 Ų | 74 | 138.2 Ų | 138.2 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 117.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 432 | S | 45.4 | Very low | 42.6 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | 69.7 | 137.6 | 150.4 | -56.6 | 0 | 0 | 0 | 0 | 119.7 | P430 | P430-S432 PolarHBondContact O-N 2.81Š| ||
| 433 | K | 44.6 | Very low | 42.1 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | -97.7 | 162.2 | -177.2 | -51 | 169.4 | -175 | 171.7 | 0 | 112.3 | ||||
| 434 | P | 43.2 | Very low | 41.9 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -105.1 | 125 | 151.1 | 34.7 | -24.7 | 0 | 0 | 0 | 112.2 | ||||
| 435 | D | 41.9 | Very low | 41.5 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -83.4 | 153.7 | 148.1 | -50.9 | -69.2 | 0 | 0 | 0 | 106.5 | ||||
| 436 | G | 39 | Very low | 41 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | 161.9 | 170.7 | 12.6 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 437 | V | 41 | Very low | 40.6 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 92% | 0.915 | 78% | 0.783 | S | S | * | * | cis | -159.5 | 151 | 8.8 | 171.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 438 | G | 36.4 | Very low | 40.2 | Very low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | 83.1 | 140.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 439 | E | 37.2 | Very low | 40.3 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | cis | 79.8 | 133.9 | 43.9 | -74.7 | -161.9 | -156.6 | 0 | 0 | 115 | ||||
| 440 | V | 38.4 | Very low | 39.9 | Very low | 113 Ų | 113 | 138 Ų | 138 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | cis | -162.6 | 160.8 | -16.7 | 82 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 441 | E | 39.8 | Very low | 39.9 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 63% | 0.631 | 79% | 0.794 | S | S | * | * | trans | 72.1 | 150.8 | 156.4 | -81.9 | -164 | 128 | 0 | 0 | 125.3 | ||||
| 442 | K | 42 | Very low | 39.8 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 73.3 | 104.8 | 144 | -77.9 | 159.5 | -178.7 | 147.3 | 0 | 121.4 | ||||
| 443 | N | 35.7 | Very low | 39.5 | Very low | 165 Ų | 165 | 137 Ų | 137 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 136.7 | 152 | -59.7 | -59.4 | 0 | 0 | 0 | 110.9 | ||||
| 444 | E | 41.2 | Very low | 39.4 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -147.6 | 113.5 | 140.3 | -133.5 | -179.9 | 154.4 | 0 | 0 | 115.7 | ||||
| 445 | K | 37.3 | Very low | 39.1 | Very low | 181 Ų | 181 | 143.9 Ų | 143.9 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | trans | -26.2 | 125.2 | 159.8 | 174.4 | -169.7 | -177.8 | 179.7 | 0 | 116.9 | ||||
| 446 | R | 39 | Very low | 38.7 | Very low | 200 Ų | 200 | 140 Ų | 140 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | -175.1 | 147 | 126.3 | -101.5 | 162.7 | -159.7 | -84.5 | 11.3 | 114.3 | |||||
| 447 | E | 38.2 | Very low | 38.7 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | 26.7 | 144.3 | 139.6 | -68.4 | 163 | -127.7 | 0 | 0 | 121.3 | ||||
| 448 | A | 39.8 | Very low | 38.6 | Very low | 84 Ų | 84 | 144.5 Ų | 144.5 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | cis | -170.5 | -164.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 449 | V | 43.2 | Very low | 38.6 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | 72.2 | 124.7 | 177.2 | -167.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 450 | G | 34.9 | Very low | 38.8 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -134.4 | -178.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 451 | A | 39.9 | Very low | 38.7 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -136.6 | 154.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 452 | S | 36.9 | Very low | 38.6 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -75.6 | 135.7 | -172.8 | 50 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 453 | G | 40.3 | Very low | 38.5 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -148.4 | 146.2 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 454 | E | 43 | Very low | 39 | Very low | 202 Ų | 202 | 139 Ų | 139 | 94% | 0.944 | 80% | 0.802 | S | S | * | * | trans | -79.2 | 156.4 | -163.6 | -75 | 178.8 | 79.8 | 0 | 0 | 115.8 | ||||
| 455 | R | 35.3 | Very low | 39.6 | Very low | 254 Ų | 254 | 132.5 Ų | 132.5 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | -81.4 | 115 | 176 | -72.1 | 174.7 | -75.6 | -130.3 | -4.9 | 110.1 | ||||
| 456 | G | 34.3 | Very low | 40.1 | Very low | 76 Ų | 76 | 133.1 Ų | 133.1 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -137 | 71.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 457 | H | 40 | Very low | 40.6 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | 31.6 | 109.6 | 164.5 | -145.9 | -58.9 | 0 | 0 | 0 | 118.2 | G459 | H457-G459 PolarHBondContact O-N 2.68Š| ||
| 458 | V | 37.5 | Very low | 41.7 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -60.2 | 115.4 | 164.1 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 459 | G | 36.9 | Very low | 42.9 | Very low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 129.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | H457 G461 | H457-G459 PolarHBondContact O-N 2.68Å; G459-G461 PolarHBondContact O-N 2.91Å |
| 460 | V | 41.1 | Very low | 44.3 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 127.6 | 171.1 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | E462 | V460-E462 PolarHBondContact O-N 2.93Å; V460-E462 VanDerWaalsContact O-N 3.16Å |
| 461 | G | 36.2 | Very low | 46.4 | Very low | 71 Ų | 71 | 132.9 Ų | 132.9 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 117.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G459 | G459-G461 PolarHBondContact O-N 2.91Š|
| 462 | E | 37.2 | Very low | 48.4 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 144.3 | 179.7 | -69.8 | 179.2 | 97.4 | 0 | 0 | 112.3 | V460 K464 | V460-E462 PolarHBondContact O-N 2.93Å; V460-E462 VanDerWaalsContact O-N 3.16Å; E462-K464 VanDerWaalsContact C-N 3.31Å; E462-K464 PolarHBondContact O-N 3.42Å |
| 463 | P | 41.3 | Very low | 50.9 | Low | 97 Ų | 97 | 127.8 Ų | 127.8 | 63% | 0.63 | 70% | 0.699 | S | S | * | * | trans | -73.5 | 83.5 | 176.3 | 31.5 | -35.3 | 0 | 0 | 0 | 110.8 | G465 R466 | P463-G465 PolarHBondContact O-N 2.92Å; P463-R466 PolarHBondContact O-N 3.48Å | ||
| 464 | K | 46.5 | Very low | 53.1 | Low | 195 Ų | 195 | 130.1 Ų | 130.1 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -2.7 | -177.2 | -69.3 | -174.2 | 176.4 | -178.7 | 0 | 116.8 | E462 | E462-K464 VanDerWaalsContact C-N 3.31Å; E462-K464 PolarHBondContact O-N 3.42Å |
| 465 | G | 52 | Low | 55.4 | Low | 60 Ų | 60 | 122.7 Ų | 122.7 | 62% | 0.619 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -25.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | P463 | P463-G465 PolarHBondContact O-N 2.92Š|
| 466 | R | 49 | Very low | 57.9 | Low | 194 Ų | 194 | 115.3 Ų | 115.3 | 73% | 0.732 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -75.9 | -42.6 | -169.4 | -72.8 | -174.9 | 177.2 | -100 | -1.1 | 114.3 | P463 R468 | P463-R466 PolarHBondContact O-N 3.48Å; R466-R468 PolarHBondContact O-N 2.9Å; R466-R468 VanDerWaalsContact O-N 3.1Å |
| 467 | H | 48.4 | Very low | 60.7 | Low | 118 Ų | 118 | 117 Ų | 117 | 55% | 0.546 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -75.2 | 4.1 | -173.4 | -63.8 | -54.8 | 0 | 0 | 0 | 115.9 | E470 N471 | H467-E470 IonicContact CE1-OE2 3.82Å; H467-E470 IonicContact CG-OE2 3.84Å; H467-E470 IonicContact ND1-OE2 2.88Å; H467-E470 PolarHBondContact ND1-OE2 2.9Å; H467-N471 PolarHBondContact O-ND2 2.78Å |
| 468 | R | 62.1 | Low | 63.2 | Low | 162 Ų | 162 | 113.5 Ų | 113.5 | 61% | 0.611 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -82.2 | -33.1 | -179.7 | -144.6 | 173 | -166.3 | -107.7 | -4 | 112.7 | R466 M472 | R466-R468 PolarHBondContact O-N 2.9Å; R466-R468 VanDerWaalsContact O-N 3.1Å; R468-M472 HydrophobicContact CG-SD 4.2Å; R468-M472 VanDerWaalsContact O-CG 3.28Å; R468-M472 WeakPolarHBondContact O-CG 3.45Å |
| 469 | L | 64.9 | Low | 65.7 | Low | 106 Ų | 106 | 111.4 Ų | 111.4 | 56% | 0.555 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -27.4 | -178.3 | -67.8 | 168.3 | 0 | 0 | 0 | 113.3 | N471 | L469-N471 VanDerWaalsContact C-N 3.3Å; L469-N471 PolarHBondContact O-N 2.82Å |
| 470 | E | 72.6 | Confident | 68.2 | Low | 139 Ų | 139 | 111.9 Ų | 111.9 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -16.1 | -173.7 | -61 | 172.2 | 133.9 | 0 | 0 | 113.1 | H467 | H467-E470 IonicContact CE1-OE2 3.82Å; H467-E470 IonicContact CG-OE2 3.84Å; H467-E470 IonicContact ND1-OE2 2.88Å; H467-E470 PolarHBondContact ND1-OE2 2.9Å |
| 471 | N | 79.7 | Confident | 70.5 | Confident | 140 Ų | 140 | 108 Ų | 108 | 75% | 0.749 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -122.4 | 3.9 | -173.8 | -62.3 | -57.5 | 0 | 0 | 0 | 113.9 | H467 L469 | H467-N471 PolarHBondContact O-ND2 2.78Å; L469-N471 VanDerWaalsContact C-N 3.3Å; L469-N471 PolarHBondContact O-N 2.82Å |
| 472 | M | 80.5 | Confident | 73.1 | Confident | 40 Ų | 40 | 110.4 Ų | 110.4 | 20% | 0.197 | 55% | 0.553 | C | S | . | * | trans | -86.4 | 145.8 | 179.5 | -86.8 | 162.8 | 51.5 | 0 | 0 | 111.6 | R468 E476 W477 Q480 | R468-M472 HydrophobicContact CG-SD 4.2Å; R468-M472 VanDerWaalsContact O-CG 3.28Å; R468-M472 WeakPolarHBondContact O-CG 3.45Å; M472-E476 HydrophobicContact CB-CB 4.21Å; M472-E476 VanDerWaalsContact CE-C 3.48Å; M472-E476 HydrophobicContact CE-CB 4.01Å; M472-E476 WeakPolarHBondContact CE-O 3.36Å; M472-E476 HydrophobicContact CG-CB 4.16Å; M472-W477 HydrophobicContact CE-CB 4.3Å; M472-Q480 HydrophobicContact CE-CB 3.53Å; M472-Q480 HydrophobicContact CE-CG 3.86Å | ||
| 473 | T | 89.4 | Confident | 75.8 | Confident | 86 Ų | 86 | 110 Ų | 110 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | trans | -67.7 | 158.1 | 167 | 63.6 | 0 | 0 | 0 | 0 | 111 | G475 E476 W477 | T473-G475 PolarHBondContact O-N 3.18Å; T473-E476 WeakPolarHBondContact CB-OE2 3.4Å; T473-E476 WeakPolarHBondContact CG2-OE2 3.27Å; T473-E476 PolarHBondContact N-OE2 3.01Å; T473-E476 PolarHBondContact O-N 3.39Å; T473-E476 VanDerWaalsContact OG1-CG 3.29Å; T473-E476 WeakPolarHBondContact OG1-CG 3.34Å; T473-E476 PolarHBondContact OG1-N 3.04Å; T473-E476 PolarHBondContact OG1-OE2 3.33Å; T473-W477 PolarHBondContact O-N 3.48Å | ||
| 474 | L | 87.3 | Confident | 78.2 | Confident | 122 Ų | 122 | 111.4 Ų | 111.4 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.1 | -35.5 | 177.8 | -176.2 | 61.5 | 0 | 0 | 0 | 112.4 | W477 F478 | L474-W477 HydrophobicContact CD1-CE3 4.23Å; L474-W477 WeakPolarHBondContact O-CB 3.37Å; L474-W477 PolarHBondContact O-N 2.9Å; L474-F478 HydrophobicContact CD1-CD2 4.28Å; L474-F478 HydrophobicContact CD1-CE2 3.88Å; L474-F478 HydrophobicContact CD2-CE2 4.38Å; L474-F478 HydrophobicContact CG-CD2 4.13Å; L474-F478 HydrophobicContact CG-CE2 3.87Å; L474-F478 VanDerWaalsContact O-CD2 3.24Å; L474-F478 WeakPolarHBondContact O-CD2 3.49Å; L474-F478 PolarHBondContact O-N 3.35Å |
| 475 | G | 90.3 | Very high | 80.4 | Confident | 46 Ų | 46 | 106.5 Ų | 106.5 | 47% | 0.474 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | T473 W477 F478 V479 | T473-G475 PolarHBondContact O-N 3.18Å; G475-W477 VanDerWaalsContact C-N 3.28Å; G475-W477 PolarHBondContact O-N 3.45Å; G475-F478 PolarHBondContact O-N 2.82Å; G475-V479 PolarHBondContact O-N 2.9Å; G475-V479 VanDerWaalsContact O-N 3.13Å |
| 476 | E | 89.6 | Confident | 82.3 | Confident | 100 Ų | 100 | 108.6 Ų | 108.6 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 172.9 | -69.6 | 165.4 | 116 | 0 | 0 | 111.8 | M472 T473 V479 Q480 | M472-E476 HydrophobicContact CB-CB 4.21Å; M472-E476 VanDerWaalsContact CE-C 3.48Å; M472-E476 HydrophobicContact CE-CB 4.01Å; M472-E476 WeakPolarHBondContact CE-O 3.36Å; M472-E476 HydrophobicContact CG-CB 4.16Å; T473-E476 WeakPolarHBondContact CB-OE2 3.4Å; T473-E476 WeakPolarHBondContact CG2-OE2 3.27Å; T473-E476 PolarHBondContact N-OE2 3.01Å; T473-E476 PolarHBondContact O-N 3.39Å; T473-E476 VanDerWaalsContact OG1-CG 3.29Å; T473-E476 WeakPolarHBondContact OG1-CG 3.34Å; T473-E476 PolarHBondContact OG1-N 3.04Å; T473-E476 PolarHBondContact OG1-OE2 3.33Å; E476-V479 PolarHBondContact O-N 3.22Å; E476-Q480 WeakPolarHBondContact O-CB 3.4Å; E476-Q480 PolarHBondContact O-N 2.81Å |
| 477 | W | 91.7 | Very high | 84.4 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.9 | -178.8 | 88.8 | 0 | 0 | 0 | 112 | M472 T473 L474 G475 Q480 I481 | M472-W477 HydrophobicContact CE-CB 4.3Å; T473-W477 PolarHBondContact O-N 3.48Å; L474-W477 HydrophobicContact CD1-CE3 4.23Å; L474-W477 WeakPolarHBondContact O-CB 3.37Å; L474-W477 PolarHBondContact O-N 2.9Å; G475-W477 VanDerWaalsContact C-N 3.28Å; G475-W477 PolarHBondContact O-N 3.45Å; W477-Q480 PolarHBondContact O-N 3.18Å; W477-I481 HydrophobicContact CE3-CG2 4.33Å; W477-I481 HydrophobicContact CH2-CG2 4.28Å; W477-I481 HydrophobicContact CZ3-CG2 4.16Å; W477-I481 WeakPolarHBondContact O-CG2 3.44Å; W477-I481 PolarHBondContact O-N 2.85Å |
| 478 | F | 92.3 | Very high | 86.5 | Confident | 106 Ų | 106 | 99.6 Ų | 99.6 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -50.7 | 173.3 | -83.6 | -70.8 | 0 | 0 | 0 | 112 | L474 G475 Q480 I481 E482 | L474-F478 HydrophobicContact CD1-CD2 4.28Å; L474-F478 HydrophobicContact CD1-CE2 3.88Å; L474-F478 HydrophobicContact CD2-CE2 4.38Å; L474-F478 HydrophobicContact CG-CD2 4.13Å; L474-F478 HydrophobicContact CG-CE2 3.87Å; L474-F478 VanDerWaalsContact O-CD2 3.24Å; L474-F478 WeakPolarHBondContact O-CD2 3.49Å; L474-F478 PolarHBondContact O-N 3.35Å; G475-F478 PolarHBondContact O-N 2.82Å; F478-Q480 VanDerWaalsContact C-N 3.27Å; F478-Q480 PolarHBondContact O-N 3.16Å; F478-I481 WeakPolarHBondContact O-CG2 3.36Å; F478-I481 PolarHBondContact O-N 2.91Å; F478-E482 WeakPolarHBondContact O-CB 3.15Å; F478-E482 WeakPolarHBondContact O-CG 3.3Å; F478-E482 PolarHBondContact O-N 3.31Å |
| 479 | V | 91.1 | Very high | 87.9 | Confident | 94 Ų | 94 | 97.1 Ų | 97.1 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.5 | -36.5 | 177.4 | 175.9 | 0 | 0 | 0 | 0 | 112 | G475 E476 K483 | G475-V479 PolarHBondContact O-N 2.9Å; G475-V479 VanDerWaalsContact O-N 3.13Å; E476-V479 PolarHBondContact O-N 3.22Å; V479-K483 WeakPolarHBondContact O-CB 3.05Å; V479-K483 PolarHBondContact O-N 3.04Å |
| 480 | Q | 88.7 | Confident | 89.3 | Confident | 69 Ų | 69 | 97.1 Ų | 97.1 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.8 | -33.1 | -179.6 | -176.4 | 59.9 | 85.7 | 0 | 0 | 113 | M472 E476 W477 F478 Y484 | M472-Q480 HydrophobicContact CE-CB 3.53Å; M472-Q480 HydrophobicContact CE-CG 3.86Å; E476-Q480 WeakPolarHBondContact O-CB 3.4Å; E476-Q480 PolarHBondContact O-N 2.81Å; W477-Q480 PolarHBondContact O-N 3.18Å; F478-Q480 VanDerWaalsContact C-N 3.27Å; F478-Q480 PolarHBondContact O-N 3.16Å; Q480-Y484 WeakPolarHBondContact O-CB 3.26Å; Q480-Y484 PolarHBondContact O-N 3.32Å; Q480-Y484 VanDerWaalsContact O-N 3.09Å |
| 481 | I | 90.3 | Very high | 90.3 | Very high | 56 Ų | 56 | 95.8 Ų | 95.8 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -78 | -37.1 | 174.9 | -162.6 | 65.7 | 0 | 0 | 0 | 111.4 | W477 F478 K483 Y484 L485 | W477-I481 HydrophobicContact CE3-CG2 4.33Å; W477-I481 HydrophobicContact CH2-CG2 4.28Å; W477-I481 HydrophobicContact CZ3-CG2 4.16Å; W477-I481 WeakPolarHBondContact O-CG2 3.44Å; W477-I481 PolarHBondContact O-N 2.85Å; F478-I481 WeakPolarHBondContact O-CG2 3.36Å; F478-I481 PolarHBondContact O-N 2.91Å; I481-K483 PolarHBondContact O-N 2.81Å; I481-Y484 HydrophobicContact CD1-CD1 4.01Å; I481-Y484 PolarHBondContact O-N 2.84Å; I481-L485 HydrophobicContact CG1-CD1 4.27Å; I481-L485 HydrophobicContact CG1-CG 4.43Å; I481-L485 WeakPolarHBondContact O-CB 3.23Å; I481-L485 VanDerWaalsContact O-CG 3.28Å; I481-L485 WeakPolarHBondContact O-CG 3.41Å; I481-L485 PolarHBondContact O-N 3.06Å |
| 482 | E | 91.1 | Very high | 91 | Very high | 122 Ų | 122 | 91.9 Ų | 91.9 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -56.6 | -49.9 | 169.5 | -75.7 | 174.8 | 171.9 | 0 | 0 | 111 | F478 Y484 L485 L486 | F478-E482 WeakPolarHBondContact O-CB 3.15Å; F478-E482 WeakPolarHBondContact O-CG 3.3Å; F478-E482 PolarHBondContact O-N 3.31Å; E482-Y484 VanDerWaalsContact C-N 3.29Å; E482-Y484 PolarHBondContact O-N 3.27Å; E482-L485 PolarHBondContact O-N 3.44Å; E482-L486 WeakPolarHBondContact O-CB 3.31Å; E482-L486 PolarHBondContact O-N 3.35Å |
| 483 | K | 92.3 | Very high | 91.7 | Very high | 149 Ų | 149 | 92.1 Ų | 92.1 | 65% | 0.648 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.3 | -34.3 | 176.4 | -176.2 | 167.2 | -176.5 | 167.8 | 0 | 113.1 | V479 I481 A487 | V479-K483 WeakPolarHBondContact O-CB 3.05Å; V479-K483 PolarHBondContact O-N 3.04Å; I481-K483 PolarHBondContact O-N 2.81Å; K483-A487 WeakPolarHBondContact O-CB 3.22Å; K483-A487 PolarHBondContact O-N 2.74Å; K483-A487 VanDerWaalsContact O-N 3.12Å |
| 484 | Y | 92.5 | Very high | 91.9 | Very high | 126 Ų | 126 | 94.9 Ų | 94.9 | 49% | 0.494 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.7 | -43 | 175.6 | 175.5 | -94.4 | 0 | 0 | 0 | 112.1 | Q480 I481 E482 A487 K488 | Q480-Y484 WeakPolarHBondContact O-CB 3.26Å; Q480-Y484 PolarHBondContact O-N 3.32Å; Q480-Y484 VanDerWaalsContact O-N 3.09Å; I481-Y484 HydrophobicContact CD1-CD1 4.01Å; I481-Y484 PolarHBondContact O-N 2.84Å; E482-Y484 VanDerWaalsContact C-N 3.29Å; E482-Y484 PolarHBondContact O-N 3.27Å; Y484-A487 PolarHBondContact O-N 3.23Å; Y484-K488 HydrophobicContact CD1-CG 4.5Å; Y484-K488 HydrophobicContact CE1-CG 3.99Å; Y484-K488 HydrophobicContact CE2-CG 4.29Å; Y484-K488 WeakPolarHBondContact O-CB 3.27Å; Y484-K488 PolarHBondContact O-N 3.03Å |
| 485 | L | 92.1 | Very high | 92.3 | Very high | 92 Ų | 92 | 96.5 Ų | 96.5 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 177.3 | -70.3 | 169.8 | 0 | 0 | 0 | 111.3 | I481 E482 K488 N489 | I481-L485 HydrophobicContact CG1-CD1 4.27Å; I481-L485 HydrophobicContact CG1-CG 4.43Å; I481-L485 WeakPolarHBondContact O-CB 3.23Å; I481-L485 VanDerWaalsContact O-CG 3.28Å; I481-L485 WeakPolarHBondContact O-CG 3.41Å; I481-L485 PolarHBondContact O-N 3.06Å; E482-L485 PolarHBondContact O-N 3.44Å; L485-K488 PolarHBondContact O-N 3.08Å; L485-N489 WeakPolarHBondContact O-CB 3.21Å; L485-N489 PolarHBondContact O-N 2.92Å; L485-N489 PolarHBondContact O-ND2 2.84Å |
| 486 | L | 93 | Very high | 92.5 | Very high | 103 Ų | 103 | 96.9 Ų | 96.9 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.5 | -53.1 | 173.3 | -164.9 | 79.6 | 0 | 0 | 0 | 110.7 | E482 K488 N489 E490 | E482-L486 WeakPolarHBondContact O-CB 3.31Å; E482-L486 PolarHBondContact O-N 3.35Å; L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 2.86Å; L486-N489 WeakPolarHBondContact O-CB 3.48Å; L486-N489 PolarHBondContact O-N 3.42Å; L486-E490 WeakPolarHBondContact O-CG 3.46Å; L486-E490 PolarHBondContact O-N 3.18Å |
| 487 | A | 93 | Very high | 92.8 | Very high | 46 Ų | 46 | 96.6 Ų | 96.6 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -32 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K483 Y484 E491 | K483-A487 WeakPolarHBondContact O-CB 3.22Å; K483-A487 PolarHBondContact O-N 2.74Å; K483-A487 VanDerWaalsContact O-N 3.12Å; Y484-A487 PolarHBondContact O-N 3.23Å; A487-E491 WeakPolarHBondContact O-CB 3.35Å; A487-E491 PolarHBondContact O-N 3.34Å |
| 488 | K | 91.2 | Very high | 92.9 | Very high | 78 Ų | 78 | 93.6 Ų | 93.6 | 34% | 0.339 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75.4 | -31.4 | 174.2 | -82.7 | -67.4 | 177.3 | -156.4 | 0 | 113.7 | Y484 L485 L486 E491 A492 | Y484-K488 HydrophobicContact CD1-CG 4.5Å; Y484-K488 HydrophobicContact CE1-CG 3.99Å; Y484-K488 HydrophobicContact CE2-CG 4.29Å; Y484-K488 WeakPolarHBondContact O-CB 3.27Å; Y484-K488 PolarHBondContact O-N 3.03Å; L485-K488 PolarHBondContact O-N 3.08Å; L486-K488 VanDerWaalsContact C-N 3.26Å; L486-K488 PolarHBondContact O-N 2.86Å; K488-E491 IonicContact NZ-OE1 2.73Å; K488-E491 PolarHBondContact NZ-OE1 3.45Å; K488-E491 IonicContact NZ-OE2 2.64Å; K488-E491 PolarHBondContact NZ-OE2 3.22Å; K488-A492 WeakPolarHBondContact O-CB 3.42Å; K488-A492 PolarHBondContact O-N 2.91Å |
| 489 | N | 92.6 | Very high | 93.1 | Very high | 110 Ų | 110 | 93.1 Ų | 93.1 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71.6 | -37.6 | 171.4 | -68.3 | -18.8 | 0 | 0 | 0 | 111.1 | L485 L486 A492 A493 | L485-N489 WeakPolarHBondContact O-CB 3.21Å; L485-N489 PolarHBondContact O-N 2.92Å; L485-N489 PolarHBondContact O-ND2 2.84Å; L486-N489 WeakPolarHBondContact O-CB 3.48Å; L486-N489 PolarHBondContact O-N 3.42Å; N489-A492 PolarHBondContact O-N 3.06Å; N489-A493 VanDerWaalsContact O-CB 3.27Å; N489-A493 WeakPolarHBondContact O-CB 3.49Å; N489-A493 PolarHBondContact O-N 3.34Å |
| 490 | E | 93.2 | Very high | 93.3 | Very high | 106 Ų | 106 | 93.3 Ų | 93.3 | 50% | 0.495 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -52.2 | 171.3 | -71.3 | 166.2 | 174.6 | 0 | 0 | 110.9 | L486 A492 A493 E494 | L486-E490 WeakPolarHBondContact O-CG 3.46Å; L486-E490 PolarHBondContact O-N 3.18Å; E490-A492 VanDerWaalsContact C-N 3.3Å; E490-A492 PolarHBondContact O-N 2.87Å; E490-A493 PolarHBondContact O-N 3.43Å; E490-A493 VanDerWaalsContact O-N 3.11Å; E490-E494 WeakPolarHBondContact O-CG 3.17Å; E490-E494 PolarHBondContact O-N 3.16Å |
| 491 | E | 94 | Very high | 93.7 | Very high | 110 Ų | 110 | 94.8 Ų | 94.8 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.3 | -40.8 | 175.8 | -177.5 | -174.8 | 131.2 | 0 | 0 | 112.6 | A487 K488 K495 | A487-E491 WeakPolarHBondContact O-CB 3.35Å; A487-E491 PolarHBondContact O-N 3.34Å; K488-E491 IonicContact NZ-OE1 2.73Å; K488-E491 PolarHBondContact NZ-OE1 3.45Å; K488-E491 IonicContact NZ-OE2 2.64Å; K488-E491 PolarHBondContact NZ-OE2 3.22Å; E491-K495 WeakPolarHBondContact O-CB 3.3Å; E491-K495 PolarHBondContact O-N 3.11Å; E491-K495 VanDerWaalsContact O-N 3.12Å |
| 492 | A | 94.4 | Very high | 93.9 | Very high | 58 Ų | 58 | 98 Ų | 98 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K488 N489 E490 A496 | K488-A492 WeakPolarHBondContact O-CB 3.42Å; K488-A492 PolarHBondContact O-N 2.91Å; N489-A492 PolarHBondContact O-N 3.06Å; E490-A492 VanDerWaalsContact C-N 3.3Å; E490-A492 PolarHBondContact O-N 2.87Å; A492-A496 WeakPolarHBondContact O-CB 3.21Å; A492-A496 PolarHBondContact O-N 3.12Å |
| 493 | A | 94.9 | Very high | 94.1 | Very high | 46 Ų | 46 | 98.2 Ų | 98.2 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N489 E490 K495 A496 I497 | N489-A493 VanDerWaalsContact O-CB 3.27Å; N489-A493 WeakPolarHBondContact O-CB 3.49Å; N489-A493 PolarHBondContact O-N 3.34Å; E490-A493 PolarHBondContact O-N 3.43Å; E490-A493 VanDerWaalsContact O-N 3.11Å; A493-K495 VanDerWaalsContact C-N 3.31Å; A493-K495 PolarHBondContact O-N 3.06Å; A493-A496 PolarHBondContact O-N 2.83Å; A493-I497 WeakPolarHBondContact O-CB 3.47Å; A493-I497 WeakPolarHBondContact O-CD1 3.36Å; A493-I497 VanDerWaalsContact O-CG1 3.23Å; A493-I497 WeakPolarHBondContact O-CG1 3.35Å; A493-I497 PolarHBondContact O-N 3.25Å |
| 494 | E | 94 | Very high | 94.3 | Very high | 143 Ų | 143 | 96.8 Ų | 96.8 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.6 | -44.3 | 174 | -74.2 | -169.5 | 158.4 | 0 | 0 | 111.4 | E490 I497 A498 | E490-E494 WeakPolarHBondContact O-CG 3.17Å; E490-E494 PolarHBondContact O-N 3.16Å; E494-I497 PolarHBondContact O-N 3.45Å; E494-A498 WeakPolarHBondContact O-CB 3.44Å; E494-A498 PolarHBondContact O-N 3.36Å |
| 495 | K | 96.1 | Very high | 94.4 | Very high | 157 Ų | 157 | 97.2 Ų | 97.2 | 68% | 0.683 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -45.4 | 176.1 | -175 | 179.5 | 178.3 | -177.1 | 0 | 112.4 | E491 A493 A498 E499 | E491-K495 WeakPolarHBondContact O-CB 3.3Å; E491-K495 PolarHBondContact O-N 3.11Å; E491-K495 VanDerWaalsContact O-N 3.12Å; A493-K495 VanDerWaalsContact C-N 3.31Å; A493-K495 PolarHBondContact O-N 3.06Å; K495-A498 PolarHBondContact O-N 3.3Å; K495-E499 PolarHBondContact O-N 3.41Å |
| 496 | A | 94.6 | Very high | 94.5 | Very high | 54 Ų | 54 | 101.4 Ų | 101.4 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | A492 A493 E499 V500 | A492-A496 WeakPolarHBondContact O-CB 3.21Å; A492-A496 PolarHBondContact O-N 3.12Å; A493-A496 PolarHBondContact O-N 2.83Å; A496-E499 PolarHBondContact O-N 3.1Å; A496-V500 WeakPolarHBondContact O-CG2 3.28Å; A496-V500 PolarHBondContact O-N 3.26Å |
| 497 | I | 95.1 | Very high | 94.6 | Very high | 93 Ų | 93 | 102.5 Ų | 102.5 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 175.1 | -69.9 | 164.2 | 0 | 0 | 0 | 110.6 | A493 E494 V500 Q501 | A493-I497 WeakPolarHBondContact O-CB 3.47Å; A493-I497 WeakPolarHBondContact O-CD1 3.36Å; A493-I497 VanDerWaalsContact O-CG1 3.23Å; A493-I497 WeakPolarHBondContact O-CG1 3.35Å; A493-I497 PolarHBondContact O-N 3.25Å; E494-I497 PolarHBondContact O-N 3.45Å; I497-V500 PolarHBondContact O-N 2.89Å; I497-Q501 HydrophobicContact CG2-CG 4.36Å; I497-Q501 WeakPolarHBondContact O-CB 3.27Å; I497-Q501 VanDerWaalsContact O-CG 3.3Å; I497-Q501 WeakPolarHBondContact O-CG 3.47Å; I497-Q501 PolarHBondContact O-N 2.64Å |
| 498 | A | 95.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 102.4 Ų | 102.4 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E494 K495 Q501 E502 | E494-A498 WeakPolarHBondContact O-CB 3.44Å; E494-A498 PolarHBondContact O-N 3.36Å; K495-A498 PolarHBondContact O-N 3.3Å; A498-Q501 PolarHBondContact O-N 2.73Å; A498-E502 WeakPolarHBondContact O-CB 3.5Å; A498-E502 PolarHBondContact O-N 3.13Å |
| 499 | E | 95.4 | Very high | 94.7 | Very high | 96 Ų | 96 | 103.5 Ų | 103.5 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.3 | -167.4 | -167.7 | 131.5 | 0 | 0 | 111.9 | K495 A496 E502 K503 | K495-E499 PolarHBondContact O-N 3.41Å; A496-E499 PolarHBondContact O-N 3.1Å; E499-E502 PolarHBondContact O-N 2.85Å; E499-K503 HydrophobicContact CG-CD 4.44Å; E499-K503 WeakPolarHBondContact O-CG 3.44Å; E499-K503 PolarHBondContact O-N 3.07Å; E499-K503 WeakPolarHBondContact OE1-CE 3.39Å; E499-K503 IonicContact OE1-NZ 2.6Å; E499-K503 PolarHBondContact OE1-NZ 2.61Å |
| 500 | V | 96.2 | Very high | 94.7 | Very high | 98 Ų | 98 | 102.1 Ų | 102.1 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | A496 I497 E502 K503 H504 | A496-V500 WeakPolarHBondContact O-CG2 3.28Å; A496-V500 PolarHBondContact O-N 3.26Å; I497-V500 PolarHBondContact O-N 2.89Å; V500-E502 VanDerWaalsContact C-N 3.34Å; V500-E502 PolarHBondContact O-N 3.3Å; V500-K503 PolarHBondContact O-N 2.97Å; V500-H504 WeakPolarHBondContact O-CB 3.36Å; V500-H504 PolarHBondContact O-N 2.95Å |
| 501 | Q | 95.7 | Very high | 94.7 | Very high | 100 Ų | 100 | 99.3 Ų | 99.3 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 174.7 | -75.1 | -177.8 | 20.8 | 0 | 0 | 112.2 | I497 A498 H504 R505 | I497-Q501 HydrophobicContact CG2-CG 4.36Å; I497-Q501 WeakPolarHBondContact O-CB 3.27Å; I497-Q501 VanDerWaalsContact O-CG 3.3Å; I497-Q501 WeakPolarHBondContact O-CG 3.47Å; I497-Q501 PolarHBondContact O-N 2.64Å; A498-Q501 PolarHBondContact O-N 2.73Å; Q501-H504 PolarHBondContact O-N 3.5Å; Q501-R505 WeakPolarHBondContact O-CG 3.45Å; Q501-R505 PolarHBondContact O-N 3.12Å |
| 502 | E | 96 | Very high | 94.6 | Very high | 123 Ų | 123 | 99.3 Ų | 99.3 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.3 | -46.9 | 176.5 | -175.2 | 164.8 | -144.9 | 0 | 0 | 112 | A498 E499 V500 H504 R505 W506 | A498-E502 WeakPolarHBondContact O-CB 3.5Å; A498-E502 PolarHBondContact O-N 3.13Å; E499-E502 PolarHBondContact O-N 2.85Å; V500-E502 VanDerWaalsContact C-N 3.34Å; V500-E502 PolarHBondContact O-N 3.3Å; E502-H504 VanDerWaalsContact C-N 3.27Å; E502-H504 PolarHBondContact O-N 2.91Å; E502-R505 WeakPolarHBondContact O-CB 3.33Å; E502-R505 PolarHBondContact O-N 3.07Å; E502-R505 VanDerWaalsContact O-N 3.16Å; E502-W506 PolarHBondContact O-N 3.49Å |
| 503 | K | 95 | Very high | 94.5 | Very high | 126 Ų | 126 | 99.2 Ų | 99.2 | 55% | 0.548 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.7 | -40.5 | 172.6 | -73.5 | 168.9 | 173.2 | 174.3 | 0 | 111.8 | E499 V500 W506 F507 | E499-K503 HydrophobicContact CG-CD 4.44Å; E499-K503 WeakPolarHBondContact O-CG 3.44Å; E499-K503 PolarHBondContact O-N 3.07Å; E499-K503 WeakPolarHBondContact OE1-CE 3.39Å; E499-K503 IonicContact OE1-NZ 2.6Å; E499-K503 PolarHBondContact OE1-NZ 2.61Å; V500-K503 PolarHBondContact O-N 2.97Å; K503-W506 PolarHBondContact O-N 2.94Å; K503-F507 WeakPolarHBondContact O-CB 3.43Å; K503-F507 PolarHBondContact O-N 3.25Å |
| 504 | H | 95.8 | Very high | 94.3 | Very high | 119 Ų | 119 | 101.3 Ų | 101.3 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.9 | -41.7 | 175 | -177.3 | 78.4 | 0 | 0 | 0 | 112.9 | V500 Q501 E502 F507 C508 | V500-H504 WeakPolarHBondContact O-CB 3.36Å; V500-H504 PolarHBondContact O-N 2.95Å; Q501-H504 PolarHBondContact O-N 3.5Å; E502-H504 VanDerWaalsContact C-N 3.27Å; E502-H504 PolarHBondContact O-N 2.91Å; H504-F507 PolarHBondContact O-N 3.35Å; H504-C508 WeakPolarHBondContact O-CB 3.48Å; H504-C508 PolarHBondContact O-N 2.86Å; H504-C508 PolarHBondContact O-SG 3.09Å |
| 505 | R | 94.8 | Very high | 93.9 | Very high | 136 Ų | 136 | 101.6 Ų | 101.6 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 172.8 | -76 | -175.2 | -65.4 | -105.3 | 3.4 | 110.9 | Q501 E502 C508 E509 | Q501-R505 WeakPolarHBondContact O-CG 3.45Å; Q501-R505 PolarHBondContact O-N 3.12Å; E502-R505 WeakPolarHBondContact O-CB 3.33Å; E502-R505 PolarHBondContact O-N 3.07Å; E502-R505 VanDerWaalsContact O-N 3.16Å; R505-C508 PolarHBondContact O-N 2.84Å; R505-E509 PolarHBondContact O-N 3.42Å |
| 506 | W | 93.7 | Very high | 93.4 | Very high | 180 Ų | 180 | 99.6 Ų | 99.6 | 68% | 0.682 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 179.1 | -171.5 | 89.2 | 0 | 0 | 0 | 112.5 | E502 K503 C508 E509 H510 | E502-W506 PolarHBondContact O-N 3.49Å; K503-W506 PolarHBondContact O-N 2.94Å; W506-C508 PolarHBondContact O-N 3.18Å; W506-E509 PolarHBondContact O-N 3.3Å; W506-H510 WeakPolarHBondContact O-CB 3.44Å; W506-H510 PolarHBondContact O-N 3.29Å |
| 507 | F | 94.9 | Very high | 92.9 | Very high | 125 Ų | 125 | 103.9 Ų | 103.9 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 173.8 | 177.4 | -98.3 | 0 | 0 | 0 | 112.1 | K503 H504 E509 H510 V511 | K503-F507 WeakPolarHBondContact O-CB 3.43Å; K503-F507 PolarHBondContact O-N 3.25Å; H504-F507 PolarHBondContact O-N 3.35Å; F507-E509 PolarHBondContact O-N 3.06Å; F507-H510 WeakPolarHBondContact O-CB 3.35Å; F507-H510 PolarHBondContact O-N 3.47Å; F507-V511 HydrophobicContact CD1-CG2 4.29Å; F507-V511 HydrophobicContact CE1-CG2 3.87Å; F507-V511 HydrophobicContact CE2-CG2 4.16Å; F507-V511 HydrophobicContact CZ-CG2 3.8Å; F507-V511 WeakPolarHBondContact O-CG2 3.39Å; F507-V511 PolarHBondContact O-N 3.43Å |
| 508 | C | 93.9 | Very high | 92.4 | Very high | 45 Ų | 45 | 108.1 Ų | 108.1 | 30% | 0.304 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 177.6 | -78.2 | 0 | 0 | 0 | 0 | 112.7 | H504 R505 W506 K512 | H504-C508 WeakPolarHBondContact O-CB 3.48Å; H504-C508 PolarHBondContact O-N 2.86Å; H504-C508 PolarHBondContact O-SG 3.09Å; R505-C508 PolarHBondContact O-N 2.84Å; W506-C508 PolarHBondContact O-N 3.18Å; C508-K512 WeakPolarHBondContact O-CG 3.44Å; C508-K512 PolarHBondContact O-N 2.88Å |
| 509 | E | 93.4 | Very high | 91.5 | Very high | 100 Ų | 100 | 110.1 Ų | 110.1 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 170.6 | -72.1 | -50.8 | 130.5 | 0 | 0 | 112.1 | R505 W506 F507 V511 K512 T513 | R505-E509 PolarHBondContact O-N 3.42Å; W506-E509 PolarHBondContact O-N 3.3Å; F507-E509 PolarHBondContact O-N 3.06Å; E509-V511 VanDerWaalsContact C-N 3.33Å; E509-V511 PolarHBondContact O-N 3.13Å; E509-K512 WeakPolarHBondContact O-CB 3.4Å; E509-K512 PolarHBondContact O-N 3.43Å; E509-K512 VanDerWaalsContact O-N 3.09Å; E509-K512 IonicContact OE1-NZ 2.64Å; E509-K512 PolarHBondContact OE1-NZ 3.18Å; E509-K512 IonicContact OE2-NZ 3.95Å; E509-T513 WeakPolarHBondContact O-CG2 3.35Å; E509-T513 PolarHBondContact O-N 3.31Å |
| 510 | H | 92.8 | Very high | 90.3 | Very high | 81 Ų | 81 | 112.8 Ų | 112.8 | 38% | 0.375 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 177.4 | -164.9 | 96 | 0 | 0 | 0 | 111.2 | W506 F507 K512 T513 L514 | W506-H510 WeakPolarHBondContact O-CB 3.44Å; W506-H510 PolarHBondContact O-N 3.29Å; F507-H510 WeakPolarHBondContact O-CB 3.35Å; F507-H510 PolarHBondContact O-N 3.47Å; H510-K512 VanDerWaalsContact C-N 3.35Å; H510-K512 PolarHBondContact O-N 3.3Å; H510-T513 PolarHBondContact O-N 3.27Å; H510-T513 VanDerWaalsContact O-N 3.15Å; H510-T513 PolarHBondContact O-OG1 2.87Å; H510-L514 WeakPolarHBondContact O-CG 3.29Å; H510-L514 PolarHBondContact O-N 3.32Å |
| 511 | V | 93.3 | Very high | 88.5 | Confident | 48 Ų | 48 | 111.4 Ų | 111.4 | 29% | 0.291 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 175.9 | 172 | 0 | 0 | 0 | 0 | 112.3 | F507 E509 L514 K515 | F507-V511 HydrophobicContact CD1-CG2 4.29Å; F507-V511 HydrophobicContact CE1-CG2 3.87Å; F507-V511 HydrophobicContact CE2-CG2 4.16Å; F507-V511 HydrophobicContact CZ-CG2 3.8Å; F507-V511 WeakPolarHBondContact O-CG2 3.39Å; F507-V511 PolarHBondContact O-N 3.43Å; E509-V511 VanDerWaalsContact C-N 3.33Å; E509-V511 PolarHBondContact O-N 3.13Å; V511-L514 PolarHBondContact O-N 3.26Å; V511-K515 HydrophobicContact CG1-CD 4.34Å; V511-K515 WeakPolarHBondContact O-CG 3.34Å; V511-K515 PolarHBondContact O-N 3.1Å |
| 512 | K | 92.2 | Very high | 86.8 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 48% | 0.478 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.1 | -48.3 | 171.2 | -70.1 | 170 | -171.2 | 175.6 | 0 | 111.2 | C508 E509 H510 L514 K515 L516 | C508-K512 WeakPolarHBondContact O-CG 3.44Å; C508-K512 PolarHBondContact O-N 2.88Å; E509-K512 WeakPolarHBondContact O-CB 3.4Å; E509-K512 PolarHBondContact O-N 3.43Å; E509-K512 VanDerWaalsContact O-N 3.09Å; E509-K512 IonicContact OE1-NZ 2.64Å; E509-K512 PolarHBondContact OE1-NZ 3.18Å; E509-K512 IonicContact OE2-NZ 3.95Å; H510-K512 VanDerWaalsContact C-N 3.35Å; H510-K512 PolarHBondContact O-N 3.3Å; K512-L514 VanDerWaalsContact C-N 3.32Å; K512-L514 PolarHBondContact O-N 2.94Å; K512-K515 PolarHBondContact O-N 3.36Å; K512-L516 WeakPolarHBondContact O-CG 3.24Å; K512-L516 PolarHBondContact O-N 3.42Å |
| 513 | T | 91.5 | Very high | 86.3 | Confident | 56 Ų | 56 | 115.9 Ų | 115.9 | 34% | 0.344 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.7 | -34.8 | -179.6 | 71 | 0 | 0 | 0 | 0 | 112.8 | E509 H510 K517 | E509-T513 WeakPolarHBondContact O-CG2 3.35Å; E509-T513 PolarHBondContact O-N 3.31Å; H510-T513 PolarHBondContact O-N 3.27Å; H510-T513 VanDerWaalsContact O-N 3.15Å; H510-T513 PolarHBondContact O-OG1 2.87Å; T513-K517 WeakPolarHBondContact O-CB 3.28Å; T513-K517 VanDerWaalsContact O-CG 3.25Å; T513-K517 WeakPolarHBondContact O-CG 3.4Å; T513-K517 PolarHBondContact O-N 2.66Å |
| 514 | L | 90.6 | Very high | 85.9 | Confident | 89 Ų | 89 | 115.4 Ų | 115.4 | 47% | 0.466 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.5 | -42.3 | 174 | -69.7 | -179.7 | 0 | 0 | 0 | 112 | H510 V511 K512 K517 K518 | H510-L514 WeakPolarHBondContact O-CG 3.29Å; H510-L514 PolarHBondContact O-N 3.32Å; V511-L514 PolarHBondContact O-N 3.26Å; K512-L514 VanDerWaalsContact C-N 3.32Å; K512-L514 PolarHBondContact O-N 2.94Å; L514-K517 PolarHBondContact O-N 3.27Å; L514-K518 WeakPolarHBondContact O-CB 3.45Å; L514-K518 PolarHBondContact O-N 3.44Å |
| 515 | K | 86.6 | Confident | 85.3 | Confident | 150 Ų | 150 | 115.2 Ų | 115.2 | 65% | 0.652 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.2 | -46.8 | 174 | -75.1 | 178.3 | 178.7 | -178.1 | 0 | 111.4 | V511 K512 K517 K518 S519 | V511-K515 HydrophobicContact CG1-CD 4.34Å; V511-K515 WeakPolarHBondContact O-CG 3.34Å; V511-K515 PolarHBondContact O-N 3.1Å; K512-K515 PolarHBondContact O-N 3.36Å; K515-K517 PolarHBondContact O-N 2.77Å; K515-K518 PolarHBondContact O-N 2.84Å; K515-K518 VanDerWaalsContact O-N 3.16Å; K515-S519 PolarHBondContact O-N 2.88Å; K515-S519 PolarHBondContact O-OG 3.35Å |
| 516 | L | 85.6 | Confident | 84.8 | Confident | 115 Ų | 115 | 113.9 Ų | 113.9 | 60% | 0.602 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.5 | -44.4 | 177.2 | -73.6 | 168.1 | 0 | 0 | 0 | 112.4 | K512 K518 S519 L520 | K512-L516 WeakPolarHBondContact O-CG 3.24Å; K512-L516 PolarHBondContact O-N 3.42Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.27Å; L516-S519 WeakPolarHBondContact CA-OG 3.33Å; L516-S519 PolarHBondContact O-N 3.16Å; L516-S519 PolarHBondContact O-OG 3.44Å; L516-L520 WeakPolarHBondContact O-CB 3.18Å; L516-L520 PolarHBondContact O-N 3.21Å; L516-L520 VanDerWaalsContact O-N 3.08Å |
| 517 | K | 83.8 | Confident | 84.2 | Confident | 144 Ų | 144 | 109.8 Ų | 109.8 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.3 | -37.6 | 174.3 | -75.1 | 168.5 | -178.9 | 172.9 | 0 | 112.2 | T513 L514 K515 L520 A521 | T513-K517 WeakPolarHBondContact O-CB 3.28Å; T513-K517 VanDerWaalsContact O-CG 3.25Å; T513-K517 WeakPolarHBondContact O-CG 3.4Å; T513-K517 PolarHBondContact O-N 2.66Å; L514-K517 PolarHBondContact O-N 3.27Å; K515-K517 PolarHBondContact O-N 2.77Å; K517-L520 PolarHBondContact O-N 2.83Å; K517-A521 PolarHBondContact O-N 3.05Å |
| 518 | K | 84.5 | Confident | 83.5 | Confident | 181 Ų | 181 | 108.8 Ų | 108.8 | 79% | 0.787 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.2 | -30.9 | 177 | -168.7 | 171.6 | -178.4 | 178.6 | 0 | 112.9 | L514 K515 L516 L520 | L514-K518 WeakPolarHBondContact O-CB 3.45Å; L514-K518 PolarHBondContact O-N 3.44Å; K515-K518 PolarHBondContact O-N 2.84Å; K515-K518 VanDerWaalsContact O-N 3.16Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.27Å; K518-L520 VanDerWaalsContact C-N 3.34Å |
| 519 | S | 77 | Confident | 82.8 | Confident | 91 Ų | 91 | 113.4 Ų | 113.4 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -82.1 | -7.7 | 172.5 | 54.9 | 0 | 0 | 0 | 0 | 114.7 | K515 L516 | K515-S519 PolarHBondContact O-N 2.88Å; K515-S519 PolarHBondContact O-OG 3.35Å; L516-S519 WeakPolarHBondContact CA-OG 3.33Å; L516-S519 PolarHBondContact O-N 3.16Å; L516-S519 PolarHBondContact O-OG 3.44Å |
| 520 | L | 69.5 | Low | 82 | Confident | 152 Ų | 152 | 114.4 Ų | 114.4 | 80% | 0.796 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 5.2 | 176.5 | -149.4 | 78.2 | 0 | 0 | 0 | 112.6 | L516 K517 K518 | L516-L520 WeakPolarHBondContact O-CB 3.18Å; L516-L520 PolarHBondContact O-N 3.21Å; L516-L520 VanDerWaalsContact O-N 3.08Å; K517-L520 PolarHBondContact O-N 2.83Å; K518-L520 VanDerWaalsContact C-N 3.34Å |
| 521 | A | 58.5 | Low | 81.1 | Confident | 68 Ų | 68 | 117.2 Ų | 117.2 | 56% | 0.562 | 63% | 0.629 | S | S | * | * | trans | -78 | 130.3 | 166 | 0 | 0 | 0 | 0 | 0 | 108.8 | K517 | K517-A521 PolarHBondContact O-N 3.05Š| ||
| 522 | P | 59.6 | Low | 79.9 | Confident | 202 Ų | 202 | 123.5 Ų | 123.5 | 100% | 1.312 | 66% | 0.66 | S | S | * | * | trans | -77.5 | 0 | -178.9 | 34.3 | -37 | 0 | 0 | 0 | 113.3 |
Retrieved 522 of 522 residues in 342.9 ms
(Link to these results)