| 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 | 45 | Very low | 63.3 | Low | 165 Ų | 165 | 94.3 Ų | 94.3 | 81% | 0.813 | 48% | 0.482 | S | S | * | . | 0 | 132.3 | 0 | -62.3 | -168.7 | -154.2 | 0 | 0 | 107.6 | R7 P8 | M1-R7 HydrophobicContact SD-CG 4.28Å; M1-P8 HydrophobicContact CE-CG 4.44Å | |||
| 2 | K | 50.3 | Low | 65.4 | Low | 161 Ų | 161 | 91.3 Ų | 91.3 | 70% | 0.7 | 48% | 0.483 | S | S | * | . | trans | -67.2 | 144.1 | 171.2 | -69.5 | 174 | -178.8 | 166.2 | 0 | 108.4 | G4 E5 | K2-G4 PolarHBondContact O-N 3.03Å; K2-G4 VanDerWaalsContact O-N 3.11Å; K2-E5 HydrophobicContact CB-CG 4.07Å; K2-E5 PolarHBondContact N-OE2 3.16Å; K2-E5 PolarHBondContact O-N 3.4Å | ||
| 3 | I | 54.5 | Low | 67.1 | Low | 101 Ų | 101 | 89.5 Ų | 89.5 | 52% | 0.518 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 119 | 178.2 | -59.9 | 167.4 | 0 | 0 | 0 | 108 | P58 L139 | I3-P58 HydrophobicContact CD1-CB 3.9Å; I3-P58 HydrophobicContact CD1-CG 4.18Å; I3-P58 HydrophobicContact CG1-CB 4.48Å; I3-L139 HydrophobicContact CB-CD2 4.39Å; I3-L139 HydrophobicContact CG2-CD1 3.26Å; I3-L139 HydrophobicContact CG2-CD2 3.79Å; I3-L139 HydrophobicContact CG2-CG 3.95Å |
| 4 | G | 53 | Low | 68.5 | Low | 43 Ų | 43 | 84.2 Ų | 84.2 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.8 | -4.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | K2 | K2-G4 PolarHBondContact O-N 3.03Å; K2-G4 VanDerWaalsContact O-N 3.11Å |
| 5 | E | 60.7 | Low | 70 | Confident | 98 Ų | 98 | 88.1 Ų | 88.1 | 46% | 0.458 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -67.1 | 138.1 | 164.2 | -79.5 | 170.2 | 176.6 | 0 | 0 | 109.8 | K2 R7 | K2-E5 HydrophobicContact CB-CG 4.07Å; K2-E5 PolarHBondContact N-OE2 3.16Å; K2-E5 PolarHBondContact O-N 3.4Å; E5-R7 PolarHBondContact O-N 3.4Å |
| 6 | L | 59.7 | Low | 71.3 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 34% | 0.335 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 124.9 | 171.2 | -81 | 158.5 | 0 | 0 | 0 | 108.9 | Q10 V14 L43 | L6-Q10 HydrophobicContact CD2-CB 3.73Å; L6-V14 HydrophobicContact CD2-CG2 4.06Å; L6-L43 HydrophobicContact CD2-CB 4.34Å; L6-L43 WeakPolarHBondContact CD2-O 3.48Å |
| 7 | R | 68.7 | Low | 72.3 | Confident | 112 Ų | 112 | 81.8 Ų | 81.8 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -59 | 147.2 | 167 | -66 | 174.4 | -72.7 | 178.3 | 0.3 | 108.2 | M1 E5 E9 Q10 S11 | M1-R7 HydrophobicContact SD-CG 4.28Å; E5-R7 PolarHBondContact O-N 3.4Å; R7-E9 PolarHBondContact O-N 3.21Å; R7-E9 VanDerWaalsContact O-N 3.16Å; R7-Q10 HydrophobicContact CB-CB 4.38Å; R7-Q10 HydrophobicContact CB-CG 4.05Å; R7-Q10 CarbonylContact O-C 3.38Å; R7-Q10 WeakPolarHBondContact O-CA 3.28Å; R7-Q10 WeakPolarHBondContact O-CB 3.23Å; R7-Q10 PolarHBondContact O-N 2.99Å; R7-S11 PolarHBondContact O-N 2.97Å |
| 8 | P | 70.7 | Confident | 73.3 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 53% | 0.526 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -55.1 | -37.3 | 179 | 20.8 | -32.3 | 0 | 0 | 0 | 112.3 | M1 Q10 S11 A12 | M1-P8 HydrophobicContact CE-CG 4.44Å; P8-Q10 VanDerWaalsContact C-N 3.32Å; P8-Q10 PolarHBondContact O-N 2.72Å; P8-S11 VanDerWaalsContact CA-OG 3.29Å; P8-S11 WeakPolarHBondContact CA-OG 3.29Å; P8-S11 PolarHBondContact O-N 3.06Å; P8-S11 PolarHBondContact O-OG 3.39Å; P8-A12 PolarHBondContact O-N 3.19Å; P8-A12 VanDerWaalsContact O-N 3.16Å |
| 9 | E | 72.9 | Confident | 74.2 | Confident | 154 Ų | 154 | 85.1 Ų | 85.1 | 72% | 0.72 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -55.7 | -45.6 | 171 | -58.1 | -68.8 | 165 | 0 | 0 | 111.7 | R7 A12 T13 | R7-E9 PolarHBondContact O-N 3.21Å; R7-E9 VanDerWaalsContact O-N 3.16Å; E9-A12 PolarHBondContact O-N 3.19Å; E9-T13 PolarHBondContact O-N 3.04Å; E9-T13 VanDerWaalsContact O-N 3.16Å; E9-T13 PolarHBondContact O-OG1 2.86Å |
| 10 | Q | 78.8 | Confident | 75 | Confident | 16 Ų | 16 | 86.3 Ų | 86.3 | 8% | 0.075 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71 | -35 | 179.8 | -65.2 | 176.1 | -60.7 | 0 | 0 | 112.2 | L6 R7 P8 A12 T13 V14 L43 | L6-Q10 HydrophobicContact CD2-CB 3.73Å; R7-Q10 HydrophobicContact CB-CB 4.38Å; R7-Q10 HydrophobicContact CB-CG 4.05Å; R7-Q10 CarbonylContact O-C 3.38Å; R7-Q10 WeakPolarHBondContact O-CA 3.28Å; R7-Q10 WeakPolarHBondContact O-CB 3.23Å; R7-Q10 PolarHBondContact O-N 2.99Å; P8-Q10 VanDerWaalsContact C-N 3.32Å; P8-Q10 PolarHBondContact O-N 2.72Å; Q10-A12 VanDerWaalsContact C-N 3.35Å; Q10-T13 PolarHBondContact O-N 3.35Å; Q10-V14 WeakPolarHBondContact O-CB 3.49Å; Q10-V14 WeakPolarHBondContact O-CG2 3.33Å; Q10-V14 PolarHBondContact O-N 3.31Å; Q10-L43 HydrophobicContact CB-CD2 4.28Å; Q10-L43 HydrophobicContact CG-CD2 4.04Å |
| 11 | S | 82.4 | Confident | 75.5 | Confident | 42 Ų | 42 | 83.3 Ų | 83.3 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.4 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | R7 P8 V14 E15 | R7-S11 PolarHBondContact O-N 2.97Å; P8-S11 VanDerWaalsContact CA-OG 3.29Å; P8-S11 WeakPolarHBondContact CA-OG 3.29Å; P8-S11 PolarHBondContact O-N 3.06Å; P8-S11 PolarHBondContact O-OG 3.39Å; S11-V14 PolarHBondContact O-N 3.32Å; S11-E15 WeakPolarHBondContact O-CG 3.35Å; S11-E15 PolarHBondContact O-N 3.13Å |
| 12 | A | 87.8 | Confident | 77.5 | Confident | 59 Ų | 59 | 82.7 Ų | 82.7 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P8 E9 Q10 V14 E15 A16 | P8-A12 PolarHBondContact O-N 3.19Å; P8-A12 VanDerWaalsContact O-N 3.16Å; E9-A12 PolarHBondContact O-N 3.19Å; Q10-A12 VanDerWaalsContact C-N 3.35Å; A12-V14 VanDerWaalsContact C-N 3.35Å; A12-V14 PolarHBondContact O-N 3.27Å; A12-E15 PolarHBondContact O-N 3.02Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 2.75Å |
| 13 | T | 87.5 | Confident | 79.3 | Confident | 68 Ų | 68 | 81 Ų | 81 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 174 | -49.2 | 0 | 0 | 0 | 0 | 112.1 | E9 Q10 A16 L17 L43 | E9-T13 PolarHBondContact O-N 3.04Å; E9-T13 VanDerWaalsContact O-N 3.16Å; E9-T13 PolarHBondContact O-OG1 2.86Å; Q10-T13 PolarHBondContact O-N 3.35Å; T13-A16 PolarHBondContact O-N 2.97Å; T13-L17 HydrophobicContact CG2-CD1 4.18Å; T13-L17 HydrophobicContact CG2-CG 4.46Å; T13-L17 WeakPolarHBondContact O-CB 3.5Å; T13-L17 WeakPolarHBondContact O-CG 3.46Å; T13-L17 PolarHBondContact O-N 3.31Å; T13-L43 HydrophobicContact CG2-CD1 3.93Å |
| 14 | V | 87.8 | Confident | 80.7 | Confident | 15 Ų | 15 | 78.9 Ų | 78.9 | 9% | 0.091 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 177 | 165.3 | 0 | 0 | 0 | 0 | 111 | L6 Q10 S11 A12 L17 V18 L40 L43 R44 | L6-V14 HydrophobicContact CD2-CG2 4.06Å; Q10-V14 WeakPolarHBondContact O-CB 3.49Å; Q10-V14 WeakPolarHBondContact O-CG2 3.33Å; Q10-V14 PolarHBondContact O-N 3.31Å; S11-V14 PolarHBondContact O-N 3.32Å; A12-V14 VanDerWaalsContact C-N 3.35Å; A12-V14 PolarHBondContact O-N 3.27Å; V14-L17 PolarHBondContact O-N 2.85Å; V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.45Å; V14-V18 PolarHBondContact O-N 3.33Å; V14-L40 HydrophobicContact CB-CD2 4.33Å; V14-L40 HydrophobicContact CG1-CD2 3.99Å; V14-L40 HydrophobicContact CG2-CD2 4.38Å; V14-L43 HydrophobicContact CG2-CB 3.45Å; V14-L43 VanDerWaalsContact CG2-CB 3.45Å; V14-L43 HydrophobicContact CG2-CD1 3.83Å; V14-L43 HydrophobicContact CG2-CG 4.29Å; V14-R44 HydrophobicContact CG1-CG 4.31Å |
| 15 | E | 89.9 | Confident | 82.2 | Confident | 142 Ų | 142 | 80.8 Ų | 80.8 | 66% | 0.664 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.8 | -42.4 | 178 | -72.6 | 176.8 | -171.2 | 0 | 0 | 111.9 | S11 A12 V18 R19 | S11-E15 WeakPolarHBondContact O-CG 3.35Å; S11-E15 PolarHBondContact O-N 3.13Å; A12-E15 PolarHBondContact O-N 3.02Å; E15-V18 PolarHBondContact O-N 3.29Å; E15-R19 PolarHBondContact O-N 3.44Å |
| 16 | A | 90.9 | Very high | 83.1 | Confident | 41 Ų | 41 | 78.6 Ų | 78.6 | 34% | 0.339 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | A12 T13 V18 R19 E20 | A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 2.75Å; T13-A16 PolarHBondContact O-N 2.97Å; A16-V18 VanDerWaalsContact C-N 3.34Å; A16-V18 PolarHBondContact O-N 2.68Å; A16-R19 WeakPolarHBondContact O-CB 3.46Å; A16-R19 PolarHBondContact O-N 3.11Å; A16-R19 VanDerWaalsContact O-N 3.16Å; A16-E20 WeakPolarHBondContact O-CG 3.38Å; A16-E20 PolarHBondContact O-N 2.83Å |
| 17 | L | 89.3 | Confident | 84.5 | Confident | 28 Ų | 28 | 82.1 Ų | 82.1 | 15% | 0.147 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 178.6 | -76.3 | 174.6 | 0 | 0 | 0 | 112.8 | T13 V14 R19 E20 L21 A36 E39 L40 L43 | T13-L17 HydrophobicContact CG2-CD1 4.18Å; T13-L17 HydrophobicContact CG2-CG 4.46Å; T13-L17 WeakPolarHBondContact O-CB 3.5Å; T13-L17 WeakPolarHBondContact O-CG 3.46Å; T13-L17 PolarHBondContact O-N 3.31Å; V14-L17 PolarHBondContact O-N 2.85Å; L17-R19 VanDerWaalsContact C-N 3.34Å; L17-E20 PolarHBondContact O-N 3.37Å; L17-L21 WeakPolarHBondContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 3.36Å; L17-A36 HydrophobicContact CD2-CB 4.46Å; L17-E39 HydrophobicContact CD1-CB 4.21Å; L17-E39 HydrophobicContact CD1-CG 3.6Å; L17-L40 HydrophobicContact CB-CD2 3.61Å; L17-L40 HydrophobicContact CB-CG 4.01Å; L17-L40 HydrophobicContact CD1-CD2 4.14Å; L17-L40 HydrophobicContact CD1-CG 4.42Å; L17-L43 HydrophobicContact CD1-CD1 3.95Å |
| 18 | V | 89.3 | Confident | 85.6 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 175 | 169.3 | 0 | 0 | 0 | 0 | 111 | V14 E15 A16 Q22 L40 | V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.45Å; V14-V18 PolarHBondContact O-N 3.33Å; E15-V18 PolarHBondContact O-N 3.29Å; A16-V18 VanDerWaalsContact C-N 3.34Å; A16-V18 PolarHBondContact O-N 2.68Å; V18-Q22 WeakPolarHBondContact O-CG 3.45Å; V18-Q22 PolarHBondContact O-N 3.24Å; V18-L40 HydrophobicContact CG2-CD1 3.83Å; V18-L40 HydrophobicContact CG2-CD2 3.94Å |
| 19 | R | 91.2 | Very high | 86.5 | Confident | 182 Ų | 182 | 80.8 Ų | 80.8 | 69% | 0.687 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 177.5 | -179.2 | -177 | 174.1 | -169.7 | -2.3 | 111.7 | E15 A16 L17 Q22 N23 | E15-R19 PolarHBondContact O-N 3.44Å; A16-R19 WeakPolarHBondContact O-CB 3.46Å; A16-R19 PolarHBondContact O-N 3.11Å; A16-R19 VanDerWaalsContact O-N 3.16Å; L17-R19 VanDerWaalsContact C-N 3.34Å; R19-Q22 PolarHBondContact O-N 3.11Å; R19-N23 PolarHBondContact O-N 2.92Å; R19-N23 PolarHBondContact O-ND2 3.26Å |
| 20 | E | 89.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 77.4 Ų | 77.4 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 178.1 | -73.4 | 174 | -160 | 0 | 0 | 111.2 | A16 L17 Q22 N23 L24 | A16-E20 WeakPolarHBondContact O-CG 3.38Å; A16-E20 PolarHBondContact O-N 2.83Å; L17-E20 PolarHBondContact O-N 3.37Å; E20-Q22 PolarHBondContact O-N 3.2Å; E20-N23 PolarHBondContact O-N 3.39Å; E20-L24 VanDerWaalsContact O-CG 3.3Å; E20-L24 WeakPolarHBondContact O-CG 3.06Å; E20-L24 PolarHBondContact O-N 3.43Å |
| 21 | L | 85.7 | Confident | 87.7 | Confident | 23 Ų | 23 | 80.4 Ų | 80.4 | 12% | 0.12 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.3 | -29.5 | 175.8 | -84.1 | 179.8 | 0 | 0 | 0 | 114.1 | L17 N23 L24 Y33 A36 E37 L40 | L17-L21 WeakPolarHBondContact O-CB 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.29Å; L17-L21 PolarHBondContact O-N 3.36Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-L24 HydrophobicContact CD2-CD1 4.46Å; L21-Y33 HydrophobicContact CD2-CD2 3.6Å; L21-Y33 HydrophobicContact CD2-CE2 3.85Å; L21-Y33 HydrophobicContact CD2-CG 4.14Å; L21-A36 HydrophobicContact CD1-CB 4.07Å; L21-A36 HydrophobicContact CD2-CB 3.53Å; L21-A36 HydrophobicContact CG-CB 3.78Å; L21-E37 HydrophobicContact CD1-CG 4.29Å; L21-L40 HydrophobicContact CD1-CD1 3.38Å; L21-L40 HydrophobicContact CD1-CG 4.36Å |
| 22 | Q | 87.1 | Confident | 88.1 | Confident | 152 Ų | 152 | 82.7 Ų | 82.7 | 71% | 0.71 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -72.1 | -27.6 | 174.8 | -72 | 172.7 | -3.2 | 0 | 0 | 112.9 | V18 R19 E20 | V18-Q22 WeakPolarHBondContact O-CG 3.45Å; V18-Q22 PolarHBondContact O-N 3.24Å; R19-Q22 PolarHBondContact O-N 3.11Å; E20-Q22 PolarHBondContact O-N 3.2Å |
| 23 | N | 88 | Confident | 88.1 | Confident | 127 Ų | 127 | 83.5 Ų | 83.5 | 68% | 0.679 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -92.6 | -19.7 | 179.5 | -63 | -52.4 | 0 | 0 | 0 | 112.7 | R19 E20 L21 | R19-N23 PolarHBondContact O-N 2.92Å; R19-N23 PolarHBondContact O-ND2 3.26Å; E20-N23 PolarHBondContact O-N 3.39Å; L21-N23 VanDerWaalsContact C-N 3.33Å |
| 24 | L | 83.8 | Confident | 88.1 | Confident | 56 Ų | 56 | 83 Ų | 83 | 29% | 0.293 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -78.7 | 125.1 | 177.8 | -70.9 | 171.7 | 0 | 0 | 0 | 110.5 | E20 L21 S26 | E20-L24 VanDerWaalsContact O-CG 3.3Å; E20-L24 WeakPolarHBondContact O-CG 3.06Å; E20-L24 PolarHBondContact O-N 3.43Å; L21-L24 HydrophobicContact CD2-CD1 4.46Å; L24-S26 PolarHBondContact O-N 3.11Å |
| 25 | D | 83.8 | Confident | 88.2 | Confident | 82 Ų | 82 | 87.7 Ų | 87.7 | 44% | 0.439 | 47% | 0.469 | S | S | . | . | trans | -73 | 118.6 | 169.2 | 178.4 | 12 | 0 | 0 | 0 | 110.1 | N27 A28 F29 | D25-N27 PolarHBondContact O-N 3.39Å; D25-N27 PolarHBondContact OD1-N 3.31Å; D25-A28 HydrophobicContact CB-CB 3.98Å; D25-A28 PolarHBondContact O-N 3.49Å; D25-F29 PolarHBondContact O-N 3.02Å; D25-F29 VanDerWaalsContact O-N 3.13Å | ||
| 26 | S | 81.2 | Confident | 88.1 | Confident | 52 Ų | 52 | 81.5 Ų | 81.5 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27 | 178.6 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | L24 P30 | L24-S26 PolarHBondContact O-N 3.11Å; S26-P30 WeakPolarHBondContact O-CA 3.36Å |
| 27 | N | 87.7 | Confident | 87.8 | Confident | 138 Ų | 138 | 84 Ų | 84 | 74% | 0.738 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -34.9 | -179.7 | -60.3 | -48.8 | 0 | 0 | 0 | 112 | D25 | D25-N27 PolarHBondContact O-N 3.39Å; D25-N27 PolarHBondContact OD1-N 3.31Å |
| 28 | A | 91.2 | Very high | 87.7 | Confident | 53 Ų | 53 | 87.4 Ų | 87.4 | 44% | 0.438 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D25 | D25-A28 HydrophobicContact CB-CB 3.98Å; D25-A28 PolarHBondContact O-N 3.49Å |
| 29 | F | 90.7 | Very high | 87.7 | Confident | 113 Ų | 113 | 88 Ų | 88 | 50% | 0.496 | 47% | 0.465 | S | S | . | . | trans | -132.1 | 65.5 | -174.8 | -55.2 | -75 | 0 | 0 | 0 | 113 | D25 A31 L32 Y33 | D25-F29 PolarHBondContact O-N 3.02Å; D25-F29 VanDerWaalsContact O-N 3.13Å; F29-A31 VanDerWaalsContact C-N 3.27Å; F29-A31 PolarHBondContact O-N 3.17Å; F29-L32 HydrophobicContact CB-CB 4.05Å; F29-L32 HydrophobicContact CB-CD1 4.05Å; F29-L32 HydrophobicContact CB-CG 4.32Å; F29-L32 HydrophobicContact CD1-CD1 4.2Å; F29-L32 HydrophobicContact CG-CD1 4.2Å; F29-L32 PolarHBondContact O-N 3.48Å; F29-Y33 PolarHBondContact O-N 3.29Å | ||
| 30 | P | 88.7 | Confident | 87.5 | Confident | 83 Ų | 83 | 79.9 Ų | 79.9 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.1 | -35.5 | -176.6 | 24.1 | -34.5 | 0 | 0 | 0 | 112.9 | S26 S34 | S26-P30 WeakPolarHBondContact O-CA 3.36Å; P30-S34 WeakPolarHBondContact O-CB 3.19Å; P30-S34 PolarHBondContact O-N 3.06Å |
| 31 | A | 88.4 | Confident | 87.2 | Confident | 79 Ų | 79 | 78 Ų | 78 | 65% | 0.653 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.4 | -41.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F29 L35 | F29-A31 VanDerWaalsContact C-N 3.27Å; F29-A31 PolarHBondContact O-N 3.17Å; A31-L35 WeakPolarHBondContact O-CB 3.43Å; A31-L35 PolarHBondContact O-N 2.76Å |
| 32 | L | 89.8 | Confident | 87.2 | Confident | 90 Ų | 90 | 79 Ų | 79 | 47% | 0.471 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 177.1 | -68.9 | 177.9 | 0 | 0 | 0 | 111.2 | F29 S34 L35 A36 | F29-L32 HydrophobicContact CB-CB 4.05Å; F29-L32 HydrophobicContact CB-CD1 4.05Å; F29-L32 HydrophobicContact CB-CG 4.32Å; F29-L32 HydrophobicContact CD1-CD1 4.2Å; F29-L32 HydrophobicContact CG-CD1 4.2Å; F29-L32 PolarHBondContact O-N 3.48Å; L32-S34 PolarHBondContact O-N 2.65Å; L32-L35 PolarHBondContact O-N 3.1Å; L32-A36 WeakPolarHBondContact O-CB 3.31Å; L32-A36 PolarHBondContact O-N 2.83Å |
| 33 | Y | 87.6 | Confident | 87.2 | Confident | 76 Ų | 76 | 72 Ų | 72 | 30% | 0.298 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.5 | -50 | 175 | -169.2 | -88.9 | 0 | 0 | 0 | 111 | L21 F29 L35 A36 E37 | L21-Y33 HydrophobicContact CD2-CD2 3.6Å; L21-Y33 HydrophobicContact CD2-CE2 3.85Å; L21-Y33 HydrophobicContact CD2-CG 4.14Å; F29-Y33 PolarHBondContact O-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.15Å; Y33-A36 PolarHBondContact O-N 3.36Å; Y33-E37 HydrophobicContact CD1-CG 4.08Å; Y33-E37 HydrophobicContact CE1-CG 3.81Å; Y33-E37 VanDerWaalsContact CE1-OE1 3.28Å; Y33-E37 WeakPolarHBondContact CE1-OE1 3.34Å; Y33-E37 WeakPolarHBondContact O-CG 3.32Å; Y33-E37 PolarHBondContact O-N 3.07Å |
| 34 | S | 87.7 | Confident | 87 | Confident | 57 Ų | 57 | 72.1 Ų | 72.1 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 112.6 | P30 L32 A36 E37 N38 | P30-S34 WeakPolarHBondContact O-CB 3.19Å; P30-S34 PolarHBondContact O-N 3.06Å; L32-S34 PolarHBondContact O-N 2.65Å; S34-A36 PolarHBondContact O-N 3.16Å; S34-E37 PolarHBondContact O-N 3.32Å; S34-N38 WeakPolarHBondContact O-CB 3.16Å; S34-N38 VanDerWaalsContact O-CG 3.23Å; S34-N38 PolarHBondContact O-N 3.49Å; S34-N38 PolarHBondContact O-ND2 2.98Å |
| 35 | L | 89.7 | Confident | 86.8 | Confident | 113 Ų | 113 | 70 Ų | 70 | 59% | 0.592 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.5 | -46.9 | 177.1 | 179.9 | 62.5 | 0 | 0 | 0 | 111.6 | A31 L32 Y33 N38 E39 | A31-L35 WeakPolarHBondContact O-CB 3.43Å; A31-L35 PolarHBondContact O-N 2.76Å; L32-L35 PolarHBondContact O-N 3.1Å; Y33-L35 PolarHBondContact O-N 3.15Å; L35-N38 PolarHBondContact O-N 3.45Å; L35-E39 WeakPolarHBondContact O-CB 3.31Å; L35-E39 PolarHBondContact O-N 3Å |
| 36 | A | 88.3 | Confident | 86.8 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L17 L21 L32 Y33 S34 E39 L40 | L17-A36 HydrophobicContact CD2-CB 4.46Å; L21-A36 HydrophobicContact CD1-CB 4.07Å; L21-A36 HydrophobicContact CD2-CB 3.53Å; L21-A36 HydrophobicContact CG-CB 3.78Å; L32-A36 WeakPolarHBondContact O-CB 3.31Å; L32-A36 PolarHBondContact O-N 2.83Å; Y33-A36 PolarHBondContact O-N 3.36Å; S34-A36 PolarHBondContact O-N 3.16Å; A36-E39 PolarHBondContact O-N 3.24Å; A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 WeakPolarHBondContact O-CG 3.45Å; A36-L40 PolarHBondContact O-N 3.33Å |
| 37 | E | 85.8 | Confident | 87.1 | Confident | 94 Ų | 94 | 65.3 Ų | 65.3 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 172.6 | -76 | -162.8 | 138.4 | 0 | 0 | 112.5 | L21 Y33 S34 E39 L40 F41 | L21-E37 HydrophobicContact CD1-CG 4.29Å; Y33-E37 HydrophobicContact CD1-CG 4.08Å; Y33-E37 HydrophobicContact CE1-CG 3.81Å; Y33-E37 VanDerWaalsContact CE1-OE1 3.28Å; Y33-E37 WeakPolarHBondContact CE1-OE1 3.34Å; Y33-E37 WeakPolarHBondContact O-CG 3.32Å; Y33-E37 PolarHBondContact O-N 3.07Å; S34-E37 PolarHBondContact O-N 3.32Å; E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 2.96Å; E37-L40 PolarHBondContact O-N 3.23Å; E37-F41 WeakPolarHBondContact O-CB 3.39Å; E37-F41 PolarHBondContact O-N 3.3Å |
| 38 | N | 86.9 | Confident | 86.8 | Confident | 99 Ų | 99 | 60 Ų | 60 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 177.1 | -72.1 | -37.6 | 0 | 0 | 0 | 111.4 | S34 L35 F41 R42 | S34-N38 WeakPolarHBondContact O-CB 3.16Å; S34-N38 VanDerWaalsContact O-CG 3.23Å; S34-N38 PolarHBondContact O-N 3.49Å; S34-N38 PolarHBondContact O-ND2 2.98Å; L35-N38 PolarHBondContact O-N 3.45Å; N38-F41 WeakPolarHBondContact O-CB 3.37Å; N38-F41 PolarHBondContact O-N 3.04Å; N38-R42 WeakPolarHBondContact O-CB 3.28Å; N38-R42 PolarHBondContact O-N 3.12Å |
| 39 | E | 89.5 | Confident | 86.4 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 176.8 | -176.3 | 59.7 | -167.2 | 0 | 0 | 111.8 | L17 L35 A36 E37 F41 R42 L43 | L17-E39 HydrophobicContact CD1-CB 4.21Å; L17-E39 HydrophobicContact CD1-CG 3.6Å; L35-E39 WeakPolarHBondContact O-CB 3.31Å; L35-E39 PolarHBondContact O-N 3Å; A36-E39 PolarHBondContact O-N 3.24Å; E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 2.96Å; E39-F41 VanDerWaalsContact C-N 3.31Å; E39-F41 PolarHBondContact O-N 3.17Å; E39-R42 WeakPolarHBondContact O-CB 3.47Å; E39-R42 PolarHBondContact O-N 3.06Å; E39-R42 VanDerWaalsContact O-N 3.14Å; E39-R42 IonicContact OE1-CZ 2.74Å; E39-R42 IonicContact OE1-NE 3.08Å; E39-R42 PolarHBondContact OE1-NE 3.49Å; E39-R42 IonicContact OE1-NH2 3.51Å; E39-R42 PolarHBondContact OE1-NH2 3.1Å; E39-R42 IonicContact OE2-CZ 3.41Å; E39-R42 IonicContact OE2-NE 3.43Å; E39-R42 PolarHBondContact OE2-NE 3.36Å; E39-R42 IonicContact OE2-NH2 3.73Å; E39-R42 PolarHBondContact OE2-NH2 2.93Å; E39-L43 HydrophobicContact CG-CD1 4.1Å; E39-L43 HydrophobicContact CG-CG 4.44Å; E39-L43 WeakPolarHBondContact O-CG 3.29Å; E39-L43 PolarHBondContact O-N 3.18Å |
| 40 | L | 86.2 | Confident | 86.2 | Confident | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 172.2 | -79.3 | -176.5 | 0 | 0 | 0 | 112.1 | V14 L17 V18 L21 A36 E37 R42 R44 | V14-L40 HydrophobicContact CB-CD2 4.33Å; V14-L40 HydrophobicContact CG1-CD2 3.99Å; V14-L40 HydrophobicContact CG2-CD2 4.38Å; L17-L40 HydrophobicContact CB-CD2 3.61Å; L17-L40 HydrophobicContact CB-CG 4.01Å; L17-L40 HydrophobicContact CD1-CD2 4.14Å; L17-L40 HydrophobicContact CD1-CG 4.42Å; V18-L40 HydrophobicContact CG2-CD1 3.83Å; V18-L40 HydrophobicContact CG2-CD2 3.94Å; L21-L40 HydrophobicContact CD1-CD1 3.38Å; L21-L40 HydrophobicContact CD1-CG 4.36Å; A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 WeakPolarHBondContact O-CG 3.45Å; A36-L40 PolarHBondContact O-N 3.33Å; E37-L40 PolarHBondContact O-N 3.23Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 2.85Å; L40-R44 WeakPolarHBondContact O-CB 3.47Å; L40-R44 WeakPolarHBondContact O-CG 3.24Å; L40-R44 PolarHBondContact O-N 3.43Å |
| 41 | F | 82.8 | Confident | 86.2 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 31% | 0.307 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.1 | 179.8 | -97.3 | 0 | 0 | 0 | 111.5 | E37 N38 E39 G45 I47 R62 | E37-F41 WeakPolarHBondContact O-CB 3.39Å; E37-F41 PolarHBondContact O-N 3.3Å; N38-F41 WeakPolarHBondContact O-CB 3.37Å; N38-F41 PolarHBondContact O-N 3.04Å; E39-F41 VanDerWaalsContact C-N 3.31Å; E39-F41 PolarHBondContact O-N 3.17Å; F41-G45 PolarHBondContact O-N 3.48Å; F41-I47 HydrophobicContact CE1-CD1 4.41Å; F41-R62 VanDerWaalsContact CZ-NH1 3.31Å |
| 42 | R | 86.7 | Confident | 86.1 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.7 | -50.9 | 178.4 | -169.6 | -173.2 | 68.3 | 92.5 | -17 | 112.3 | N38 E39 L40 G45 G46 I47 D49 | N38-R42 WeakPolarHBondContact O-CB 3.28Å; N38-R42 PolarHBondContact O-N 3.12Å; E39-R42 WeakPolarHBondContact O-CB 3.47Å; E39-R42 PolarHBondContact O-N 3.06Å; E39-R42 VanDerWaalsContact O-N 3.14Å; E39-R42 IonicContact OE1-CZ 2.74Å; E39-R42 IonicContact OE1-NE 3.08Å; E39-R42 PolarHBondContact OE1-NE 3.49Å; E39-R42 IonicContact OE1-NH2 3.51Å; E39-R42 PolarHBondContact OE1-NH2 3.1Å; E39-R42 IonicContact OE2-CZ 3.41Å; E39-R42 IonicContact OE2-NE 3.43Å; E39-R42 PolarHBondContact OE2-NE 3.36Å; E39-R42 IonicContact OE2-NH2 3.73Å; E39-R42 PolarHBondContact OE2-NH2 2.93Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 2.85Å; R42-G45 PolarHBondContact O-N 2.63Å; R42-G46 PolarHBondContact O-N 3.4Å; R42-I47 HydrophobicContact CG-CB 3.78Å; R42-I47 HydrophobicContact CG-CD1 4.43Å; R42-I47 HydrophobicContact CG-CG2 4.19Å; R42-I47 PolarHBondContact NH1-O 3.14Å; R42-I47 PolarHBondContact O-N 2.91Å; R42-I47 VanDerWaalsContact O-N 3.07Å; R42-D49 IonicContact CZ-OD2 3.84Å; R42-D49 VanDerWaalsContact CZ-OD2 3.24Å; R42-D49 IonicContact NH1-OD1 3.83Å; R42-D49 IonicContact NH1-OD2 3.47Å; R42-D49 PolarHBondContact NH1-OD2 3.34Å; R42-D49 IonicContact NH2-OD2 2.81Å; R42-D49 PolarHBondContact NH2-OD2 2.88Å |
| 43 | L | 86.4 | Confident | 86 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.1 | -51.6 | -179.4 | -66.6 | 175.5 | 0 | 0 | 0 | 110.9 | L6 Q10 T13 V14 L17 E39 G45 G46 | L6-L43 HydrophobicContact CD2-CB 4.34Å; L6-L43 WeakPolarHBondContact CD2-O 3.48Å; Q10-L43 HydrophobicContact CB-CD2 4.28Å; Q10-L43 HydrophobicContact CG-CD2 4.04Å; T13-L43 HydrophobicContact CG2-CD1 3.93Å; V14-L43 HydrophobicContact CG2-CB 3.45Å; V14-L43 VanDerWaalsContact CG2-CB 3.45Å; V14-L43 HydrophobicContact CG2-CD1 3.83Å; V14-L43 HydrophobicContact CG2-CG 4.29Å; L17-L43 HydrophobicContact CD1-CD1 3.95Å; E39-L43 HydrophobicContact CG-CD1 4.1Å; E39-L43 HydrophobicContact CG-CG 4.44Å; E39-L43 WeakPolarHBondContact O-CG 3.29Å; E39-L43 PolarHBondContact O-N 3.18Å; L43-G45 PolarHBondContact O-N 2.95Å; L43-G46 PolarHBondContact O-N 2.98Å |
| 44 | R | 83.6 | Confident | 86.3 | Confident | 128 Ų | 128 | 65.1 Ų | 65.1 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.8 | -31.4 | 176.7 | -68.9 | 174.7 | 178.6 | 177.3 | 1.7 | 112.6 | V14 L40 G46 | V14-R44 HydrophobicContact CG1-CG 4.31Å; L40-R44 WeakPolarHBondContact O-CB 3.47Å; L40-R44 WeakPolarHBondContact O-CG 3.24Å; L40-R44 PolarHBondContact O-N 3.43Å; R44-G46 PolarHBondContact O-N 3.41Å |
| 45 | G | 81 | Confident | 86.2 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -10.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F41 R42 L43 I47 K60 | F41-G45 PolarHBondContact O-N 3.48Å; R42-G45 PolarHBondContact O-N 2.63Å; L43-G45 PolarHBondContact O-N 2.95Å; G45-I47 VanDerWaalsContact C-N 3.27Å; G45-I47 PolarHBondContact O-N 3Å; G45-K60 PolarHBondContact O-NZ 2.94Å |
| 46 | G | 82.7 | Confident | 86 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 29.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | R42 L43 R44 | R42-G46 PolarHBondContact O-N 3.4Å; L43-G46 PolarHBondContact O-N 2.98Å; R44-G46 PolarHBondContact O-N 3.41Å |
| 47 | I | 87 | Confident | 86.1 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 11% | 0.113 | 36% | 0.36 | C | S | . | . | trans | -83.9 | 127.3 | -176.4 | -55.4 | 167.3 | 0 | 0 | 0 | 109.2 | F41 R42 G45 R62 | F41-I47 HydrophobicContact CE1-CD1 4.41Å; R42-I47 HydrophobicContact CG-CB 3.78Å; R42-I47 HydrophobicContact CG-CD1 4.43Å; R42-I47 HydrophobicContact CG-CG2 4.19Å; R42-I47 PolarHBondContact NH1-O 3.14Å; R42-I47 PolarHBondContact O-N 2.91Å; R42-I47 VanDerWaalsContact O-N 3.07Å; G45-I47 VanDerWaalsContact C-N 3.27Å; G45-I47 PolarHBondContact O-N 3Å; I47-R62 HydrophobicContact CD1-CB 3.73Å; I47-R62 HydrophobicContact CD1-CG 4.17Å; I47-R62 HydrophobicContact CG1-CB 3.96Å; I47-R62 HydrophobicContact CG2-CB 4.43Å | ||
| 48 | A | 82.1 | Confident | 86.3 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 21% | 0.207 | 36% | 0.359 | C | S | . | . | trans | -72.3 | 136.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F51 V59 K60 | A48-F51 HydrophobicContact CB-CE1 4.09Å; A48-V59 HydrophobicContact CB-CB 3.95Å; A48-V59 HydrophobicContact CB-CG1 4.03Å; A48-K60 PolarHBondContact N-O 3.48Å; A48-K60 VanDerWaalsContact N-O 3.11Å | ||
| 49 | D | 82.5 | Confident | 86.5 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -98 | -25.6 | 168 | 44.5 | 13.3 | 0 | 0 | 0 | 113 | R42 | R42-D49 IonicContact CZ-OD2 3.84Å; R42-D49 VanDerWaalsContact CZ-OD2 3.24Å; R42-D49 IonicContact NH1-OD1 3.83Å; R42-D49 IonicContact NH1-OD2 3.47Å; R42-D49 PolarHBondContact NH1-OD2 3.34Å; R42-D49 IonicContact NH2-OD2 2.81Å; R42-D49 PolarHBondContact NH2-OD2 2.88Å |
| 50 | S | 86.5 | Confident | 86.6 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 53% | 0.531 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -133.5 | 142.7 | -172 | 51.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 51 | F | 88.3 | Confident | 86.9 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 40% | 0.404 | 34% | 0.339 | S | S | . | . | trans | -116.4 | 122.3 | -177.6 | -54.1 | -63.4 | 0 | 0 | 0 | 109.5 | A48 L53 V59 V61 P142 | A48-F51 HydrophobicContact CB-CE1 4.09Å; F51-L53 HydrophobicContact CB-CD2 4.22Å; F51-L53 PolarHBondContact O-N 3.38Å; F51-V59 HydrophobicContact CD1-CB 4.4Å; F51-V59 HydrophobicContact CD1-CG1 4.15Å; F51-V59 HydrophobicContact CD1-CG2 3.95Å; F51-V59 HydrophobicContact CE1-CB 4.4Å; F51-V59 HydrophobicContact CE1-CG2 3.9Å; F51-V61 HydrophobicContact CE1-CG2 4.19Å; F51-V61 HydrophobicContact CZ-CG2 4.4Å; F51-P142 HydrophobicContact CB-CB 4.12Å; F51-P142 HydrophobicContact CB-CG 4.23Å; F51-P142 HydrophobicContact CD1-CB 3.98Å; F51-P142 HydrophobicContact CD1-CG 4.23Å; F51-P142 HydrophobicContact CG-CB 4.15Å | ||
| 52 | D | 87.5 | Confident | 87.4 | Confident | 78 Ų | 78 | 62.3 Ų | 62.3 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | trans | -91.6 | 97.5 | 169 | 178.9 | -2.7 | 0 | 0 | 0 | 108.7 | V54 S55 N56 | D52-V54 VanDerWaalsContact C-N 3.27Å; D52-V54 PolarHBondContact O-N 3.27Å; D52-V54 PolarHBondContact OD1-N 3.39Å; D52-S55 PolarHBondContact OD1-N 2.71Å; D52-S55 WeakPolarHBondContact OD2-CB 3.43Å; D52-S55 PolarHBondContact OD2-OG 3.22Å; D52-N56 PolarHBondContact O-N 3.28Å | ||
| 53 | L | 87.7 | Confident | 87.7 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 63% | 0.634 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -19.1 | -179.6 | -59.4 | -175.2 | 0 | 0 | 0 | 112.9 | F51 P142 | F51-L53 HydrophobicContact CB-CD2 4.22Å; F51-L53 PolarHBondContact O-N 3.38Å; L53-P142 HydrophobicContact CD2-CB 3.9Å; L53-P142 HydrophobicContact CD2-CG 4.22Å |
| 54 | V | 92.8 | Very high | 88.1 | Confident | 146 Ų | 146 | 65 Ų | 65 | 89% | 0.885 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -47.4 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | D52 N56 | D52-V54 VanDerWaalsContact C-N 3.27Å; D52-V54 PolarHBondContact O-N 3.27Å; D52-V54 PolarHBondContact OD1-N 3.39Å; V54-N56 VanDerWaalsContact C-N 3.28Å |
| 55 | S | 86.6 | Confident | 88.6 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -15.7 | 176.1 | 70.7 | 0 | 0 | 0 | 0 | 113.4 | D52 K57 | D52-S55 PolarHBondContact OD1-N 2.71Å; D52-S55 WeakPolarHBondContact OD2-CB 3.43Å; D52-S55 PolarHBondContact OD2-OG 3.22Å; S55-K57 PolarHBondContact O-N 2.98Å; S55-K57 VanDerWaalsContact OG-CD 3.27Å; S55-K57 WeakPolarHBondContact OG-CD 3.27Å; S55-K57 WeakPolarHBondContact OG-CE 3.39Å; S55-K57 VanDerWaalsContact OG-CG 3.29Å; S55-K57 WeakPolarHBondContact OG-CG 3.19Å |
| 56 | N | 86.3 | Confident | 89.3 | Confident | 79 Ų | 79 | 66.2 Ų | 66.2 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 34 | 179.9 | -162.4 | 33.8 | 0 | 0 | 0 | 112.7 | D52 V54 P142 | D52-N56 PolarHBondContact O-N 3.28Å; V54-N56 VanDerWaalsContact C-N 3.28Å; N56-P142 WeakPolarHBondContact OD1-CD 3.4Å |
| 57 | K | 88.5 | Confident | 89.8 | Confident | 131 Ų | 131 | 65.9 Ų | 65.9 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | trans | -64.6 | 139.1 | -175.3 | -78.2 | 168.5 | -174 | 165.3 | 0 | 109.7 | S55 V59 | S55-K57 PolarHBondContact O-N 2.98Å; S55-K57 VanDerWaalsContact OG-CD 3.27Å; S55-K57 WeakPolarHBondContact OG-CD 3.27Å; S55-K57 WeakPolarHBondContact OG-CE 3.39Å; S55-K57 VanDerWaalsContact OG-CG 3.29Å; S55-K57 WeakPolarHBondContact OG-CG 3.19Å; K57-V59 PolarHBondContact O-N 3.13Å | ||
| 58 | P | 90.3 | Very high | 90 | Very high | 67 Ų | 67 | 66.9 Ų | 66.9 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | trans | -55.9 | 129.9 | 173.7 | -25.9 | 34.2 | 0 | 0 | 0 | 111.3 | I3 G140 | I3-P58 HydrophobicContact CD1-CB 3.9Å; I3-P58 HydrophobicContact CD1-CG 4.18Å; I3-P58 HydrophobicContact CG1-CB 4.48Å; P58-G140 CarbonylContact C-O 3.57Å; P58-G140 WeakPolarHBondContact CA-O 3.05Å | ||
| 59 | V | 91 | Very high | 90.2 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 11% | 0.109 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 156 | 178.2 | -67.6 | 0 | 0 | 0 | 0 | 110 | A48 F51 K57 V61 L139 G140 P142 | A48-V59 HydrophobicContact CB-CB 3.95Å; A48-V59 HydrophobicContact CB-CG1 4.03Å; F51-V59 HydrophobicContact CD1-CB 4.4Å; F51-V59 HydrophobicContact CD1-CG1 4.15Å; F51-V59 HydrophobicContact CD1-CG2 3.95Å; F51-V59 HydrophobicContact CE1-CB 4.4Å; F51-V59 HydrophobicContact CE1-CG2 3.9Å; K57-V59 PolarHBondContact O-N 3.13Å; V59-V61 HydrophobicContact CG2-CG2 4.22Å; V59-L139 WeakPolarHBondContact O-CD1 3.21Å; V59-G140 PolarHBondContact N-O 3.19Å; V59-G140 PolarHBondContact O-N 3.49Å; V59-P142 HydrophobicContact CG1-CG 4.37Å; V59-P142 HydrophobicContact CG2-CB 4.22Å; V59-P142 HydrophobicContact CG2-CG 3.95Å |
| 60 | K | 91.8 | Very high | 90.5 | Very high | 46 Ų | 46 | 70.8 Ų | 70.8 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.5 | 170 | -175 | -178.5 | 172.6 | -171.2 | 0 | 108.9 | G45 A48 S138 L139 | G45-K60 PolarHBondContact O-NZ 2.94Å; A48-K60 PolarHBondContact N-O 3.48Å; A48-K60 VanDerWaalsContact N-O 3.11Å; K60-S138 WeakPolarHBondContact CA-O 3.47Å; K60-L139 HydrophobicContact CB-CD1 3.75Å; K60-L139 HydrophobicContact CG-CD1 4.34Å |
| 61 | V | 92.7 | Very high | 90.7 | Very high | 19 Ų | 19 | 72.9 Ų | 72.9 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137.3 | 173.8 | -165 | 0 | 0 | 0 | 0 | 108.1 | F51 V59 S138 L149 | F51-V61 HydrophobicContact CE1-CG2 4.19Å; F51-V61 HydrophobicContact CZ-CG2 4.4Å; V59-V61 HydrophobicContact CG2-CG2 4.22Å; V61-S138 PolarHBondContact N-O 3.22Å; V61-S138 PolarHBondContact O-N 3.28Å; V61-L149 HydrophobicContact CB-CD2 4.17Å; V61-L149 HydrophobicContact CG1-CD2 3.47Å; V61-L149 VanDerWaalsContact CG1-CD2 3.47Å |
| 62 | R | 93.4 | Very high | 90.8 | Very high | 46 Ų | 46 | 74.9 Ų | 74.9 | 17% | 0.174 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.9 | -179 | 176.1 | 178.4 | -64 | -178 | -13.9 | 110 | F41 I47 Q135 V136 D137 | F41-R62 VanDerWaalsContact CZ-NH1 3.31Å; I47-R62 HydrophobicContact CD1-CB 3.73Å; I47-R62 HydrophobicContact CD1-CG 4.17Å; I47-R62 HydrophobicContact CG1-CB 3.96Å; I47-R62 HydrophobicContact CG2-CB 4.43Å; R62-Q135 HydrophobicContact CG-CG 3.81Å; R62-Q135 VanDerWaalsContact CZ-NE2 3.26Å; R62-V136 CarbonylContact C-O 3.43Å; R62-V136 VanDerWaalsContact CA-O 3.27Å; R62-V136 WeakPolarHBondContact CA-O 3.38Å; R62-D137 VanDerWaalsContact CB-OD1 3.24Å; R62-D137 WeakPolarHBondContact CB-OD1 3.42Å; R62-D137 WeakPolarHBondContact CD-OD1 3.35Å; R62-D137 WeakPolarHBondContact CG-OD1 3.35Å; R62-D137 IonicContact CZ-OD1 3.98Å; R62-D137 IonicContact CZ-OD2 2.83Å; R62-D137 IonicContact NE-OD1 2.65Å; R62-D137 PolarHBondContact NE-OD1 3.39Å; R62-D137 IonicContact NE-OD2 3.33Å; R62-D137 IonicContact NH2-OD1 3.06Å; R62-D137 PolarHBondContact NH2-OD1 3.42Å; R62-D137 IonicContact NH2-OD2 3.69Å; R62-D137 PolarHBondContact NH2-OD2 3.27Å; R62-D137 VanDerWaalsContact NH2-OD2 3.08Å |
| 63 | A | 93.9 | Very high | 90.9 | Very high | 20 Ų | 20 | 76.2 Ų | 76.2 | 17% | 0.165 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q135 V136 L149 L153 | A63-Q135 WeakPolarHBondContact O-CA 3.1Å; A63-V136 PolarHBondContact N-O 3.05Å; A63-V136 PolarHBondContact O-N 2.99Å; A63-L149 HydrophobicContact CB-CD1 3.82Å; A63-L149 HydrophobicContact CB-CD2 4.3Å; A63-L149 HydrophobicContact CB-CG 4.4Å; A63-L153 HydrophobicContact CB-CD2 4.18Å |
| 64 | K | 93.6 | Very high | 90.9 | Very high | 87 Ų | 87 | 75.1 Ų | 75.1 | 38% | 0.378 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 120 | 171.4 | 173.9 | 167.4 | 172.1 | 170.3 | 0 | 108.2 | H133 | K64-H133 HydrophobicContact CD-CB 4.34Å; K64-H133 WeakPolarHBondContact CE-ND1 3.24Å; K64-H133 HydrophobicContact CG-CB 3.86Å |
| 65 | I | 95.3 | Very high | 90.8 | Very high | 35 Ų | 35 | 71 Ų | 71 | 18% | 0.179 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 112 | 179.5 | -52.1 | 170.6 | 0 | 0 | 0 | 107.4 | H133 L134 V136 L153 V156 M160 | I65-H133 CarbonylContact O-C 3.57Å; I65-H133 WeakPolarHBondContact O-CA 3.49Å; I65-H133 VanDerWaalsContact O-CB 3.24Å; I65-H133 WeakPolarHBondContact O-CB 3.18Å; I65-L134 HydrophobicContact CB-CB 4.31Å; I65-L134 HydrophobicContact CD1-CD2 4.26Å; I65-L134 PolarHBondContact N-O 3.26Å; I65-L134 PolarHBondContact O-N 3.24Å; I65-V136 HydrophobicContact CD1-CG2 4.02Å; I65-L153 HydrophobicContact CD1-CD2 3.46Å; I65-L153 VanDerWaalsContact CD1-CD2 3.46Å; I65-L153 HydrophobicContact CG1-CD2 3.88Å; I65-V156 HydrophobicContact CD1-CB 4.41Å; I65-V156 HydrophobicContact CD1-CG1 3.86Å; I65-M160 HydrophobicContact CG2-CE 4.47Å; I65-M160 HydrophobicContact CG2-SD 4.09Å |
| 66 | E | 94.5 | Very high | 90.9 | Very high | 129 Ų | 129 | 74.8 Ų | 74.8 | 60% | 0.603 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.5 | 176.4 | -59.2 | -167.4 | 155.7 | 0 | 0 | 110.6 | ||
| 67 | I | 94.2 | Very high | 91.3 | Very high | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.046 | 37% | 0.371 | C | S | . | . | trans | -96.6 | 115.2 | 177.9 | -61 | -176.3 | 0 | 0 | 0 | 108 | Q69 F77 L81 L132 L134 M160 | I67-Q69 PolarHBondContact O-N 3.18Å; I67-F77 HydrophobicContact CG2-CB 3.46Å; I67-F77 VanDerWaalsContact CG2-CB 3.46Å; I67-F77 HydrophobicContact CG2-CD2 3.69Å; I67-F77 HydrophobicContact CG2-CG 3.68Å; I67-L81 HydrophobicContact CD1-CD1 3.87Å; I67-L132 HydrophobicContact CB-CB 4.44Å; I67-L132 HydrophobicContact CB-CD2 3.96Å; I67-L132 HydrophobicContact CB-CG 4Å; I67-L132 HydrophobicContact CD1-CD2 4.28Å; I67-L132 HydrophobicContact CD1-CG 4.12Å; I67-L132 HydrophobicContact CG1-CG 4.44Å; I67-L132 HydrophobicContact CG2-CD2 3.84Å; I67-L132 HydrophobicContact CG2-CG 4.43Å; I67-L132 PolarHBondContact N-O 3.19Å; I67-L134 HydrophobicContact CD1-CB 4.48Å; I67-M160 HydrophobicContact CB-CE 4.37Å; I67-M160 HydrophobicContact CG1-CE 3.81Å; I67-M160 HydrophobicContact CG2-CE 4.37Å | ||
| 68 | P | 90.5 | Very high | 91.5 | Very high | 42 Ų | 42 | 67.1 Ų | 67.1 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | trans | -80.3 | 61.5 | -172.1 | 34.1 | -37.4 | 0 | 0 | 0 | 112.4 | E70 Q71 Y72 F77 | P68-E70 VanDerWaalsContact C-N 3.28Å; P68-E70 PolarHBondContact O-N 3.46Å; P68-Q71 HydrophobicContact CB-CB 4.34Å; P68-Q71 PolarHBondContact O-N 3.36Å; P68-Y72 HydrophobicContact CB-CD2 4.21Å; P68-Y72 HydrophobicContact CG-CD2 4.08Å; P68-Y72 HydrophobicContact CG-CE2 4.46Å; P68-Y72 PolarHBondContact O-N 3.48Å; P68-F77 HydrophobicContact CG-CE2 4.28Å; P68-F77 HydrophobicContact CG-CZ 4.04Å | ||
| 69 | Q | 87.1 | Confident | 91.6 | Very high | 78 Ų | 78 | 66 Ų | 66 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -26 | 179.1 | 68.7 | 179.8 | -1 | 0 | 0 | 113 | I67 Y72 P73 L132 | I67-Q69 PolarHBondContact O-N 3.18Å; Q69-Y72 CarbonylContact O-C 3.47Å; Q69-P73 WeakPolarHBondContact O-CA 3.42Å; Q69-P73 VanDerWaalsContact O-N 3.12Å; Q69-L132 HydrophobicContact CB-CD2 4.5Å; Q69-L132 HydrophobicContact CG-CD2 4.49Å |
| 70 | E | 88.7 | Confident | 91.7 | Very high | 120 Ų | 120 | 70 Ų | 70 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -40.2 | 177 | -69.3 | 168.4 | -169.8 | 0 | 0 | 111.2 | P68 K131 | P68-E70 VanDerWaalsContact C-N 3.28Å; P68-E70 PolarHBondContact O-N 3.46Å; E70-K131 VanDerWaalsContact CD-NZ 3.31Å; E70-K131 WeakPolarHBondContact OE1-CE 3.37Å; E70-K131 IonicContact OE1-NZ 3.39Å; E70-K131 PolarHBondContact OE1-NZ 2.92Å; E70-K131 IonicContact OE2-NZ 3.48Å; E70-K131 PolarHBondContact OE2-NZ 3.29Å |
| 71 | Q | 90.4 | Very high | 91.8 | Very high | 120 Ų | 120 | 67.9 Ų | 67.9 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -31.4 | 179.7 | -62.5 | 78.5 | 9.4 | 0 | 0 | 111.9 | P68 P73 | P68-Q71 HydrophobicContact CB-CB 4.34Å; P68-Q71 PolarHBondContact O-N 3.36Å; Q71-P73 VanDerWaalsContact C-CD 3.48Å |
| 72 | Y | 90.3 | Very high | 91.9 | Very high | 134 Ų | 134 | 69.9 Ų | 69.9 | 53% | 0.525 | 37% | 0.372 | S | S | . | . | trans | -128.9 | 65.8 | -179.9 | -55.8 | -83.5 | 0 | 0 | 0 | 111.7 | P68 Q69 A74 I75 F77 | P68-Y72 HydrophobicContact CB-CD2 4.21Å; P68-Y72 HydrophobicContact CG-CD2 4.08Å; P68-Y72 HydrophobicContact CG-CE2 4.46Å; P68-Y72 PolarHBondContact O-N 3.48Å; Q69-Y72 CarbonylContact O-C 3.47Å; Y72-A74 PolarHBondContact O-N 2.86Å; Y72-I75 HydrophobicContact CD1-CD1 4.18Å; Y72-I75 HydrophobicContact CG-CD1 4.26Å; Y72-I75 PolarHBondContact O-N 2.66Å; Y72-F77 HydrophobicContact CD2-CZ 4.16Å; Y72-F77 HydrophobicContact CG-CZ 4.27Å | ||
| 73 | P | 88.9 | Confident | 91.9 | Very high | 106 Ų | 106 | 68.8 Ų | 68.8 | 69% | 0.688 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.1 | -175.8 | 27.1 | -35.6 | 0 | 0 | 0 | 113.4 | Q69 Q71 I75 | Q69-P73 WeakPolarHBondContact O-CA 3.42Å; Q69-P73 VanDerWaalsContact O-N 3.12Å; Q71-P73 VanDerWaalsContact C-CD 3.48Å; P73-I75 VanDerWaalsContact C-N 3.28Å; P73-I75 PolarHBondContact O-N 3.08Å |
| 74 | A | 88.5 | Confident | 92 | Very high | 97 Ų | 97 | 73.1 Ų | 73.1 | 80% | 0.802 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -11 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y72 | Y72-A74 PolarHBondContact O-N 2.86Š|
| 75 | I | 89.8 | Confident | 92 | Very high | 60 Ų | 60 | 72.3 Ų | 72.3 | 31% | 0.308 | 42% | 0.418 | S | S | . | . | trans | -104.3 | 119.2 | -175.4 | -57.4 | -178.1 | 0 | 0 | 0 | 110.5 | Y72 P73 F77 K80 | Y72-I75 HydrophobicContact CD1-CD1 4.18Å; Y72-I75 HydrophobicContact CG-CD1 4.26Å; Y72-I75 PolarHBondContact O-N 2.66Å; P73-I75 VanDerWaalsContact C-N 3.28Å; P73-I75 PolarHBondContact O-N 3.08Å; I75-F77 VanDerWaalsContact C-N 3.34Å; I75-F77 HydrophobicContact CB-CD2 4.29Å; I75-F77 HydrophobicContact CB-CE2 3.86Å; I75-F77 HydrophobicContact CB-CZ 3.99Å; I75-F77 HydrophobicContact CD1-CZ 4.29Å; I75-F77 HydrophobicContact CG2-CD1 4.02Å; I75-F77 HydrophobicContact CG2-CD2 4.12Å; I75-F77 HydrophobicContact CG2-CE1 3.86Å; I75-F77 HydrophobicContact CG2-CE2 3.97Å; I75-F77 HydrophobicContact CG2-CG 4.15Å; I75-F77 HydrophobicContact CG2-CZ 3.84Å; I75-F77 WeakPolarHBondContact O-CD2 3.47Å; I75-F77 PolarHBondContact O-N 2.9Å; I75-K80 HydrophobicContact CG2-CD 4.35Å | ||
| 76 | N | 90.2 | Very high | 91.9 | Very high | 128 Ų | 128 | 71.4 Ų | 71.4 | 68% | 0.684 | 42% | 0.417 | S | S | * | . | trans | -80.3 | 76.4 | 173.5 | -66.2 | -33.8 | 0 | 0 | 0 | 111.6 | V78 G79 K80 | N76-V78 PolarHBondContact O-N 3.19Å; N76-G79 PolarHBondContact O-N 3.06Å; N76-K80 PolarHBondContact O-N 2.93Å | ||
| 77 | F | 92.9 | Very high | 91.9 | Very high | 12 Ų | 12 | 70.7 Ų | 70.7 | 5% | 0.053 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 179.3 | -66.5 | -79.7 | 0 | 0 | 0 | 113 | I67 P68 Y72 I75 G79 K80 L81 M160 | I67-F77 HydrophobicContact CG2-CB 3.46Å; I67-F77 VanDerWaalsContact CG2-CB 3.46Å; I67-F77 HydrophobicContact CG2-CD2 3.69Å; I67-F77 HydrophobicContact CG2-CG 3.68Å; P68-F77 HydrophobicContact CG-CE2 4.28Å; P68-F77 HydrophobicContact CG-CZ 4.04Å; Y72-F77 HydrophobicContact CD2-CZ 4.16Å; Y72-F77 HydrophobicContact CG-CZ 4.27Å; I75-F77 VanDerWaalsContact C-N 3.34Å; I75-F77 HydrophobicContact CB-CD2 4.29Å; I75-F77 HydrophobicContact CB-CE2 3.86Å; I75-F77 HydrophobicContact CB-CZ 3.99Å; I75-F77 HydrophobicContact CD1-CZ 4.29Å; I75-F77 HydrophobicContact CG2-CD1 4.02Å; I75-F77 HydrophobicContact CG2-CD2 4.12Å; I75-F77 HydrophobicContact CG2-CE1 3.86Å; I75-F77 HydrophobicContact CG2-CE2 3.97Å; I75-F77 HydrophobicContact CG2-CG 4.15Å; I75-F77 HydrophobicContact CG2-CZ 3.84Å; I75-F77 WeakPolarHBondContact O-CD2 3.47Å; I75-F77 PolarHBondContact O-N 2.9Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.45Å; F77-K80 PolarHBondContact O-N 2.81Å; F77-K80 VanDerWaalsContact O-N 3.15Å; F77-L81 WeakPolarHBondContact O-CB 3.48Å; F77-L81 WeakPolarHBondContact O-CG 3.38Å; F77-L81 PolarHBondContact O-N 3.38Å; F77-M160 HydrophobicContact CD1-CE 4.38Å |
| 78 | V | 93.1 | Very high | 92 | Very high | 37 Ų | 37 | 72.6 Ų | 72.6 | 22% | 0.224 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | N76 L81 L82 I102 L132 | N76-V78 PolarHBondContact O-N 3.19Å; V78-L81 PolarHBondContact O-N 2.82Å; V78-L82 HydrophobicContact CG1-CD1 3.73Å; V78-L82 HydrophobicContact CG1-CG 4.46Å; V78-L82 WeakPolarHBondContact O-CB 3.41Å; V78-L82 WeakPolarHBondContact O-CG 3.27Å; V78-L82 PolarHBondContact O-N 2.84Å; V78-I102 HydrophobicContact CB-CD1 4.46Å; V78-I102 HydrophobicContact CG1-CD1 3.89Å; V78-I102 HydrophobicContact CG1-CG2 4.49Å; V78-I102 HydrophobicContact CG2-CG2 4.07Å; V78-L132 HydrophobicContact CG2-CD1 4.36Å; V78-L132 HydrophobicContact CG2-CD2 3.9Å |
| 79 | G | 92.9 | Very high | 92.3 | Very high | 44 Ų | 44 | 71.3 Ų | 71.3 | 45% | 0.454 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N76 F77 G83 | N76-G79 PolarHBondContact O-N 3.06Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.45Å; G79-G83 PolarHBondContact O-N 3.45Å |
| 80 | K | 92.9 | Very high | 92.7 | Very high | 101 Ų | 101 | 74.8 Ų | 74.8 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 176.2 | -72.8 | -173.1 | 174.6 | -168 | 0 | 112.7 | I75 N76 F77 I159 | I75-K80 HydrophobicContact CG2-CD 4.35Å; N76-K80 PolarHBondContact O-N 2.93Å; F77-K80 PolarHBondContact O-N 2.81Å; F77-K80 VanDerWaalsContact O-N 3.15Å; K80-I159 HydrophobicContact CB-CG2 4.46Å |
| 81 | L | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 179.3 | -74.1 | 168.9 | 0 | 0 | 0 | 111.7 | I67 F77 V78 L89 I102 L134 V156 I159 M160 | I67-L81 HydrophobicContact CD1-CD1 3.87Å; F77-L81 WeakPolarHBondContact O-CB 3.48Å; F77-L81 WeakPolarHBondContact O-CG 3.38Å; F77-L81 PolarHBondContact O-N 3.38Å; V78-L81 PolarHBondContact O-N 2.82Å; L81-L89 WeakPolarHBondContact O-CB 3.4Å; L81-L89 PolarHBondContact O-N 2.99Å; L81-L89 VanDerWaalsContact O-N 3.17Å; L81-I102 HydrophobicContact CB-CD1 4.35Å; L81-L134 HydrophobicContact CD1-CD2 4.46Å; L81-L134 HydrophobicContact CD2-CD2 4.41Å; L81-V156 HydrophobicContact CD2-CG1 4.11Å; L81-I159 HydrophobicContact CD2-CB 4.35Å; L81-I159 HydrophobicContact CD2-CG2 4Å; L81-M160 HydrophobicContact CD1-CE 4.47Å; L81-M160 HydrophobicContact CD2-CG 3.99Å |
| 82 | L | 94.5 | Very high | 93.4 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 32% | 0.319 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73.6 | -44 | 180 | -70.8 | 171.7 | 0 | 0 | 0 | 112.3 | V78 G86 Q87 T88 L89 I102 | V78-L82 HydrophobicContact CG1-CD1 3.73Å; V78-L82 HydrophobicContact CG1-CG 4.46Å; V78-L82 WeakPolarHBondContact O-CB 3.41Å; V78-L82 WeakPolarHBondContact O-CG 3.27Å; V78-L82 PolarHBondContact O-N 2.84Å; L82-G86 CarbonylContact O-C 3.48Å; L82-G86 WeakPolarHBondContact O-CA 3.49Å; L82-Q87 PolarHBondContact O-N 2.77Å; L82-T88 WeakPolarHBondContact O-CB 3.4Å; L82-T88 PolarHBondContact O-N 3.38Å; L82-T88 VanDerWaalsContact O-N 3.1Å; L82-L89 HydrophobicContact CD2-CB 4.24Å; L82-L89 HydrophobicContact CD2-CD2 3.81Å; L82-I102 HydrophobicContact CD1-CD1 4.25Å; L82-I102 HydrophobicContact CD2-CD1 4.07Å; L82-I102 HydrophobicContact CG-CD1 3.86Å |
| 83 | G | 93.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 62 Ų | 62 | 24% | 0.237 | 38% | 0.381 | C | S | . | . | trans | 62.3 | -173.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G79 G85 G86 | G79-G83 PolarHBondContact O-N 3.45Å; G83-G85 PolarHBondContact O-N 3Å; G83-G86 PolarHBondContact O-N 2.78Å | ||
| 84 | P | 95.2 | Very high | 94.1 | Very high | 111 Ų | 111 | 64.5 Ų | 64.5 | 72% | 0.721 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -61.3 | 124.3 | -179.4 | 25.5 | -33.2 | 0 | 0 | 0 | 110.8 | G86 Q87 | P84-G86 PolarHBondContact O-N 3.34Å; P84-G86 VanDerWaalsContact O-N 3.11Å; P84-Q87 WeakPolarHBondContact O-CB 3.4Å; P84-Q87 WeakPolarHBondContact O-CG 3.2Å; P84-Q87 PolarHBondContact O-N 2.76Å; P84-Q87 VanDerWaalsContact O-N 3.11Å |
| 85 | G | 93.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 73% | 0.732 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | 63.3 | 13.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G83 Q87 | G83-G85 PolarHBondContact O-N 3Å; G85-Q87 VanDerWaalsContact C-N 3.27Å |
| 86 | G | 93.7 | Very high | 94.8 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | 76.9 | 11.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | L82 G83 P84 T88 L89 R90 | L82-G86 CarbonylContact O-C 3.48Å; L82-G86 WeakPolarHBondContact O-CA 3.49Å; G83-G86 PolarHBondContact O-N 2.78Å; P84-G86 PolarHBondContact O-N 3.34Å; P84-G86 VanDerWaalsContact O-N 3.11Å; G86-T88 PolarHBondContact O-N 3.44Å; G86-L89 PolarHBondContact O-N 3.37Å; G86-R90 VanDerWaalsContact O-CG 3.31Å; G86-R90 WeakPolarHBondContact O-CG 3.45Å; G86-R90 PolarHBondContact O-N 3.46Å; G86-R90 VanDerWaalsContact O-N 3.11Å |
| 87 | Q | 95.8 | Very high | 95.1 | Very high | 114 Ų | 114 | 59.9 Ų | 59.9 | 53% | 0.533 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.5 | -33.6 | -173.7 | -66.2 | -66 | 19.9 | 0 | 0 | 113.2 | L82 P84 G85 R90 A91 | L82-Q87 PolarHBondContact O-N 2.77Å; P84-Q87 WeakPolarHBondContact O-CB 3.4Å; P84-Q87 WeakPolarHBondContact O-CG 3.2Å; P84-Q87 PolarHBondContact O-N 2.76Å; P84-Q87 VanDerWaalsContact O-N 3.11Å; G85-Q87 VanDerWaalsContact C-N 3.27Å; Q87-R90 PolarHBondContact O-N 2.74Å; Q87-A91 VanDerWaalsContact O-CB 3.29Å; Q87-A91 WeakPolarHBondContact O-CB 3.49Å; Q87-A91 PolarHBondContact O-N 2.97Å |
| 88 | T | 95.9 | Very high | 95.3 | Very high | 49 Ų | 49 | 59.9 Ų | 59.9 | 30% | 0.301 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -49.7 | 177.5 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | L82 G86 R90 A91 V92 I159 | L82-T88 WeakPolarHBondContact O-CB 3.4Å; L82-T88 PolarHBondContact O-N 3.38Å; L82-T88 VanDerWaalsContact O-N 3.1Å; G86-T88 PolarHBondContact O-N 3.44Å; T88-R90 VanDerWaalsContact C-N 3.31Å; T88-R90 PolarHBondContact O-N 2.95Å; T88-A91 PolarHBondContact O-N 3.12Å; T88-V92 WeakPolarHBondContact O-CG2 3.25Å; T88-V92 PolarHBondContact O-N 3.37Å; T88-I159 HydrophobicContact CG2-CD1 3.98Å |
| 89 | L | 96.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.1 | -34 | 178.6 | -167.4 | 72.3 | 0 | 0 | 0 | 112.2 | L81 L82 G86 Q93 M100 L134 | L81-L89 WeakPolarHBondContact O-CB 3.4Å; L81-L89 PolarHBondContact O-N 2.99Å; L81-L89 VanDerWaalsContact O-N 3.17Å; L82-L89 HydrophobicContact CD2-CB 4.24Å; L82-L89 HydrophobicContact CD2-CD2 3.81Å; G86-L89 PolarHBondContact O-N 3.37Å; L89-Q93 WeakPolarHBondContact O-CB 3.3Å; L89-Q93 VanDerWaalsContact O-CG 3.28Å; L89-Q93 WeakPolarHBondContact O-CG 3.5Å; L89-Q93 PolarHBondContact O-N 3.21Å; L89-Q93 PolarHBondContact O-NE2 3.33Å; L89-Q93 VanDerWaalsContact O-NE2 3.12Å; L89-M100 HydrophobicContact CD1-CB 4.01Å; L89-M100 HydrophobicContact CD1-SD 3.86Å; L89-M100 HydrophobicContact CD2-CB 4.43Å; L89-M100 HydrophobicContact CG-CB 4.29Å; L89-L134 HydrophobicContact CD1-CD1 4.22Å |
| 90 | R | 96.2 | Very high | 95.6 | Very high | 152 Ų | 152 | 63.1 Ų | 63.1 | 57% | 0.574 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.3 | -44.8 | 176.2 | -74.1 | 175.1 | -178.7 | -174.6 | 1.1 | 111.8 | G86 Q87 T88 V92 Q93 E94 | G86-R90 VanDerWaalsContact O-CG 3.31Å; G86-R90 WeakPolarHBondContact O-CG 3.45Å; G86-R90 PolarHBondContact O-N 3.46Å; G86-R90 VanDerWaalsContact O-N 3.11Å; Q87-R90 PolarHBondContact O-N 2.74Å; T88-R90 VanDerWaalsContact C-N 3.31Å; T88-R90 PolarHBondContact O-N 2.95Å; R90-V92 VanDerWaalsContact C-N 3.32Å; R90-V92 PolarHBondContact O-N 2.91Å; R90-Q93 WeakPolarHBondContact O-CB 3.44Å; R90-Q93 PolarHBondContact O-N 3.28Å; R90-E94 WeakPolarHBondContact O-CB 3.3Å; R90-E94 PolarHBondContact O-N 3.3Å |
| 91 | A | 96.9 | Very high | 95.7 | Very high | 49 Ų | 49 | 59.9 Ų | 59.9 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q87 T88 Q93 E94 T95 | Q87-A91 VanDerWaalsContact O-CB 3.29Å; Q87-A91 WeakPolarHBondContact O-CB 3.49Å; Q87-A91 PolarHBondContact O-N 2.97Å; T88-A91 PolarHBondContact O-N 3.12Å; A91-Q93 PolarHBondContact O-N 2.95Å; A91-E94 PolarHBondContact O-N 3.43Å; A91-T95 WeakPolarHBondContact O-CB 3.2Å; A91-T95 PolarHBondContact O-N 3.21Å; A91-T95 PolarHBondContact O-OG1 3.07Å |
| 92 | V | 96.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | T88 R90 E94 T96 M100 E155 V156 I159 | T88-V92 WeakPolarHBondContact O-CG2 3.25Å; T88-V92 PolarHBondContact O-N 3.37Å; R90-V92 VanDerWaalsContact C-N 3.32Å; R90-V92 PolarHBondContact O-N 2.91Å; V92-E94 PolarHBondContact O-N 3.37Å; V92-T96 HydrophobicContact CG1-CG2 4.03Å; V92-T96 VanDerWaalsContact O-CB 3.27Å; V92-T96 WeakPolarHBondContact O-CB 3.29Å; V92-T96 WeakPolarHBondContact O-CG2 3.46Å; V92-T96 PolarHBondContact O-N 3.44Å; V92-T96 PolarHBondContact O-OG1 3.27Å; V92-M100 HydrophobicContact CG1-CE 3.52Å; V92-M100 HydrophobicContact CG1-SD 4.05Å; V92-E155 HydrophobicContact CG1-CB 3.94Å; V92-V156 HydrophobicContact CG1-CG2 4.48Å; V92-I159 HydrophobicContact CG2-CD1 3.68Å |
| 93 | Q | 96.9 | Very high | 95.7 | Very high | 43 Ų | 43 | 59.6 Ų | 59.6 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 176.5 | -79.4 | 176.2 | 98.3 | 0 | 0 | 112.7 | L89 R90 A91 K97 T98 M100 | L89-Q93 WeakPolarHBondContact O-CB 3.3Å; L89-Q93 VanDerWaalsContact O-CG 3.28Å; L89-Q93 WeakPolarHBondContact O-CG 3.5Å; L89-Q93 PolarHBondContact O-N 3.21Å; L89-Q93 PolarHBondContact O-NE2 3.33Å; L89-Q93 VanDerWaalsContact O-NE2 3.12Å; R90-Q93 WeakPolarHBondContact O-CB 3.44Å; R90-Q93 PolarHBondContact O-N 3.28Å; A91-Q93 PolarHBondContact O-N 2.95Å; Q93-K97 VanDerWaalsContact O-CA 3.29Å; Q93-K97 WeakPolarHBondContact O-CA 3.48Å; Q93-K97 PolarHBondContact O-N 2.73Å; Q93-T98 WeakPolarHBondContact CA-O 3.35Å; Q93-T98 VanDerWaalsContact CB-O 3.24Å; Q93-T98 WeakPolarHBondContact CB-O 3.39Å; Q93-T98 VanDerWaalsContact CG-O 3.31Å; Q93-T98 WeakPolarHBondContact CG-O 3.5Å; Q93-T98 PolarHBondContact O-N 3.16Å; Q93-T98 VanDerWaalsContact O-N 3.1Å; Q93-M100 HydrophobicContact CG-CB 3.72Å; Q93-M100 HydrophobicContact CG-CG 3.67Å; Q93-M100 HydrophobicContact CG-SD 4.2Å; Q93-M100 PolarHBondContact OE1-O 3.46Å |
| 94 | E | 97.1 | Very high | 95.7 | Very high | 159 Ų | 159 | 58.5 Ų | 58.5 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.4 | -51.2 | 178.8 | -173 | 172 | -172.2 | 0 | 0 | 111.3 | R90 A91 V92 T96 K97 | R90-E94 WeakPolarHBondContact O-CB 3.3Å; R90-E94 PolarHBondContact O-N 3.3Å; A91-E94 PolarHBondContact O-N 3.43Å; V92-E94 PolarHBondContact O-N 3.37Å; E94-T96 VanDerWaalsContact C-N 3.34Å; E94-T96 PolarHBondContact O-N 3.39Å; E94-K97 PolarHBondContact O-N 3.2Å |
| 95 | T | 96.4 | Very high | 95.5 | Very high | 94 Ų | 94 | 55 Ų | 55 | 58% | 0.577 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 179.5 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | A91 | A91-T95 WeakPolarHBondContact O-CB 3.2Å; A91-T95 PolarHBondContact O-N 3.21Å; A91-T95 PolarHBondContact O-OG1 3.07Å |
| 96 | T | 96.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -89.3 | -8.3 | -176.9 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | V92 E94 T98 R148 A152 E155 | V92-T96 HydrophobicContact CG1-CG2 4.03Å; V92-T96 VanDerWaalsContact O-CB 3.27Å; V92-T96 WeakPolarHBondContact O-CB 3.29Å; V92-T96 WeakPolarHBondContact O-CG2 3.46Å; V92-T96 PolarHBondContact O-N 3.44Å; V92-T96 PolarHBondContact O-OG1 3.27Å; E94-T96 VanDerWaalsContact C-N 3.34Å; E94-T96 PolarHBondContact O-N 3.39Å; T96-T98 PolarHBondContact O-N 3.49Å; T96-T98 PolarHBondContact OG1-OG1 2.91Å; T96-R148 WeakPolarHBondContact O-CB 3.29Å; T96-R148 WeakPolarHBondContact O-CG 3.35Å; T96-A152 HydrophobicContact CG2-CB 3.98Å; T96-E155 HydrophobicContact CG2-CB 4.49Å; T96-E155 HydrophobicContact CG2-CG 4.19Å |
| 97 | K | 96.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 53.6 Ų | 53.6 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 42.2 | -173.5 | -56.8 | 177.6 | -174.1 | 174.7 | 0 | 111.8 | Q93 E94 R148 G278 | Q93-K97 VanDerWaalsContact O-CA 3.29Å; Q93-K97 WeakPolarHBondContact O-CA 3.48Å; Q93-K97 PolarHBondContact O-N 2.73Å; E94-K97 PolarHBondContact O-N 3.2Å; K97-R148 HydrophobicContact CB-CG 4.43Å; K97-G278 VanDerWaalsContact NZ-C 3.32Å; K97-G278 PolarHBondContact NZ-O 2.94Å |
| 98 | T | 96.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | trans | -122 | 161 | 177.2 | 64.8 | 0 | 0 | 0 | 0 | 111.1 | Q93 T96 M100 V136 R148 A152 | Q93-T98 WeakPolarHBondContact CA-O 3.35Å; Q93-T98 VanDerWaalsContact CB-O 3.24Å; Q93-T98 WeakPolarHBondContact CB-O 3.39Å; Q93-T98 VanDerWaalsContact CG-O 3.31Å; Q93-T98 WeakPolarHBondContact CG-O 3.5Å; Q93-T98 PolarHBondContact O-N 3.16Å; Q93-T98 VanDerWaalsContact O-N 3.1Å; T96-T98 PolarHBondContact O-N 3.49Å; T96-T98 PolarHBondContact OG1-OG1 2.91Å; T98-M100 WeakPolarHBondContact OG1-CE 3.48Å; T98-V136 HydrophobicContact CG2-CG1 4.23Å; T98-R148 HydrophobicContact CG2-CB 4Å; T98-A152 HydrophobicContact CG2-CB 3.85Å | ||
| 99 | K | 95.9 | Very high | 94.5 | Very high | 139 Ų | 139 | 60.5 Ų | 60.5 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127.5 | 171.9 | -178.2 | 175.9 | -177.3 | 175.8 | 0 | 109.2 | D137 | K99-D137 HydrophobicContact CB-CB 4.28Å; K99-D137 PolarHBondContact N-O 2.64Å; K99-D137 PolarHBondContact O-N 3.28Å |
| 100 | M | 96.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.9 | -178.9 | -60.9 | -174.1 | -172.8 | 0 | 0 | 111 | L89 V92 Q93 T98 L134 Q135 V136 A152 V156 | L89-M100 HydrophobicContact CD1-CB 4.01Å; L89-M100 HydrophobicContact CD1-SD 3.86Å; L89-M100 HydrophobicContact CD2-CB 4.43Å; L89-M100 HydrophobicContact CG-CB 4.29Å; V92-M100 HydrophobicContact CG1-CE 3.52Å; V92-M100 HydrophobicContact CG1-SD 4.05Å; Q93-M100 HydrophobicContact CG-CB 3.72Å; Q93-M100 HydrophobicContact CG-CG 3.67Å; Q93-M100 HydrophobicContact CG-SD 4.2Å; Q93-M100 PolarHBondContact OE1-O 3.46Å; T98-M100 WeakPolarHBondContact OG1-CE 3.48Å; M100-L134 HydrophobicContact CB-CD1 4.26Å; M100-L134 HydrophobicContact SD-CD2 4.38Å; M100-Q135 CarbonylContact C-O 3.54Å; M100-Q135 VanDerWaalsContact CA-O 3.25Å; M100-Q135 WeakPolarHBondContact CA-O 3.46Å; M100-V136 HydrophobicContact CE-CG1 4.09Å; M100-V136 HydrophobicContact CE-CG2 4.4Å; M100-V136 HydrophobicContact CG-CG1 4.21Å; M100-V136 HydrophobicContact CG-CG2 4.15Å; M100-V136 HydrophobicContact SD-CG2 4.44Å; M100-A152 HydrophobicContact CE-CB 3.52Å; M100-V156 HydrophobicContact CE-CG2 4.01Å; M100-V156 HydrophobicContact SD-CG2 3.96Å |
| 101 | A | 94.8 | Very high | 93.9 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 133.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L103 Q135 | A101-L103 HydrophobicContact CB-CD1 4.47Å; A101-L103 HydrophobicContact CB-CD2 4.32Å; A101-L103 HydrophobicContact CB-CG 4.17Å; A101-Q135 PolarHBondContact N-O 3.04Å; A101-Q135 PolarHBondContact O-N 3.27Å |
| 102 | I | 95.6 | Very high | 93.6 | Very high | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.138 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.2 | 171.7 | -59.4 | 175.5 | 0 | 0 | 0 | 107.3 | V78 L81 L82 L132 L134 | V78-I102 HydrophobicContact CB-CD1 4.46Å; V78-I102 HydrophobicContact CG1-CD1 3.89Å; V78-I102 HydrophobicContact CG1-CG2 4.49Å; V78-I102 HydrophobicContact CG2-CG2 4.07Å; L81-I102 HydrophobicContact CB-CD1 4.35Å; L82-I102 HydrophobicContact CD1-CD1 4.25Å; L82-I102 HydrophobicContact CD2-CD1 4.07Å; L82-I102 HydrophobicContact CG-CD1 3.86Å; I102-L132 HydrophobicContact CG2-CD1 4.02Å; I102-L134 HydrophobicContact CG1-CD1 3.63Å |
| 103 | L | 94.2 | Very high | 93.3 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 175.3 | -173.6 | -59.3 | 176.8 | 0 | 0 | 0 | 109.8 | A101 H127 H133 Q135 | A101-L103 HydrophobicContact CB-CD1 4.47Å; A101-L103 HydrophobicContact CB-CD2 4.32Å; A101-L103 HydrophobicContact CB-CG 4.17Å; L103-H127 HydrophobicContact CB-CB 4.15Å; L103-H133 PolarHBondContact N-O 3.43Å; L103-H133 PolarHBondContact O-N 3.11Å; L103-H133 VanDerWaalsContact O-O 3.08Å; L103-Q135 HydrophobicContact CD1-CB 4.04Å |
| 104 | G | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 89.9 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S107 H127 L128 Q130 | G104-S107 WeakPolarHBondContact O-CB 3.27Å; G104-S107 PolarHBondContact O-N 2.67Å; G104-S107 PolarHBondContact O-OG 3.11Å; G104-H127 VanDerWaalsContact CA-O 3.26Å; G104-H127 WeakPolarHBondContact CA-O 3.47Å; G104-H127 PolarHBondContact N-ND1 3.12Å; G104-L128 WeakPolarHBondContact O-CD2 3.26Å; G104-Q130 CarbonylContact C-O 3.03Å; G104-Q130 WeakPolarHBondContact CA-O 3.3Å |
| 105 | A | 91.8 | Very high | 92.7 | Very high | 36 Ų | 36 | 65 Ų | 65 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 129.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E114 Q130 L132 | A105-E114 VanDerWaalsContact CA-OE1 3.24Å; A105-E114 WeakPolarHBondContact CA-OE1 3.45Å; A105-Q130 PolarHBondContact N-O 2.86Å; A105-L132 WeakPolarHBondContact O-CB 3.39Å |
| 106 | G | 89.3 | Confident | 92.5 | Very high | 28 Ų | 28 | 66.2 Ų | 66.2 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 9.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | L108 E114 | G106-L108 VanDerWaalsContact C-N 3.34Å; G106-E114 PolarHBondContact N-OE2 3.19Å |
| 107 | S | 90.2 | Very high | 92.2 | Very high | 30 Ų | 30 | 67.9 Ų | 67.9 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | trans | -75.2 | -25.2 | 171.1 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | G104 L128 | G104-S107 WeakPolarHBondContact O-CB 3.27Å; G104-S107 PolarHBondContact O-N 2.67Å; G104-S107 PolarHBondContact O-OG 3.11Å; S107-L128 WeakPolarHBondContact OG-CD2 3.36Å | ||
| 108 | L | 90.3 | Very high | 91.8 | Very high | 53 Ų | 53 | 65.8 Ų | 65.8 | 28% | 0.277 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -88.9 | 152.9 | 167.8 | -75.4 | 97.7 | 0 | 0 | 0 | 110.3 | G106 D110 E114 L117 L128 | G106-L108 VanDerWaalsContact C-N 3.34Å; L108-D110 PolarHBondContact O-N 3.01Å; L108-E114 HydrophobicContact CD1-CG 4.24Å; L108-L117 HydrophobicContact CD2-CD1 3.9Å; L108-L128 HydrophobicContact CD1-CD1 4.09Å; L108-L128 HydrophobicContact CD1-CD2 3.41Å; L108-L128 VanDerWaalsContact CD1-CD2 3.41Å; L108-L128 HydrophobicContact CD1-CG 4.35Å |
| 109 | R | 86.6 | Confident | 91.3 | Very high | 255 Ų | 255 | 69.7 Ų | 69.7 | 96% | 0.962 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -66.6 | -22.4 | 178.4 | -178 | 173.4 | 175.1 | 175.6 | 0.1 | 113.5 | ||
| 110 | D | 91 | Very high | 90.9 | Very high | 64 Ų | 64 | 67.5 Ų | 67.5 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | trans | -130.8 | 105.9 | -168.6 | -175.8 | -10.6 | 0 | 0 | 0 | 110.3 | L108 A112 K113 E114 | L108-D110 PolarHBondContact O-N 3.01Å; D110-A112 PolarHBondContact O-N 3.41Å; D110-A112 WeakPolarHBondContact OD1-CB 3.24Å; D110-A112 PolarHBondContact OD1-N 3.24Å; D110-K113 HydrophobicContact CB-CB 4.18Å; D110-K113 HydrophobicContact CB-CD 4.05Å; D110-K113 HydrophobicContact CB-CG 4.21Å; D110-K113 PolarHBondContact O-N 3.45Å; D110-K113 VanDerWaalsContact OD2-CD 3.31Å; D110-K113 WeakPolarHBondContact OD2-CD 3.26Å; D110-K113 WeakPolarHBondContact OD2-CE 3.18Å; D110-K113 WeakPolarHBondContact OD2-CG 3.33Å; D110-K113 IonicContact OD2-NZ 3.75Å; D110-E114 PolarHBondContact O-N 2.95Å | ||
| 111 | D | 88.4 | Confident | 90.1 | Very high | 104 Ų | 104 | 69.5 Ų | 69.5 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.6 | -30.4 | -178.8 | -65.4 | -0.5 | 0 | 0 | 0 | 112.7 | E114 K115 | D111-E114 WeakPolarHBondContact O-CB 3.12Å; D111-E114 PolarHBondContact O-N 3.06Å; D111-K115 WeakPolarHBondContact O-CG 3.36Å; D111-K115 PolarHBondContact O-N 3.13Å; D111-K115 VanDerWaalsContact O-N 3.08Å |
| 112 | A | 90.9 | Very high | 89.7 | Confident | 69 Ų | 69 | 71.5 Ų | 71.5 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -69.3 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D110 E114 K115 Q116 | D110-A112 PolarHBondContact O-N 3.41Å; D110-A112 WeakPolarHBondContact OD1-CB 3.24Å; D110-A112 PolarHBondContact OD1-N 3.24Å; A112-E114 VanDerWaalsContact C-N 3.31Å; A112-K115 PolarHBondContact O-N 3.26Å; A112-Q116 PolarHBondContact O-N 3.34Å |
| 113 | K | 91.3 | Very high | 89.1 | Confident | 120 Ų | 120 | 75 Ų | 75 | 52% | 0.522 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 172.8 | -70.4 | 178.9 | -172.8 | 170.3 | 0 | 111.5 | D110 K115 Q116 L117 | D110-K113 HydrophobicContact CB-CB 4.18Å; D110-K113 HydrophobicContact CB-CD 4.05Å; D110-K113 HydrophobicContact CB-CG 4.21Å; D110-K113 PolarHBondContact O-N 3.45Å; D110-K113 VanDerWaalsContact OD2-CD 3.31Å; D110-K113 WeakPolarHBondContact OD2-CD 3.26Å; D110-K113 WeakPolarHBondContact OD2-CE 3.18Å; D110-K113 WeakPolarHBondContact OD2-CG 3.33Å; D110-K113 IonicContact OD2-NZ 3.75Å; K113-K115 PolarHBondContact O-N 3.09Å; K113-Q116 PolarHBondContact O-N 2.99Å; K113-L117 WeakPolarHBondContact O-CB 3.24Å; K113-L117 VanDerWaalsContact O-CG 3.27Å; K113-L117 WeakPolarHBondContact O-CG 3.15Å; K113-L117 PolarHBondContact O-N 3.27Å |
| 114 | E | 90.8 | Very high | 88.6 | Confident | 12 Ų | 12 | 80.9 Ų | 80.9 | 6% | 0.056 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 176.5 | -163.8 | -178 | 122.3 | 0 | 0 | 111.7 | A105 G106 L108 D110 D111 A112 Q116 L117 L118 L128 | A105-E114 VanDerWaalsContact CA-OE1 3.24Å; A105-E114 WeakPolarHBondContact CA-OE1 3.45Å; G106-E114 PolarHBondContact N-OE2 3.19Å; L108-E114 HydrophobicContact CD1-CG 4.24Å; D110-E114 PolarHBondContact O-N 2.95Å; D111-E114 WeakPolarHBondContact O-CB 3.12Å; D111-E114 PolarHBondContact O-N 3.06Å; A112-E114 VanDerWaalsContact C-N 3.31Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 2.89Å; E114-L117 PolarHBondContact O-N 2.83Å; E114-L118 PolarHBondContact O-N 2.83Å; E114-L128 HydrophobicContact CG-CB 4.04Å; E114-L128 HydrophobicContact CG-CD1 3.55Å; E114-L128 HydrophobicContact CG-CD2 3.7Å; E114-L128 HydrophobicContact CG-CG 3.93Å |
| 115 | K | 89.8 | Confident | 88.5 | Confident | 155 Ų | 155 | 83.1 Ų | 83.1 | 67% | 0.674 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62 | -39.1 | 177.5 | -71.5 | 176.9 | -177.9 | 176.1 | 0 | 112.5 | D111 A112 K113 L118 S119 | D111-K115 WeakPolarHBondContact O-CG 3.36Å; D111-K115 PolarHBondContact O-N 3.13Å; D111-K115 VanDerWaalsContact O-N 3.08Å; A112-K115 PolarHBondContact O-N 3.26Å; K113-K115 PolarHBondContact O-N 3.09Å; K115-L118 PolarHBondContact O-N 3.36Å; K115-S119 PolarHBondContact O-N 3.06Å |
| 116 | Q | 91.5 | Very high | 88.2 | Confident | 121 Ų | 121 | 86.1 Ų | 86.1 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64 | -46.4 | 176.2 | -170.9 | 179.9 | 8.4 | 0 | 0 | 111.6 | A112 K113 E114 L118 S119 N120 | A112-Q116 PolarHBondContact O-N 3.34Å; K113-Q116 PolarHBondContact O-N 2.99Å; E114-Q116 VanDerWaalsContact C-N 3.33Å; E114-Q116 PolarHBondContact O-N 2.89Å; Q116-L118 VanDerWaalsContact C-N 3.3Å; Q116-L118 PolarHBondContact O-N 2.76Å; Q116-S119 PolarHBondContact O-N 2.82Å; Q116-S119 VanDerWaalsContact O-N 3.11Å; Q116-S119 PolarHBondContact O-OG 2.82Å; Q116-N120 PolarHBondContact O-N 2.97Å; Q116-N120 VanDerWaalsContact O-N 3.11Å; Q116-N120 PolarHBondContact O-OD1 2.89Å |
| 117 | L | 90.3 | Very high | 88.3 | Confident | 37 Ų | 37 | 86.7 Ų | 86.7 | 19% | 0.194 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.2 | -33.1 | 179 | -68 | 172.8 | 0 | 0 | 0 | 112.6 | L108 K113 E114 Y125 | L108-L117 HydrophobicContact CD2-CD1 3.9Å; K113-L117 WeakPolarHBondContact O-CB 3.24Å; K113-L117 VanDerWaalsContact O-CG 3.27Å; K113-L117 WeakPolarHBondContact O-CG 3.15Å; K113-L117 PolarHBondContact O-N 3.27Å; E114-L117 PolarHBondContact O-N 2.83Å; L117-Y125 HydrophobicContact CB-CD1 4.24Å; L117-Y125 HydrophobicContact CB-CD2 3.8Å; L117-Y125 HydrophobicContact CB-CE2 4.2Å; L117-Y125 HydrophobicContact CB-CG 3.88Å; L117-Y125 HydrophobicContact CD1-CD1 4.18Å; L117-Y125 HydrophobicContact CD1-CE1 3.79Å; L117-Y125 HydrophobicContact CD1-CE2 4.31Å; L117-Y125 HydrophobicContact CD2-CD2 4.15Å; L117-Y125 HydrophobicContact CD2-CE2 3.71Å; L117-Y125 HydrophobicContact CG-CD2 4.39Å; L117-Y125 HydrophobicContact CG-CE2 4.29Å |
| 118 | L | 87.8 | Confident | 88.4 | Confident | 48 Ų | 48 | 85.4 Ų | 85.4 | 25% | 0.251 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 169.8 | -87.2 | 174.3 | 0 | 0 | 0 | 112.5 | E114 K115 Q116 N120 G121 Y125 L128 K129 | E114-L118 PolarHBondContact O-N 2.83Å; K115-L118 PolarHBondContact O-N 3.36Å; Q116-L118 VanDerWaalsContact C-N 3.3Å; Q116-L118 PolarHBondContact O-N 2.76Å; L118-N120 VanDerWaalsContact C-N 3.29Å; L118-N120 PolarHBondContact O-N 3.34Å; L118-G121 PolarHBondContact O-N 2.84Å; L118-Y125 WeakPolarHBondContact CD2-O 3.27Å; L118-L128 HydrophobicContact CD1-CB 3.67Å; L118-L128 HydrophobicContact CD2-CB 3.71Å; L118-L128 HydrophobicContact CD2-CD1 4.39Å; L118-L128 HydrophobicContact CG-CB 3.64Å; L118-L128 HydrophobicContact CG-CD1 3.92Å; L118-L128 HydrophobicContact CG-CG 4.41Å; L118-K129 HydrophobicContact CD2-CG 3.77Å |
| 119 | S | 87.9 | Confident | 88.3 | Confident | 93 Ų | 93 | 91.2 Ų | 91.2 | 65% | 0.65 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.2 | -27 | 179.8 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | K115 Q116 G121 | K115-S119 PolarHBondContact O-N 3.06Å; Q116-S119 PolarHBondContact O-N 2.82Å; Q116-S119 VanDerWaalsContact O-N 3.11Å; Q116-S119 PolarHBondContact O-OG 2.82Å; S119-G121 PolarHBondContact O-N 3.13Å |
| 120 | N | 86.4 | Confident | 88.4 | Confident | 93 Ų | 93 | 81.7 Ų | 81.7 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.7 | 175.3 | -67.5 | -8.5 | 0 | 0 | 0 | 112.9 | Q116 L118 D122 | Q116-N120 PolarHBondContact O-N 2.97Å; Q116-N120 VanDerWaalsContact O-N 3.11Å; Q116-N120 PolarHBondContact O-OD1 2.89Å; L118-N120 VanDerWaalsContact C-N 3.29Å; L118-N120 PolarHBondContact O-N 3.34Å; N120-D122 VanDerWaalsContact C-N 3.34Å; N120-D122 PolarHBondContact O-N 2.85Å |
| 121 | G | 81.2 | Confident | 88.5 | Confident | 52 Ų | 52 | 83.8 Ų | 83.8 | 54% | 0.536 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 6.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L118 S119 | L118-G121 PolarHBondContact O-N 2.84Å; S119-G121 PolarHBondContact O-N 3.13Å |
| 122 | D | 86 | Confident | 88.8 | Confident | 75 Ų | 75 | 79 Ų | 79 | 40% | 0.401 | 41% | 0.409 | S | S | . | . | trans | -63.7 | 132.2 | -178.1 | -68 | -41.8 | 0 | 0 | 0 | 111.8 | N120 K124 Y125 | N120-D122 VanDerWaalsContact C-N 3.34Å; N120-D122 PolarHBondContact O-N 2.85Å; D122-K124 PolarHBondContact O-N 3.07Å; D122-Y125 HydrophobicContact CB-CD2 3.81Å; D122-Y125 HydrophobicContact CB-CE2 4.35Å; D122-Y125 PolarHBondContact O-N 3.36Å | ||
| 123 | P | 82.1 | Confident | 89 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 66% | 0.656 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -55.4 | -28.6 | 176.7 | -28 | 35.5 | 0 | 0 | 0 | 114.1 | Y125 Q126 | P123-Y125 PolarHBondContact O-N 2.74Å; P123-Q126 PolarHBondContact O-N 2.84Å |
| 124 | K | 85.1 | Confident | 89.3 | Confident | 152 Ų | 152 | 70.1 Ų | 70.1 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -60.1 | -28.7 | 177.8 | -173.9 | 179.3 | 176.4 | -172.8 | 0 | 112.9 | D122 H127 | D122-K124 PolarHBondContact O-N 3.07Å; K124-H127 PolarHBondContact O-CD2 2.87Å; K124-H127 PolarHBondContact O-NE2 2.86Å |
| 125 | Y | 89 | Confident | 89.5 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -108.9 | 3.7 | -173 | -63.1 | -57.1 | 0 | 0 | 0 | 113.1 | L117 L118 D122 P123 H127 L128 | L117-Y125 HydrophobicContact CB-CD1 4.24Å; L117-Y125 HydrophobicContact CB-CD2 3.8Å; L117-Y125 HydrophobicContact CB-CE2 4.2Å; L117-Y125 HydrophobicContact CB-CG 3.88Å; L117-Y125 HydrophobicContact CD1-CD1 4.18Å; L117-Y125 HydrophobicContact CD1-CE1 3.79Å; L117-Y125 HydrophobicContact CD1-CE2 4.31Å; L117-Y125 HydrophobicContact CD2-CD2 4.15Å; L117-Y125 HydrophobicContact CD2-CE2 3.71Å; L117-Y125 HydrophobicContact CG-CD2 4.39Å; L117-Y125 HydrophobicContact CG-CE2 4.29Å; L118-Y125 WeakPolarHBondContact CD2-O 3.27Å; D122-Y125 HydrophobicContact CB-CD2 3.81Å; D122-Y125 HydrophobicContact CB-CE2 4.35Å; D122-Y125 PolarHBondContact O-N 3.36Å; P123-Y125 PolarHBondContact O-N 2.74Å; Y125-H127 PolarHBondContact O-N 3.28Å; Y125-H127 VanDerWaalsContact O-N 3.13Å; Y125-L128 HydrophobicContact CD1-CD1 4.05Å; Y125-L128 HydrophobicContact CG-CD1 4.25Å; Y125-L128 WeakPolarHBondContact O-CB 3.38Å; Y125-L128 VanDerWaalsContact O-CG 3.27Å; Y125-L128 WeakPolarHBondContact O-CG 3.3Å; Y125-L128 PolarHBondContact O-N 2.98Å |
| 126 | Q | 87.4 | Confident | 89.8 | Confident | 99 Ų | 99 | 63 Ų | 63 | 46% | 0.463 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -58.4 | -28.9 | 178.9 | -75.6 | -179.9 | 7.1 | 0 | 0 | 113.4 | P123 L128 K129 | P123-Q126 PolarHBondContact O-N 2.84Å; Q126-L128 PolarHBondContact O-N 3.42Å; Q126-K129 PolarHBondContact O-N 3.47Å |
| 127 | H | 89.9 | Confident | 90 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 18% | 0.181 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -62.1 | -22.6 | 178.4 | 65.7 | 80.2 | 0 | 0 | 0 | 113.4 | L103 G104 K124 Y125 K129 Q130 | L103-H127 HydrophobicContact CB-CB 4.15Å; G104-H127 VanDerWaalsContact CA-O 3.26Å; G104-H127 WeakPolarHBondContact CA-O 3.47Å; G104-H127 PolarHBondContact N-ND1 3.12Å; K124-H127 PolarHBondContact O-CD2 2.87Å; K124-H127 PolarHBondContact O-NE2 2.86Å; Y125-H127 PolarHBondContact O-N 3.28Å; Y125-H127 VanDerWaalsContact O-N 3.13Å; H127-K129 PolarHBondContact O-N 3.47Å; H127-Q130 WeakPolarHBondContact O-CB 3.26Å; H127-Q130 PolarHBondContact O-N 2.94Å |
| 128 | L | 92 | Very high | 90.3 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -67.3 | -17.1 | -178.5 | -56.4 | 168.3 | 0 | 0 | 0 | 112.5 | G104 S107 L108 E114 L118 Y125 Q126 Q130 | G104-L128 WeakPolarHBondContact O-CD2 3.26Å; S107-L128 WeakPolarHBondContact OG-CD2 3.36Å; L108-L128 HydrophobicContact CD1-CD1 4.09Å; L108-L128 HydrophobicContact CD1-CD2 3.41Å; L108-L128 VanDerWaalsContact CD1-CD2 3.41Å; L108-L128 HydrophobicContact CD1-CG 4.35Å; E114-L128 HydrophobicContact CG-CB 4.04Å; E114-L128 HydrophobicContact CG-CD1 3.55Å; E114-L128 HydrophobicContact CG-CD2 3.7Å; E114-L128 HydrophobicContact CG-CG 3.93Å; L118-L128 HydrophobicContact CD1-CB 3.67Å; L118-L128 HydrophobicContact CD2-CB 3.71Å; L118-L128 HydrophobicContact CD2-CD1 4.39Å; L118-L128 HydrophobicContact CG-CB 3.64Å; L118-L128 HydrophobicContact CG-CD1 3.92Å; L118-L128 HydrophobicContact CG-CG 4.41Å; Y125-L128 HydrophobicContact CD1-CD1 4.05Å; Y125-L128 HydrophobicContact CG-CD1 4.25Å; Y125-L128 WeakPolarHBondContact O-CB 3.38Å; Y125-L128 VanDerWaalsContact O-CG 3.27Å; Y125-L128 WeakPolarHBondContact O-CG 3.3Å; Y125-L128 PolarHBondContact O-N 2.98Å; Q126-L128 PolarHBondContact O-N 3.42Å; L128-Q130 PolarHBondContact O-N 3.34Å |
| 129 | K | 88.6 | Confident | 90.5 | Very high | 175 Ų | 175 | 58 Ų | 58 | 76% | 0.761 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -69.7 | -16.5 | 170.4 | -61.7 | -175.5 | 179.2 | -178.6 | 0 | 113.2 | L118 Q126 H127 | L118-K129 HydrophobicContact CD2-CG 3.77Å; Q126-K129 PolarHBondContact O-N 3.47Å; H127-K129 PolarHBondContact O-N 3.47Å |
| 130 | Q | 89.7 | Confident | 90.7 | Very high | 55 Ų | 55 | 54 Ų | 54 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -93.6 | 157.8 | -176.8 | -56.6 | -176.1 | -19.2 | 0 | 0 | 111.2 | G104 A105 H127 L128 H133 | G104-Q130 CarbonylContact C-O 3.03Å; G104-Q130 WeakPolarHBondContact CA-O 3.3Å; A105-Q130 PolarHBondContact N-O 2.86Å; H127-Q130 WeakPolarHBondContact O-CB 3.26Å; H127-Q130 PolarHBondContact O-N 2.94Å; L128-Q130 PolarHBondContact O-N 3.34Å; Q130-H133 PolarHBondContact OE1-CE1 3.09Å |
| 131 | K | 92.6 | Very high | 91.1 | Very high | 107 Ų | 107 | 51 Ų | 51 | 47% | 0.465 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 150.6 | 171.6 | -54.4 | -165.2 | 83.2 | 173.7 | 0 | 110.9 | E70 H133 | E70-K131 VanDerWaalsContact CD-NZ 3.31Å; E70-K131 WeakPolarHBondContact OE1-CE 3.37Å; E70-K131 IonicContact OE1-NZ 3.39Å; E70-K131 PolarHBondContact OE1-NZ 2.92Å; E70-K131 IonicContact OE2-NZ 3.48Å; E70-K131 PolarHBondContact OE2-NZ 3.29Å; K131-H133 PolarHBondContact O-N 3.23Å; K131-H133 PolarHBondContact O-ND1 3.39Å |
| 132 | L | 95.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -53 | 125.8 | 177.4 | -172.8 | 66.8 | 0 | 0 | 0 | 110.8 | I67 Q69 V78 I102 A105 | I67-L132 HydrophobicContact CB-CB 4.44Å; I67-L132 HydrophobicContact CB-CD2 3.96Å; I67-L132 HydrophobicContact CB-CG 4Å; I67-L132 HydrophobicContact CD1-CD2 4.28Å; I67-L132 HydrophobicContact CD1-CG 4.12Å; I67-L132 HydrophobicContact CG1-CG 4.44Å; I67-L132 HydrophobicContact CG2-CD2 3.84Å; I67-L132 HydrophobicContact CG2-CG 4.43Å; I67-L132 PolarHBondContact N-O 3.19Å; Q69-L132 HydrophobicContact CB-CD2 4.5Å; Q69-L132 HydrophobicContact CG-CD2 4.49Å; V78-L132 HydrophobicContact CG2-CD1 4.36Å; V78-L132 HydrophobicContact CG2-CD2 3.9Å; I102-L132 HydrophobicContact CG2-CD1 4.02Å; A105-L132 WeakPolarHBondContact O-CB 3.39Å |
| 133 | H | 95.5 | Very high | 92 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 154.1 | -178.2 | 62.7 | -83.1 | 0 | 0 | 0 | 112.4 | K64 I65 L103 Q130 K131 | K64-H133 HydrophobicContact CD-CB 4.34Å; K64-H133 WeakPolarHBondContact CE-ND1 3.24Å; K64-H133 HydrophobicContact CG-CB 3.86Å; I65-H133 CarbonylContact O-C 3.57Å; I65-H133 WeakPolarHBondContact O-CA 3.49Å; I65-H133 VanDerWaalsContact O-CB 3.24Å; I65-H133 WeakPolarHBondContact O-CB 3.18Å; L103-H133 PolarHBondContact N-O 3.43Å; L103-H133 PolarHBondContact O-N 3.11Å; L103-H133 VanDerWaalsContact O-O 3.08Å; Q130-H133 PolarHBondContact OE1-CE1 3.09Å; K131-H133 PolarHBondContact O-N 3.23Å; K131-H133 PolarHBondContact O-ND1 3.39Å |
| 134 | L | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121.2 | 165.6 | -175.3 | 70.5 | 0 | 0 | 0 | 108.9 | I65 I67 L81 L89 M100 I102 V136 V156 | I65-L134 HydrophobicContact CB-CB 4.31Å; I65-L134 HydrophobicContact CD1-CD2 4.26Å; I65-L134 PolarHBondContact N-O 3.26Å; I65-L134 PolarHBondContact O-N 3.24Å; I67-L134 HydrophobicContact CD1-CB 4.48Å; L81-L134 HydrophobicContact CD1-CD2 4.46Å; L81-L134 HydrophobicContact CD2-CD2 4.41Å; L89-L134 HydrophobicContact CD1-CD1 4.22Å; M100-L134 HydrophobicContact CB-CD1 4.26Å; M100-L134 HydrophobicContact SD-CD2 4.38Å; I102-L134 HydrophobicContact CG1-CD1 3.63Å; L134-V136 HydrophobicContact CD2-CG2 4.34Å; L134-V136 HydrophobicContact CG-CG2 4.37Å; L134-V156 HydrophobicContact CD2-CB 4.45Å; L134-V156 HydrophobicContact CD2-CG1 3.74Å; L134-V156 HydrophobicContact CD2-CG2 3.81Å |
| 135 | Q | 95.2 | Very high | 93 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.4 | 170.6 | -174.2 | -179.9 | -71.2 | 0 | 0 | 109.4 | R62 A63 M100 A101 L103 D137 | R62-Q135 HydrophobicContact CG-CG 3.81Å; R62-Q135 VanDerWaalsContact CZ-NE2 3.26Å; A63-Q135 WeakPolarHBondContact O-CA 3.1Å; M100-Q135 CarbonylContact C-O 3.54Å; M100-Q135 VanDerWaalsContact CA-O 3.25Å; M100-Q135 WeakPolarHBondContact CA-O 3.46Å; A101-Q135 PolarHBondContact N-O 3.04Å; A101-Q135 PolarHBondContact O-N 3.27Å; L103-Q135 HydrophobicContact CD1-CB 4.04Å; Q135-D137 PolarHBondContact NE2-OD2 3.46Å |
| 136 | V | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.9 | 174.1 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | R62 A63 I65 T98 M100 L134 L149 A152 | R62-V136 CarbonylContact C-O 3.43Å; R62-V136 VanDerWaalsContact CA-O 3.27Å; R62-V136 WeakPolarHBondContact CA-O 3.38Å; A63-V136 PolarHBondContact N-O 3.05Å; A63-V136 PolarHBondContact O-N 2.99Å; I65-V136 HydrophobicContact CD1-CG2 4.02Å; T98-V136 HydrophobicContact CG2-CG1 4.23Å; M100-V136 HydrophobicContact CE-CG1 4.09Å; M100-V136 HydrophobicContact CE-CG2 4.4Å; M100-V136 HydrophobicContact CG-CG1 4.21Å; M100-V136 HydrophobicContact CG-CG2 4.15Å; M100-V136 HydrophobicContact SD-CG2 4.44Å; L134-V136 HydrophobicContact CD2-CG2 4.34Å; L134-V136 HydrophobicContact CG-CG2 4.37Å; V136-L149 HydrophobicContact CB-CD1 3.94Å; V136-L149 HydrophobicContact CG1-CD1 3.64Å; V136-A152 HydrophobicContact CG1-CB 3.87Å |
| 137 | D | 95.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.6 | 178.5 | -76.9 | -31.4 | 0 | 0 | 0 | 109.6 | R62 K99 Q135 | R62-D137 VanDerWaalsContact CB-OD1 3.24Å; R62-D137 WeakPolarHBondContact CB-OD1 3.42Å; R62-D137 WeakPolarHBondContact CD-OD1 3.35Å; R62-D137 WeakPolarHBondContact CG-OD1 3.35Å; R62-D137 IonicContact CZ-OD1 3.98Å; R62-D137 IonicContact CZ-OD2 2.83Å; R62-D137 IonicContact NE-OD1 2.65Å; R62-D137 PolarHBondContact NE-OD1 3.39Å; R62-D137 IonicContact NE-OD2 3.33Å; R62-D137 IonicContact NH2-OD1 3.06Å; R62-D137 PolarHBondContact NH2-OD1 3.42Å; R62-D137 IonicContact NH2-OD2 3.69Å; R62-D137 PolarHBondContact NH2-OD2 3.27Å; R62-D137 VanDerWaalsContact NH2-OD2 3.08Å; K99-D137 HydrophobicContact CB-CB 4.28Å; K99-D137 PolarHBondContact N-O 2.64Å; K99-D137 PolarHBondContact O-N 3.28Å; Q135-D137 PolarHBondContact NE2-OD2 3.46Å |
| 138 | S | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.2 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | K60 V61 S145 | K60-S138 WeakPolarHBondContact CA-O 3.47Å; V61-S138 PolarHBondContact N-O 3.22Å; V61-S138 PolarHBondContact O-N 3.28Å; S138-S145 WeakPolarHBondContact CB-O 3.37Å; S138-S145 VanDerWaalsContact OG-CA 3.26Å; S138-S145 WeakPolarHBondContact OG-CA 3.2Å; S138-S145 PolarHBondContact OG-O 3.04Å |
| 139 | L | 92.9 | Very high | 94.4 | Very high | 81 Ų | 81 | 39 Ų | 39 | 42% | 0.424 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.3 | 178.8 | -169.2 | 74 | 0 | 0 | 0 | 109.9 | I3 V59 K60 | I3-L139 HydrophobicContact CB-CD2 4.39Å; I3-L139 HydrophobicContact CG2-CD1 3.26Å; I3-L139 HydrophobicContact CG2-CD2 3.79Å; I3-L139 HydrophobicContact CG2-CG 3.95Å; V59-L139 WeakPolarHBondContact O-CD1 3.21Å; K60-L139 HydrophobicContact CB-CD1 3.75Å; K60-L139 HydrophobicContact CG-CD1 4.34Å |
| 140 | G | 93 | Very high | 94.8 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.7 | -171.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P58 V59 | P58-G140 CarbonylContact C-O 3.57Å; P58-G140 WeakPolarHBondContact CA-O 3.05Å; V59-G140 PolarHBondContact N-O 3.19Å; V59-G140 PolarHBondContact O-N 3.49Å |
| 141 | P | 93.7 | Very high | 95.2 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 20% | 0.201 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -51.1 | 149.3 | 168.9 | -25.5 | 34.8 | 0 | 0 | 0 | 111.5 | S143 E144 S145 | P141-S143 VanDerWaalsContact C-N 3.28Å; P141-S143 PolarHBondContact O-N 2.83Å; P141-E144 HydrophobicContact CG-CG 4.5Å; P141-E144 PolarHBondContact O-N 3.43Å; P141-S145 WeakPolarHBondContact O-CB 3.28Å; P141-S145 PolarHBondContact O-N 2.94Å; P141-S145 PolarHBondContact O-OG 3.12Å |
| 142 | P | 92.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -50.7 | -45.1 | -177.9 | -29.5 | 36.1 | 0 | 0 | 0 | 113.6 | F51 L53 N56 V59 S145 C146 | F51-P142 HydrophobicContact CB-CB 4.12Å; F51-P142 HydrophobicContact CB-CG 4.23Å; F51-P142 HydrophobicContact CD1-CB 3.98Å; F51-P142 HydrophobicContact CD1-CG 4.23Å; F51-P142 HydrophobicContact CG-CB 4.15Å; L53-P142 HydrophobicContact CD2-CB 3.9Å; L53-P142 HydrophobicContact CD2-CG 4.22Å; N56-P142 WeakPolarHBondContact OD1-CD 3.4Å; V59-P142 HydrophobicContact CG1-CG 4.37Å; V59-P142 HydrophobicContact CG2-CB 4.22Å; V59-P142 HydrophobicContact CG2-CG 3.95Å; P142-S145 PolarHBondContact O-OG 2.91Å; P142-S145 VanDerWaalsContact O-OG 3.12Å; P142-C146 WeakPolarHBondContact O-CB 3.49Å; P142-C146 PolarHBondContact O-N 3.08Å; P142-C146 PolarHBondContact O-SG 2.7Å |
| 143 | S | 93.7 | Very high | 95.5 | Very high | 87 Ų | 87 | 31.2 Ų | 31.2 | 61% | 0.608 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -63.2 | -49.7 | 179.5 | -51.3 | 0 | 0 | 0 | 0 | 112.7 | P141 Y147 | P141-S143 VanDerWaalsContact C-N 3.28Å; P141-S143 PolarHBondContact O-N 2.83Å; S143-Y147 WeakPolarHBondContact O-CB 3.39Å; S143-Y147 PolarHBondContact O-N 2.84Å; S143-Y147 VanDerWaalsContact O-N 3.09Å |
| 144 | E | 94.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 33.4 Ų | 33.4 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.4 | -42 | -179.3 | -70.1 | -178.9 | -160.5 | 0 | 0 | 112.4 | P141 Y147 R148 Y277 | P141-E144 HydrophobicContact CG-CG 4.5Å; P141-E144 PolarHBondContact O-N 3.43Å; E144-Y147 PolarHBondContact O-N 3.25Å; E144-R148 WeakPolarHBondContact O-CB 3.37Å; E144-R148 VanDerWaalsContact O-CG 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.43Å; E144-R148 PolarHBondContact O-N 3.18Å; E144-R148 IonicContact OE2-CZ 3.94Å; E144-R148 IonicContact OE2-NH1 3.48Å; E144-R148 IonicContact OE2-NH2 2.71Å; E144-R148 PolarHBondContact OE2-NH2 3.18Å; E144-Y277 WeakPolarHBondContact OE1-CD1 3.27Å |
| 145 | S | 94.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | -176.2 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | S138 P141 P142 L149 | S138-S145 WeakPolarHBondContact CB-O 3.37Å; S138-S145 VanDerWaalsContact OG-CA 3.26Å; S138-S145 WeakPolarHBondContact OG-CA 3.2Å; S138-S145 PolarHBondContact OG-O 3.04Å; P141-S145 WeakPolarHBondContact O-CB 3.28Å; P141-S145 PolarHBondContact O-N 2.94Å; P141-S145 PolarHBondContact O-OG 3.12Å; P142-S145 PolarHBondContact O-OG 2.91Å; P142-S145 VanDerWaalsContact O-OG 3.12Å; S145-L149 VanDerWaalsContact O-CB 3.3Å; S145-L149 WeakPolarHBondContact O-CB 3.47Å; S145-L149 PolarHBondContact O-N 3.19Å |
| 146 | C | 95.1 | Very high | 95.3 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 173.1 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | P142 L149 A150 | P142-C146 WeakPolarHBondContact O-CB 3.49Å; P142-C146 PolarHBondContact O-N 3.08Å; P142-C146 PolarHBondContact O-SG 2.7Å; C146-L149 PolarHBondContact O-N 3.2Å; C146-A150 WeakPolarHBondContact O-CB 3.18Å; C146-A150 PolarHBondContact O-N 2.71Å |
| 147 | Y | 97.1 | Very high | 95.1 | Very high | 81 Ų | 81 | 43.6 Ų | 43.6 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -51.6 | 175.5 | 169 | -113.1 | 0 | 0 | 0 | 112.1 | S143 E144 L149 A150 H151 F270 | S143-Y147 WeakPolarHBondContact O-CB 3.39Å; S143-Y147 PolarHBondContact O-N 2.84Å; S143-Y147 VanDerWaalsContact O-N 3.09Å; E144-Y147 PolarHBondContact O-N 3.25Å; Y147-L149 VanDerWaalsContact C-N 3.27Å; Y147-L149 PolarHBondContact O-N 3.03Å; Y147-A150 PolarHBondContact O-N 3.1Å; Y147-A150 VanDerWaalsContact O-N 3.12Å; Y147-H151 WeakPolarHBondContact O-CB 3.46Å; Y147-H151 PolarHBondContact O-N 3.46Å; Y147-F270 HydrophobicContact CD2-CE1 4.02Å; Y147-F270 HydrophobicContact CD2-CE2 4.47Å; Y147-F270 AromaticContact CD2-CZ 3.47Å; Y147-F270 HydrophobicContact CD2-CZ 3.47Å; Y147-F270 VanDerWaalsContact CD2-CZ 3.47Å; Y147-F270 HydrophobicContact CE2-CD1 4.41Å; Y147-F270 AromaticContact CE2-CE1 3.26Å; Y147-F270 HydrophobicContact CE2-CE1 3.26Å; Y147-F270 HydrophobicContact CE2-CE2 4.33Å; Y147-F270 AromaticContact CE2-CZ 3.19Å; Y147-F270 HydrophobicContact CE2-CZ 3.19Å |
| 148 | R | 97.6 | Very high | 94.9 | Very high | 36 Ų | 36 | 48 Ų | 48 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -41 | 177.5 | -73.5 | 173.4 | -174.5 | 161.4 | 12.4 | 111.6 | T96 K97 T98 E144 H151 A152 | T96-R148 WeakPolarHBondContact O-CB 3.29Å; T96-R148 WeakPolarHBondContact O-CG 3.35Å; K97-R148 HydrophobicContact CB-CG 4.43Å; T98-R148 HydrophobicContact CG2-CB 4Å; E144-R148 WeakPolarHBondContact O-CB 3.37Å; E144-R148 VanDerWaalsContact O-CG 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.43Å; E144-R148 PolarHBondContact O-N 3.18Å; E144-R148 IonicContact OE2-CZ 3.94Å; E144-R148 IonicContact OE2-NH1 3.48Å; E144-R148 IonicContact OE2-NH2 2.71Å; E144-R148 PolarHBondContact OE2-NH2 3.18Å; R148-H151 PolarHBondContact O-N 3.31Å; R148-A152 VanDerWaalsContact O-CB 3.3Å; R148-A152 WeakPolarHBondContact O-CB 3.41Å; R148-A152 PolarHBondContact O-N 2.88Å |
| 149 | L | 97.2 | Very high | 94.7 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 175.1 | -174.5 | 64.2 | 0 | 0 | 0 | 111.2 | V61 A63 V136 S145 C146 Y147 H151 A152 L153 | V61-L149 HydrophobicContact CB-CD2 4.17Å; V61-L149 HydrophobicContact CG1-CD2 3.47Å; V61-L149 VanDerWaalsContact CG1-CD2 3.47Å; A63-L149 HydrophobicContact CB-CD1 3.82Å; A63-L149 HydrophobicContact CB-CD2 4.3Å; A63-L149 HydrophobicContact CB-CG 4.4Å; V136-L149 HydrophobicContact CB-CD1 3.94Å; V136-L149 HydrophobicContact CG1-CD1 3.64Å; S145-L149 VanDerWaalsContact O-CB 3.3Å; S145-L149 WeakPolarHBondContact O-CB 3.47Å; S145-L149 PolarHBondContact O-N 3.19Å; C146-L149 PolarHBondContact O-N 3.2Å; Y147-L149 VanDerWaalsContact C-N 3.27Å; Y147-L149 PolarHBondContact O-N 3.03Å; L149-H151 PolarHBondContact O-N 3.39Å; L149-A152 WeakPolarHBondContact O-CB 3.35Å; L149-A152 PolarHBondContact O-N 3.27Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.34Å; L149-L153 PolarHBondContact O-N 2.97Å |
| 150 | A | 97.4 | Very high | 94.5 | Very high | 57 Ų | 57 | 47.1 Ų | 47.1 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C146 Y147 L153 A154 | C146-A150 WeakPolarHBondContact O-CB 3.18Å; C146-A150 PolarHBondContact O-N 2.71Å; Y147-A150 PolarHBondContact O-N 3.1Å; Y147-A150 VanDerWaalsContact O-N 3.12Å; A150-L153 PolarHBondContact O-N 3.2Å; A150-A154 PolarHBondContact O-N 3.3Å; A150-A154 VanDerWaalsContact O-N 3.07Å |
| 151 | H | 97.6 | Very high | 93.9 | Very high | 55 Ų | 55 | 52.1 Ų | 52.1 | 26% | 0.255 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 175.3 | -176.6 | -141.8 | 0 | 0 | 0 | 111.5 | Y147 R148 L149 L153 A154 E155 | Y147-H151 WeakPolarHBondContact O-CB 3.46Å; Y147-H151 PolarHBondContact O-N 3.46Å; R148-H151 PolarHBondContact O-N 3.31Å; L149-H151 PolarHBondContact O-N 3.39Å; H151-L153 PolarHBondContact O-N 3.24Å; H151-A154 WeakPolarHBondContact O-CB 3.36Å; H151-A154 PolarHBondContact O-N 2.96Å; H151-E155 PolarHBondContact O-N 2.92Å; H151-E155 VanDerWaalsContact O-N 3.12Å |
| 152 | A | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T96 T98 M100 V136 R148 L149 A154 E155 V156 | T96-A152 HydrophobicContact CG2-CB 3.98Å; T98-A152 HydrophobicContact CG2-CB 3.85Å; M100-A152 HydrophobicContact CE-CB 3.52Å; V136-A152 HydrophobicContact CG1-CB 3.87Å; R148-A152 VanDerWaalsContact O-CB 3.3Å; R148-A152 WeakPolarHBondContact O-CB 3.41Å; R148-A152 PolarHBondContact O-N 2.88Å; L149-A152 WeakPolarHBondContact O-CB 3.35Å; L149-A152 PolarHBondContact O-N 3.27Å; A152-A154 VanDerWaalsContact C-N 3.3Å; A152-A154 PolarHBondContact O-N 3.02Å; A152-E155 PolarHBondContact O-N 3.45Å; A152-V156 WeakPolarHBondContact O-CB 3.44Å; A152-V156 VanDerWaalsContact O-CG2 3.29Å; A152-V156 WeakPolarHBondContact O-CG2 3.39Å; A152-V156 PolarHBondContact O-N 3.46Å |
| 153 | L | 96.5 | Very high | 90.9 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.346 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 177 | -67.2 | 178.9 | 0 | 0 | 0 | 111.9 | A63 I65 L149 A150 H151 R157 | A63-L153 HydrophobicContact CB-CD2 4.18Å; I65-L153 HydrophobicContact CD1-CD2 3.46Å; I65-L153 VanDerWaalsContact CD1-CD2 3.46Å; I65-L153 HydrophobicContact CG1-CD2 3.88Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.34Å; L149-L153 PolarHBondContact O-N 2.97Å; A150-L153 PolarHBondContact O-N 3.2Å; H151-L153 PolarHBondContact O-N 3.24Å; L153-R157 VanDerWaalsContact O-CB 3.3Å; L153-R157 WeakPolarHBondContact O-CB 3.48Å; L153-R157 PolarHBondContact O-N 2.96Å |
| 154 | A | 95.5 | Very high | 89 | Confident | 47 Ų | 47 | 67 Ų | 67 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A150 H151 A152 R157 K158 | A150-A154 PolarHBondContact O-N 3.3Å; A150-A154 VanDerWaalsContact O-N 3.07Å; H151-A154 WeakPolarHBondContact O-CB 3.36Å; H151-A154 PolarHBondContact O-N 2.96Å; A152-A154 VanDerWaalsContact C-N 3.3Å; A152-A154 PolarHBondContact O-N 3.02Å; A154-R157 WeakPolarHBondContact O-CB 3.42Å; A154-R157 PolarHBondContact O-N 3.39Å; A154-K158 WeakPolarHBondContact O-CG 3.29Å; A154-K158 PolarHBondContact O-N 3.29Å |
| 155 | E | 94.1 | Very high | 87.1 | Confident | 50 Ų | 50 | 70.6 Ų | 70.6 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 177.6 | -71.3 | -55.4 | 127.3 | 0 | 0 | 112.4 | V92 T96 H151 A152 R157 K158 I159 | V92-E155 HydrophobicContact CG1-CB 3.94Å; T96-E155 HydrophobicContact CG2-CB 4.49Å; T96-E155 HydrophobicContact CG2-CG 4.19Å; H151-E155 PolarHBondContact O-N 2.92Å; H151-E155 VanDerWaalsContact O-N 3.12Å; A152-E155 PolarHBondContact O-N 3.45Å; E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 3.34Å; E155-K158 WeakPolarHBondContact O-CB 3.42Å; E155-K158 PolarHBondContact O-N 3.29Å; E155-K158 IonicContact OE1-NZ 3.24Å; E155-K158 PolarHBondContact OE1-NZ 3.07Å; E155-K158 IonicContact OE2-NZ 2.7Å; E155-I159 PolarHBondContact O-N 3.29Å |
| 156 | V | 94.4 | Very high | 85.1 | Confident | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.012 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 176.3 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | I65 L81 V92 M100 L134 A152 K158 I159 M160 | I65-V156 HydrophobicContact CD1-CB 4.41Å; I65-V156 HydrophobicContact CD1-CG1 3.86Å; L81-V156 HydrophobicContact CD2-CG1 4.11Å; V92-V156 HydrophobicContact CG1-CG2 4.48Å; M100-V156 HydrophobicContact CE-CG2 4.01Å; M100-V156 HydrophobicContact SD-CG2 3.96Å; L134-V156 HydrophobicContact CD2-CB 4.45Å; L134-V156 HydrophobicContact CD2-CG1 3.74Å; L134-V156 HydrophobicContact CD2-CG2 3.81Å; A152-V156 WeakPolarHBondContact O-CB 3.44Å; A152-V156 VanDerWaalsContact O-CG2 3.29Å; A152-V156 WeakPolarHBondContact O-CG2 3.39Å; A152-V156 PolarHBondContact O-N 3.46Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 3.14Å; V156-I159 PolarHBondContact O-N 2.83Å; V156-I159 VanDerWaalsContact O-N 3.14Å; V156-M160 HydrophobicContact CG1-CG 4.08Å; V156-M160 HydrophobicContact CG1-SD 3.67Å; V156-M160 WeakPolarHBondContact O-CG 3.21Å; V156-M160 PolarHBondContact O-N 2.83Å |
| 157 | R | 92.3 | Very high | 82.9 | Confident | 178 Ų | 178 | 77.8 Ų | 77.8 | 67% | 0.672 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.5 | -42.2 | 177.6 | -176.4 | -179.8 | 176.8 | -167 | -2.4 | 111.8 | L153 A154 E155 I159 M160 L161 | L153-R157 VanDerWaalsContact O-CB 3.3Å; L153-R157 WeakPolarHBondContact O-CB 3.48Å; L153-R157 PolarHBondContact O-N 2.96Å; A154-R157 WeakPolarHBondContact O-CB 3.42Å; A154-R157 PolarHBondContact O-N 3.39Å; E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 3.34Å; R157-I159 VanDerWaalsContact C-N 3.3Å; R157-I159 PolarHBondContact O-N 3.11Å; R157-M160 PolarHBondContact O-N 3Å; R157-L161 PolarHBondContact O-N 3.11Å |
| 158 | K | 91.5 | Very high | 80.9 | Confident | 113 Ų | 113 | 78 Ų | 78 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.4 | -36.7 | 177.1 | -65.1 | 170.6 | -175.3 | 171.9 | 0 | 112.4 | A154 E155 V156 L161 P162 | A154-K158 WeakPolarHBondContact O-CG 3.29Å; A154-K158 PolarHBondContact O-N 3.29Å; E155-K158 WeakPolarHBondContact O-CB 3.42Å; E155-K158 PolarHBondContact O-N 3.29Å; E155-K158 IonicContact OE1-NZ 3.24Å; E155-K158 PolarHBondContact OE1-NZ 3.07Å; E155-K158 IonicContact OE2-NZ 2.7Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 3.14Å; K158-L161 CarbonylContact O-C 3.5Å; K158-P162 WeakPolarHBondContact O-CA 3.27Å |
| 159 | I | 90.9 | Very high | 78.9 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 21% | 0.21 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -74.9 | -41.9 | -179.9 | -60.6 | 165.6 | 0 | 0 | 0 | 111.2 | K80 L81 T88 V92 E155 V156 R157 | K80-I159 HydrophobicContact CB-CG2 4.46Å; L81-I159 HydrophobicContact CD2-CB 4.35Å; L81-I159 HydrophobicContact CD2-CG2 4Å; T88-I159 HydrophobicContact CG2-CD1 3.98Å; V92-I159 HydrophobicContact CG2-CD1 3.68Å; E155-I159 PolarHBondContact O-N 3.29Å; V156-I159 PolarHBondContact O-N 2.83Å; V156-I159 VanDerWaalsContact O-N 3.14Å; R157-I159 VanDerWaalsContact C-N 3.3Å; R157-I159 PolarHBondContact O-N 3.11Å |
| 160 | M | 87.7 | Confident | 77 | Confident | 24 Ų | 24 | 86.4 Ų | 86.4 | 12% | 0.118 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -73 | -40.5 | -179 | -65.5 | -176.8 | 95.8 | 0 | 0 | 112.1 | I65 I67 F77 L81 V156 R157 | I65-M160 HydrophobicContact CG2-CE 4.47Å; I65-M160 HydrophobicContact CG2-SD 4.09Å; I67-M160 HydrophobicContact CB-CE 4.37Å; I67-M160 HydrophobicContact CG1-CE 3.81Å; I67-M160 HydrophobicContact CG2-CE 4.37Å; F77-M160 HydrophobicContact CD1-CE 4.38Å; L81-M160 HydrophobicContact CD1-CE 4.47Å; L81-M160 HydrophobicContact CD2-CG 3.99Å; V156-M160 HydrophobicContact CG1-CG 4.08Å; V156-M160 HydrophobicContact CG1-SD 3.67Å; V156-M160 WeakPolarHBondContact O-CG 3.21Å; V156-M160 PolarHBondContact O-N 2.83Å; R157-M160 PolarHBondContact O-N 3Å |
| 161 | L | 81.3 | Confident | 74.9 | Confident | 112 Ų | 112 | 89.4 Ų | 89.4 | 59% | 0.586 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -123.4 | 89.6 | 179.2 | -61 | 172.1 | 0 | 0 | 0 | 106.7 | R157 K158 E163 | R157-L161 PolarHBondContact O-N 3.11Å; K158-L161 CarbonylContact O-C 3.5Å; L161-E163 PolarHBondContact O-N 3.02Å |
| 162 | P | 65.8 | Low | 72.9 | Confident | 88 Ų | 88 | 93.9 Ų | 93.9 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | trans | -54.1 | 120.4 | 170.1 | 22 | -30.4 | 0 | 0 | 0 | 106.9 | K158 Q164 | K158-P162 WeakPolarHBondContact O-CA 3.27Å; P162-Q164 PolarHBondContact O-N 3.05Å; P162-Q164 VanDerWaalsContact O-N 3.16Å | ||
| 163 | E | 57.1 | Low | 71.2 | Confident | 154 Ų | 154 | 97.8 Ų | 97.8 | 72% | 0.72 | 50% | 0.5 | S | S | * | . | trans | -49.5 | 129 | 159.8 | -94.8 | 168.7 | -179.1 | 0 | 0 | 104.8 | L161 T165 | L161-E163 PolarHBondContact O-N 3.02Å; E163-T165 PolarHBondContact O-N 3.12Å | ||
| 164 | Q | 54.4 | Low | 69.4 | Low | 193 Ų | 193 | 102.2 Ų | 102.2 | 90% | 0.902 | 52% | 0.518 | S | S | * | . | trans | -57.8 | 94.2 | 165.5 | -67 | -177.1 | 59.7 | 0 | 0 | 103.6 | P162 E166 | P162-Q164 PolarHBondContact O-N 3.05Å; P162-Q164 VanDerWaalsContact O-N 3.16Å; Q164-E166 PolarHBondContact O-N 2.81Å | ||
| 165 | T | 54 | Low | 67.5 | Low | 115 Ų | 115 | 106.1 Ų | 106.1 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | trans | -59.7 | 100.9 | 171.5 | 47.4 | 0 | 0 | 0 | 0 | 102.3 | E163 P167 | E163-T165 PolarHBondContact O-N 3.12Å; T165-P167 WeakPolarHBondContact O-CD 3.4Å | ||
| 166 | E | 51.9 | Low | 65.7 | Low | 152 Ų | 152 | 107 Ų | 107 | 71% | 0.71 | 54% | 0.54 | S | S | * | . | trans | -38.8 | 118.3 | 159.9 | -90.8 | -70.8 | 138.2 | 0 | 0 | 104.6 | Q164 T168 | Q164-E166 PolarHBondContact O-N 2.81Å; E166-T168 PolarHBondContact O-N 3.48Å | ||
| 167 | P | 48.1 | Very low | 64 | Low | 52 Ų | 52 | 114.3 Ų | 114.3 | 34% | 0.338 | 57% | 0.574 | S | S | . | * | trans | -49.2 | 115.7 | -176 | 5.7 | -15.4 | 0 | 0 | 0 | 106.3 | T165 A169 Q171 | T165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-A169 PolarHBondContact O-N 3.38Å; P167-Q171 HydrophobicContact CB-CB 3.93Å; P167-Q171 VanDerWaalsContact CB-OE1 3.31Å | ||
| 168 | T | 55.7 | Low | 62.1 | Low | 84 Ų | 84 | 109.8 Ų | 109.8 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | trans | -47.8 | 141.1 | -175.3 | -60.2 | 0 | 0 | 0 | 0 | 107.6 | E166 Q170 Q171 | E166-T168 PolarHBondContact O-N 3.48Å; T168-Q170 HydrophobicContact CG2-CB 4.42Å; T168-Q170 HydrophobicContact CG2-CG 4.31Å; T168-Q170 CarbonylContact O-C 3.56Å; T168-Q170 PolarHBondContact O-N 2.91Å; T168-Q171 WeakPolarHBondContact O-CA 3.38Å; T168-Q171 WeakPolarHBondContact O-CB 3.34Å; T168-Q171 PolarHBondContact O-N 3.41Å | ||
| 169 | A | 55 | Low | 60 | Low | 73 Ų | 73 | 110.5 Ų | 110.5 | 60% | 0.603 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -46 | -27.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P167 W172 V173 | P167-A169 PolarHBondContact O-N 3.38Å; A169-W172 PolarHBondContact O-N 2.93Å; A169-V173 WeakPolarHBondContact O-CG2 3.45Å; A169-V173 PolarHBondContact O-N 2.88Å |
| 170 | Q | 59 | Low | 58 | Low | 159 Ų | 159 | 114.2 Ų | 114.2 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.6 | -40.6 | 170.8 | -59.3 | -174 | 3 | 0 | 0 | 114.5 | T168 Q174 | T168-Q170 HydrophobicContact CG2-CB 4.42Å; T168-Q170 HydrophobicContact CG2-CG 4.31Å; T168-Q170 CarbonylContact O-C 3.56Å; T168-Q170 PolarHBondContact O-N 2.91Å; Q170-Q174 PolarHBondContact O-N 3.45Å |
| 171 | Q | 53.3 | Low | 56.2 | Low | 120 Ų | 120 | 119.2 Ų | 119.2 | 56% | 0.561 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.8 | -38.2 | 173.7 | -69 | -176.9 | -1.5 | 0 | 0 | 112 | P167 T168 Q174 Q175 | P167-Q171 HydrophobicContact CB-CB 3.93Å; P167-Q171 VanDerWaalsContact CB-OE1 3.31Å; T168-Q171 WeakPolarHBondContact O-CA 3.38Å; T168-Q171 WeakPolarHBondContact O-CB 3.34Å; T168-Q171 PolarHBondContact O-N 3.41Å; Q171-Q174 PolarHBondContact O-N 3.32Å; Q171-Q175 PolarHBondContact O-N 2.8Å |
| 172 | W | 54.6 | Low | 54.3 | Low | 148 Ų | 148 | 120.3 Ų | 120.3 | 56% | 0.561 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -62.9 | -46.1 | 173.5 | -91.5 | 100.1 | 0 | 0 | 0 | 112.2 | A169 Q174 Q175 S176 | A169-W172 PolarHBondContact O-N 2.93Å; W172-Q174 PolarHBondContact O-N 2.95Å; W172-Q175 PolarHBondContact O-N 3.16Å; W172-Q175 VanDerWaalsContact O-N 3.13Å; W172-S176 WeakPolarHBondContact O-CB 3.29Å; W172-S176 PolarHBondContact O-N 2.88Å; W172-S176 PolarHBondContact O-OG 3.41Å |
| 173 | V | 62 | Low | 53.2 | Low | 83 Ų | 83 | 118.7 Ų | 118.7 | 50% | 0.503 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.3 | -32.1 | 178.2 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | A169 S176 Q177 | A169-V173 WeakPolarHBondContact O-CG2 3.45Å; A169-V173 PolarHBondContact O-N 2.88Å; V173-S176 PolarHBondContact O-OG 3.49Å; V173-Q177 WeakPolarHBondContact O-CG 3.48Å; V173-Q177 PolarHBondContact O-NE2 3Å |
| 174 | Q | 59.3 | Low | 52.5 | Low | 158 Ų | 158 | 122.2 Ų | 122.2 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.6 | -36.1 | 175.4 | -169 | 153.4 | 80.9 | 0 | 0 | 112.2 | Q170 Q171 W172 | Q170-Q174 PolarHBondContact O-N 3.45Å; Q171-Q174 PolarHBondContact O-N 3.32Å; W172-Q174 PolarHBondContact O-N 2.95Å |
| 175 | Q | 55.8 | Low | 51.5 | Low | 130 Ų | 130 | 120.7 Ų | 120.7 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77.1 | -36.1 | 178.8 | -163.4 | 166.9 | 49.5 | 0 | 0 | 112.6 | Q171 W172 Q177 S178 | Q171-Q175 PolarHBondContact O-N 2.8Å; W172-Q175 PolarHBondContact O-N 3.16Å; W172-Q175 VanDerWaalsContact O-N 3.13Å; Q175-Q177 PolarHBondContact O-N 2.94Å; Q175-S178 PolarHBondContact O-N 3.36Å; Q175-S178 PolarHBondContact O-OG 2.98Å |
| 176 | S | 55.6 | Low | 51 | Low | 67 Ų | 67 | 120.2 Ų | 120.2 | 47% | 0.469 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.6 | -23 | 177.7 | 66.5 | 0 | 0 | 0 | 0 | 113.3 | W172 V173 S178 | W172-S176 WeakPolarHBondContact O-CB 3.29Å; W172-S176 PolarHBondContact O-N 2.88Å; W172-S176 PolarHBondContact O-OG 3.41Å; V173-S176 PolarHBondContact O-OG 3.49Å; S176-S178 PolarHBondContact O-N 2.97Å |
| 177 | Q | 58.1 | Low | 50.4 | Low | 157 Ų | 157 | 118.6 Ų | 118.6 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -11.8 | 173.8 | -77.3 | -177.9 | 64.4 | 0 | 0 | 113.6 | V173 Q175 | V173-Q177 WeakPolarHBondContact O-CG 3.48Å; V173-Q177 PolarHBondContact O-NE2 3Å; Q175-Q177 PolarHBondContact O-N 2.94Å |
| 178 | S | 53.5 | Low | 50.2 | Low | 82 Ų | 82 | 122.3 Ų | 122.3 | 57% | 0.573 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 2.9 | 177 | 68.6 | 0 | 0 | 0 | 0 | 114.8 | Q175 S176 P180 | Q175-S178 PolarHBondContact O-N 3.36Å; Q175-S178 PolarHBondContact O-OG 2.98Å; S176-S178 PolarHBondContact O-N 2.97Å; S178-P180 VanDerWaalsContact O-CD 3.23Å; S178-P180 WeakPolarHBondContact O-CD 3.38Å |
| 179 | L | 47.5 | Very low | 49.3 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | trans | -80.1 | 114.3 | 171.7 | -81.8 | 94.7 | 0 | 0 | 0 | 110.3 | V181 | L179-V181 PolarHBondContact O-N 2.98Š| ||
| 180 | P | 48.9 | Very low | 48.3 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -70.1 | 114.8 | 173.5 | -7.4 | 25.1 | 0 | 0 | 0 | 107.8 | S178 P182 | S178-P180 VanDerWaalsContact O-CD 3.23Å; S178-P180 WeakPolarHBondContact O-CD 3.38Å; P180-P182 VanDerWaalsContact O-CD 3.29Å; P180-P182 WeakPolarHBondContact O-CD 3.44Å | ||
| 181 | V | 50 | Low | 47.6 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 78% | 0.782 | 70% | 0.7 | S | S | * | * | trans | -65.7 | 119.8 | 168.8 | -174 | 0 | 0 | 0 | 0 | 107.2 | L179 G183 | L179-V181 PolarHBondContact O-N 2.98Å; V181-G183 PolarHBondContact O-N 3.49Å | ||
| 182 | P | 40.7 | Very low | 46.6 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | trans | -77 | 80.6 | 175.9 | 31.4 | -30 | 0 | 0 | 0 | 107.5 | P180 | P180-P182 VanDerWaalsContact O-CD 3.29Å; P180-P182 WeakPolarHBondContact O-CD 3.44Å | ||
| 183 | G | 43.3 | Very low | 46 | Very low | 54 Ų | 54 | 133.7 Ų | 133.7 | 56% | 0.557 | 72% | 0.72 | S | S | * | * | trans | -135.1 | 87.9 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V181 | V181-G183 PolarHBondContact O-N 3.49Š| ||
| 184 | R | 41.5 | Very low | 44.9 | Very low | 229 Ų | 229 | 135.6 Ų | 135.6 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | 68.9 | 90.4 | 150 | -132.3 | 170.9 | -173.5 | 173.7 | 0.5 | 115.8 | V186 | R184-V186 PolarHBondContact O-N 2.81Š| ||
| 185 | N | 34.5 | Very low | 44.2 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -47.5 | 97.3 | 158.1 | -160.5 | 17.2 | 0 | 0 | 0 | 111.1 | ||||
| 186 | V | 43.7 | Very low | 43.2 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | -133.8 | 108.6 | 161.7 | -79.2 | 0 | 0 | 0 | 0 | 108.9 | R184 V188 | R184-V186 PolarHBondContact O-N 2.81Å; V186-V188 PolarHBondContact O-N 2.87Å | ||
| 187 | P | 38.7 | Very low | 42.3 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -75.5 | 91.9 | 179.5 | 29.8 | -32 | 0 | 0 | 0 | 108.9 | R189 | P187-R189 PolarHBondContact O-N 3.33Å; P187-R189 VanDerWaalsContact O-N 3.16Å | ||
| 188 | V | 42.9 | Very low | 41.8 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -80.5 | 100.2 | 169.3 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | V186 S190 | V186-V188 PolarHBondContact O-N 2.87Å; V188-S190 PolarHBondContact O-N 2.65Å | ||
| 189 | R | 37 | Very low | 41.5 | Very low | 222 Ų | 222 | 142.2 Ų | 142.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -49.3 | 131.8 | 172.8 | -83.1 | 177.1 | 169.7 | 177 | -3.5 | 110.4 | P187 I191 | P187-R189 PolarHBondContact O-N 3.33Å; P187-R189 VanDerWaalsContact O-N 3.16Å; R189-I191 PolarHBondContact O-N 2.81Å | ||
| 190 | S | 35 | Very low | 41.7 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -57 | 97.3 | 171.6 | 40.5 | 0 | 0 | 0 | 0 | 111.7 | V188 | V188-S190 PolarHBondContact O-N 2.65Š| ||
| 191 | I | 43.2 | Very low | 41.6 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -117.5 | 95.9 | 158.1 | -56.3 | -178.9 | 0 | 0 | 0 | 105.9 | R189 P193 | R189-I191 PolarHBondContact O-N 2.81Å; I191-P193 VanDerWaalsContact O-CD 3.28Å; I191-P193 WeakPolarHBondContact O-CD 3.49Å | ||
| 192 | R | 32 | Very low | 41.4 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -86.5 | 118.7 | 165.1 | -69.2 | -176.8 | 175 | -152.3 | -0.6 | 107.8 | ||||
| 193 | P | 42.7 | Very low | 41.4 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 62% | 0.623 | 79% | 0.791 | S | S | * | * | trans | -112.1 | 140.9 | 147 | 29.7 | -17.7 | 0 | 0 | 0 | 109.5 | I191 L195 | I191-P193 VanDerWaalsContact O-CD 3.28Å; I191-P193 WeakPolarHBondContact O-CD 3.49Å; P193-L195 PolarHBondContact O-N 3.47Å | ||
| 194 | P | 38.6 | Very low | 41.4 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -83.7 | 112.2 | -175 | 32.7 | -29.5 | 0 | 0 | 0 | 109.5 | ||||
| 195 | L | 44.5 | Very low | 41.3 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -122.8 | 96.1 | 164.8 | -76.6 | 172.4 | 0 | 0 | 0 | 110 | P193 G197 | P193-L195 PolarHBondContact O-N 3.47Å; L195-G197 PolarHBondContact O-N 3.4Å | ||
| 196 | R | 34.8 | Very low | 41.7 | Very low | 257 Ų | 257 | 144.8 Ų | 144.8 | 97% | 0.97 | 80% | 0.795 | S | S | * | * | trans | -53.4 | 102.7 | 161.4 | -173.4 | -173.6 | -168.6 | -164.7 | 3.6 | 109 | ||||
| 197 | G | 38.4 | Very low | 41.5 | Very low | 60 Ų | 60 | 145.6 Ų | 145.6 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | trans | -145.9 | 130.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L195 | L195-G197 PolarHBondContact O-N 3.4Š| ||
| 198 | P | 47.5 | Very low | 41.8 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 152.2 | -173.7 | 30.2 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 199 | P | 46.2 | Very low | 41.9 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 134.8 | -176.4 | 27.8 | -33.5 | 0 | 0 | 0 | 110.9 | ||
| 200 | P | 51.4 | Low | 42.4 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 153.5 | 172.1 | 29.4 | -32.2 | 0 | 0 | 0 | 110.8 | ||
| 201 | P | 46.1 | Very low | 42.9 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 140.3 | -167.7 | 27.1 | -33.9 | 0 | 0 | 0 | 112.6 | Q203 | P201-Q203 PolarHBondContact O-N 2.56Š|
| 202 | L | 47 | Very low | 42.7 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | trans | -45.5 | 104.7 | 171.5 | -66 | 159.5 | 0 | 0 | 0 | 110.4 | ||||
| 203 | Q | 39.6 | Very low | 43 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 134.7 | 167.3 | -75.7 | -174.8 | 33.9 | 0 | 0 | 109.3 | P201 | P201-Q203 PolarHBondContact O-N 2.56Š|
| 204 | A | 43.5 | Very low | 42.8 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 162.9 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 205 | P | 39.9 | Very low | 42.7 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 134.3 | -170.2 | -9.3 | 26.2 | 0 | 0 | 0 | 111.9 | ||
| 206 | F | 43 | Very low | 42.3 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 132.3 | 167.1 | -73.9 | -85.8 | 0 | 0 | 0 | 110.2 | A208 | F206-A208 PolarHBondContact O-N 3.48Š|
| 207 | P | 40.1 | Very low | 42.4 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 120.5 | 176.5 | 28.8 | -31.5 | 0 | 0 | 0 | 110.4 | ||
| 208 | A | 43.7 | Very low | 42.5 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 135.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F206 | F206-A208 PolarHBondContact O-N 3.48Š|
| 209 | P | 46 | Very low | 42 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 154.7 | -176.1 | 29.9 | -34 | 0 | 0 | 0 | 112.8 | V211 | P209-V211 PolarHBondContact O-N 3Š|
| 210 | P | 47.5 | Very low | 41.6 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 118.8 | -175.7 | 28.5 | -33.2 | 0 | 0 | 0 | 111.7 | Q212 | P210-Q212 PolarHBondContact O-N 3.49Š|
| 211 | V | 44.9 | Very low | 41 | Very low | 130 Ų | 130 | 145 Ų | 145 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -80.4 | 99.2 | 169.9 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | P209 L213 | P209-V211 PolarHBondContact O-N 3Å; V211-L213 PolarHBondContact O-N 3.04Å | ||
| 212 | Q | 38.5 | Very low | 40.4 | Very low | 173 Ų | 173 | 151.8 Ų | 151.8 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -78.1 | 105.4 | 172.2 | -63 | -175.8 | 7.8 | 0 | 0 | 109.1 | P210 | P210-Q212 PolarHBondContact O-N 3.49Š| ||
| 213 | L | 38.5 | Very low | 40.1 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -78.7 | 122.1 | 173.4 | -75.3 | 161.3 | 0 | 0 | 0 | 109.6 | V211 F215 | V211-L213 PolarHBondContact O-N 3.04Å; L213-F215 PolarHBondContact O-N 3.02Å | ||
| 214 | P | 39.9 | Very low | 40 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -76.6 | 115 | 179.8 | 28.8 | -30.9 | 0 | 0 | 0 | 110.7 | R216 | P214-R216 PolarHBondContact O-N 3.42Š| ||
| 215 | F | 36.6 | Very low | 39.7 | Very low | 206 Ų | 206 | 152.7 Ų | 152.7 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -63 | 96.3 | 170.2 | -164.8 | -99.5 | 0 | 0 | 0 | 110.1 | L213 | L213-F215 PolarHBondContact O-N 3.02Š| ||
| 216 | R | 35.2 | Very low | 39.5 | Very low | 244 Ų | 244 | 150.6 Ų | 150.6 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -99.6 | 82.9 | 169.7 | -109 | -171 | -179.5 | -177.2 | 2.4 | 109.8 | P214 R218 | P214-R216 PolarHBondContact O-N 3.42Å; R216-R218 PolarHBondContact O-N 3.34Å | ||
| 217 | G | 38.1 | Very low | 39.2 | Very low | 65 Ų | 65 | 147.6 Ų | 147.6 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | -66.8 | 105.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | G219 | G217-G219 PolarHBondContact O-N 3.04Š| ||
| 218 | R | 38.5 | Very low | 39.3 | Very low | 238 Ų | 238 | 144.8 Ų | 144.8 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -95.3 | 72.7 | 175.3 | -149 | -173.3 | -162.5 | -143.2 | 5.2 | 109.2 | R216 K220 | R216-R218 PolarHBondContact O-N 3.34Å; R218-K220 PolarHBondContact O-N 2.95Å | ||
| 219 | G | 37.9 | Very low | 39.6 | Very low | 75 Ų | 75 | 150.1 Ų | 150.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 117.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G217 | G217-G219 PolarHBondContact O-N 3.04Š|
| 220 | K | 37.1 | Very low | 39.6 | Very low | 189 Ų | 189 | 151.5 Ų | 151.5 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 132.9 | 176.2 | -72.4 | 164.3 | 172.9 | 175.5 | 0 | 109.4 | R218 | R218-K220 PolarHBondContact O-N 2.95Š|
| 221 | P | 38.7 | Very low | 39.4 | Very low | 119 Ų | 119 | 150 Ų | 150 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 135.2 | -179.2 | 31.9 | -31.6 | 0 | 0 | 0 | 110.7 | I223 | P221-I223 PolarHBondContact O-N 3.4Š|
| 222 | W | 35 | Very low | 39.1 | Very low | 259 Ų | 259 | 149.3 Ų | 149.3 | 98% | 0.981 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66 | 121.2 | 173.7 | -159.9 | -52.8 | 0 | 0 | 0 | 109 | G224 | W222-G224 PolarHBondContact O-N 3.16Š|
| 223 | I | 39.6 | Very low | 39.3 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 123.2 | -179.4 | -67.1 | 176.1 | 0 | 0 | 0 | 109.4 | P221 | P221-I223 PolarHBondContact O-N 3.4Š|
| 224 | G | 37.1 | Very low | 39.5 | Very low | 68 Ų | 68 | 144 Ų | 144 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | W222 | W222-G224 PolarHBondContact O-N 3.16Š|
| 225 | R | 37.1 | Very low | 39.7 | Very low | 247 Ų | 247 | 146.4 Ų | 146.4 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61 | 132.6 | 163.4 | -87.3 | -177.3 | -175.6 | -109.5 | 1.2 | 109.1 | ||
| 226 | G | 35.6 | Very low | 39.9 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 132.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 227 | V | 36.9 | Very low | 40.2 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 123.3 | 167.3 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | ||
| 228 | A | 42 | Very low | 40.7 | Very low | 65 Ų | 65 | 138.6 Ų | 138.6 | 54% | 0.537 | 79% | 0.788 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 134.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | N230 | A228-N230 PolarHBondContact O-N 3.29Š|
| 229 | K | 50.3 | Low | 40.7 | Very low | 207 Ų | 207 | 132.9 Ų | 132.9 | 90% | 0.9 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -2.6 | -170.6 | -74.1 | -177.4 | 173.4 | 179.1 | 0 | 115.8 | ||
| 230 | N | 46.9 | Very low | 40.7 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 17.3 | -170.6 | -62.3 | 7.8 | 0 | 0 | 0 | 114.6 | A228 V232 | A228-N230 PolarHBondContact O-N 3.29Å; N230-V232 PolarHBondContact O-N 3.4Å |
| 231 | G | 43.4 | Very low | 40.7 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 65.5 | 6.4 | 166 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 232 | V | 39 | Very low | 40.8 | Very low | 115 Ų | 115 | 128 Ų | 128 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | trans | -112.2 | 122.3 | 178.7 | -175 | 0 | 0 | 0 | 0 | 109.6 | N230 V234 | N230-V232 PolarHBondContact O-N 3.4Å; V232-V234 PolarHBondContact O-N 2.98Å | ||
| 233 | A | 41.1 | Very low | 40.8 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | trans | -63.6 | 119.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q235 | A233-Q235 PolarHBondContact O-N 3.18Š| ||
| 234 | V | 42.5 | Very low | 40.8 | Very low | 133 Ų | 133 | 124 Ų | 124 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -71.3 | 94.8 | 172.1 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | V232 | V232-V234 PolarHBondContact O-N 2.98Š| ||
| 235 | Q | 44.5 | Very low | 41.1 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 125.5 | 169.2 | -69.7 | -124.1 | 32.8 | 0 | 0 | 108.3 | A233 | A233-Q235 PolarHBondContact O-N 3.18Š|
| 236 | P | 41.4 | Very low | 41.2 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64 | 142.9 | 171 | 26.4 | -31.4 | 0 | 0 | 0 | 109.7 | V238 | P236-V238 PolarHBondContact O-N 3.34Š|
| 237 | P | 40.8 | Very low | 41.8 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 124.2 | 180 | 26.5 | -32.5 | 0 | 0 | 0 | 110 | P239 | P237-P239 VanDerWaalsContact O-CD 3.31Å; P237-P239 WeakPolarHBondContact O-CD 3.42Å |
| 238 | V | 48.7 | Very low | 42.3 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 118.1 | 174.9 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | P236 | P236-V238 PolarHBondContact O-N 3.34Š|
| 239 | P | 38.2 | Very low | 42.7 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 138.8 | 171 | -15.4 | 31.1 | 0 | 0 | 0 | 110.2 | P237 | P237-P239 VanDerWaalsContact O-CD 3.31Å; P237-P239 WeakPolarHBondContact O-CD 3.42Å |
| 240 | G | 38.2 | Very low | 42.8 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 137.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S242 | G240-S242 PolarHBondContact O-N 2.92Š|
| 241 | A | 36.7 | Very low | 43 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 93% | 0.934 | 78% | 0.778 | S | S | * | * | trans | -57.2 | 111.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 242 | S | 41.4 | Very low | 43.6 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -132.5 | 99.2 | 160.6 | 37.6 | 0 | 0 | 0 | 0 | 108.2 | G240 V244 | G240-S242 PolarHBondContact O-N 2.92Å; S242-V244 PolarHBondContact O-N 3.37Å | ||
| 243 | E | 34.8 | Very low | 44.5 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | 51.4 | 66.3 | 142.6 | -55.7 | -177.9 | -175.4 | 0 | 0 | 117.2 | F245 | E243-F245 PolarHBondContact O-N 3.31Š| ||
| 244 | V | 39.3 | Very low | 45.1 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | -84.9 | 110.8 | 161.6 | -176.6 | 0 | 0 | 0 | 0 | 108 | S242 A246 | S242-V244 PolarHBondContact O-N 3.37Å; V244-A246 PolarHBondContact O-N 3.13Å | ||
| 245 | F | 43.3 | Very low | 45.8 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -33.7 | 116 | 175.8 | -81.3 | -104.4 | 0 | 0 | 0 | 113.1 | E243 N247 | E243-F245 PolarHBondContact O-N 3.31Å; F245-N247 PolarHBondContact O-N 3.26Å | ||
| 246 | A | 40.4 | Very low | 46.5 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -70.6 | 74.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V244 E248 | V244-A246 PolarHBondContact O-N 3.13Å; A246-E248 PolarHBondContact O-N 3.45Å | ||
| 247 | N | 48.7 | Very low | 47.1 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | trans | -72.9 | 119.3 | 161.2 | -79.4 | -11.5 | 0 | 0 | 0 | 106.8 | F245 V249 | F245-N247 PolarHBondContact O-N 3.26Å; N247-V249 VanDerWaalsContact C-N 3.33Å; N247-V249 WeakPolarHBondContact O-CG2 3.41Å; N247-V249 PolarHBondContact O-N 3.16Å | ||
| 248 | E | 46.1 | Very low | 48.1 | Very low | 183 Ų | 183 | 129.8 Ų | 129.8 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -53 | 94 | 175.7 | -63 | -178.6 | 168.1 | 0 | 0 | 109.8 | A246 N250 | A246-E248 PolarHBondContact O-N 3.45Å; E248-N250 VanDerWaalsContact C-N 3.29Å; E248-N250 PolarHBondContact O-N 2.73Å | ||
| 249 | V | 50.5 | Low | 47.8 | Very low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | trans | -72 | 92.9 | 175 | 179.5 | 0 | 0 | 0 | 0 | 106.1 | N247 T251 | N247-V249 VanDerWaalsContact C-N 3.33Å; N247-V249 WeakPolarHBondContact O-CG2 3.41Å; N247-V249 PolarHBondContact O-N 3.16Å; V249-T251 PolarHBondContact O-N 3.4Å | ||
| 250 | N | 51.7 | Low | 48.4 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -57.1 | 106.1 | 160.9 | -99.2 | -58.4 | 0 | 0 | 0 | 107 | E248 V252 | E248-N250 VanDerWaalsContact C-N 3.29Å; E248-N250 PolarHBondContact O-N 2.73Å; N250-V252 VanDerWaalsContact C-N 3.34Å; N250-V252 PolarHBondContact O-N 3.02Å | ||
| 251 | T | 51.5 | Low | 49 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | -63.1 | 96.6 | 176.6 | -35.5 | 0 | 0 | 0 | 0 | 107.7 | V249 A253 | V249-T251 PolarHBondContact O-N 3.4Å; T251-A253 PolarHBondContact O-N 2.95Å | ||
| 252 | V | 57.3 | Low | 49.7 | Very low | 104 Ų | 104 | 143 Ų | 143 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | trans | -65.3 | 107.8 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 106.7 | N250 Y254 | N250-V252 VanDerWaalsContact C-N 3.34Å; N250-V252 PolarHBondContact O-N 3.02Å; V252-Y254 WeakPolarHBondContact O-CD2 3.48Å; V252-Y254 PolarHBondContact O-N 3.38Å | ||
| 253 | A | 56.4 | Low | 50.3 | Low | 93 Ų | 93 | 143.3 Ų | 143.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -67.8 | 101.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | T251 | T251-A253 PolarHBondContact O-N 2.95Š| ||
| 254 | Y | 53.6 | Low | 50.9 | Low | 193 Ų | 193 | 141.4 Ų | 141.4 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 137.6 | 169.1 | -69.9 | -83.7 | 0 | 0 | 0 | 108.7 | V252 | V252-Y254 WeakPolarHBondContact O-CD2 3.48Å; V252-Y254 PolarHBondContact O-N 3.38Å |
| 255 | P | 59 | Low | 51.4 | Low | 103 Ų | 103 | 144.3 Ų | 144.3 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142.4 | 168.9 | 25.4 | -32.6 | 0 | 0 | 0 | 108.5 | I257 | P255-I257 PolarHBondContact O-N 3.44Š|
| 256 | P | 57.3 | Low | 51.7 | Low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 118.8 | 179.9 | 22.2 | -31.4 | 0 | 0 | 0 | 108.8 | T258 | P256-T258 PolarHBondContact O-N 3.48Å; P256-T258 VanDerWaalsContact O-N 3.12Å |
| 257 | I | 54.6 | Low | 52.3 | Low | 145 Ų | 145 | 140.5 Ų | 140.5 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -66.1 | 112.5 | 167.6 | -60.1 | 169.3 | 0 | 0 | 0 | 104.5 | P255 L259 | P255-I257 PolarHBondContact O-N 3.44Å; I257-L259 PolarHBondContact O-N 3.24Å | ||
| 258 | T | 61.9 | Low | 52.5 | Low | 115 Ų | 115 | 139.7 Ų | 139.7 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -61 | 94.8 | 165 | 38.3 | 0 | 0 | 0 | 0 | 107 | P256 Y260 | P256-T258 PolarHBondContact O-N 3.48Å; P256-T258 VanDerWaalsContact O-N 3.12Å; T258-Y260 PolarHBondContact O-N 2.84Å | ||
| 259 | L | 42.9 | Very low | 52.7 | Low | 156 Ų | 156 | 135.2 Ų | 135.2 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | trans | -63.7 | 107 | 166.4 | -79.5 | 176.9 | 0 | 0 | 0 | 105.9 | I257 E261 | I257-L259 PolarHBondContact O-N 3.24Å; L259-E261 PolarHBondContact O-N 2.93Å | ||
| 260 | Y | 51.3 | Low | 52.6 | Low | 200 Ų | 200 | 135.6 Ų | 135.6 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | trans | -54 | 115.9 | 166.9 | -78.3 | -90.7 | 0 | 0 | 0 | 107.1 | T258 Q262 | T258-Y260 PolarHBondContact O-N 2.84Å; Y260-Q262 PolarHBondContact O-N 2.99Å; Y260-Q262 VanDerWaalsContact O-N 3.1Å | ||
| 261 | E | 50.9 | Low | 52.6 | Low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | trans | -57 | 118.4 | 173.6 | -161.1 | 172.9 | -165.4 | 0 | 0 | 106.6 | L259 T263 | L259-E261 PolarHBondContact O-N 2.93Å; E261-T263 HydrophobicContact CG-CG2 4.38Å; E261-T263 PolarHBondContact O-N 3.29Å; E261-T263 PolarHBondContact O-OG1 2.93Å | ||
| 262 | Q | 50.5 | Low | 52.5 | Low | 187 Ų | 187 | 133.4 Ų | 133.4 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | trans | -74.3 | 56.8 | -169.9 | -158 | 174.4 | 12.3 | 0 | 0 | 109.8 | Y260 D264 | Y260-Q262 PolarHBondContact O-N 2.99Å; Y260-Q262 VanDerWaalsContact O-N 3.1Å; Q262-D264 PolarHBondContact O-N 3.21Å | ||
| 263 | T | 53.3 | Low | 52.1 | Low | 104 Ų | 104 | 134.9 Ų | 134.9 | 64% | 0.638 | 70% | 0.696 | S | S | * | * | trans | -79 | 112.3 | 175.5 | 40.4 | 0 | 0 | 0 | 0 | 107.1 | E261 | E261-T263 HydrophobicContact CG-CG2 4.38Å; E261-T263 PolarHBondContact O-N 3.29Å; E261-T263 PolarHBondContact O-OG1 2.93Å | ||
| 264 | D | 48.7 | Very low | 51.9 | Low | 147 Ų | 147 | 131.5 Ų | 131.5 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | trans | 40.1 | 100.5 | 168.5 | -56.9 | -33.2 | 0 | 0 | 0 | 115.3 | Q262 N266 | Q262-D264 PolarHBondContact O-N 3.21Å; D264-N266 PolarHBondContact O-N 3.25Å | ||
| 265 | F | 48.8 | Very low | 51.9 | Low | 205 Ų | 205 | 126.4 Ų | 126.4 | 90% | 0.899 | 66% | 0.659 | S | S | * | * | trans | -55.9 | 79.3 | 173.4 | -155.6 | -90.5 | 0 | 0 | 0 | 110.7 | ||||
| 266 | N | 49.8 | Very low | 51.5 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | trans | -92.3 | 108.5 | 178.9 | -167.4 | 8.9 | 0 | 0 | 0 | 107 | D264 H268 V269 | D264-N266 PolarHBondContact O-N 3.25Å; N266-H268 PolarHBondContact O-N 3.28Å; N266-V269 PolarHBondContact O-N 3.43Å | ||
| 267 | S | 53.7 | Low | 50.9 | Low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -15.5 | -174.9 | 55.1 | 0 | 0 | 0 | 0 | 114 | V269 | S267-V269 PolarHBondContact O-N 3.02Š|
| 268 | H | 52.3 | Low | 50.7 | Low | 110 Ų | 110 | 123.1 Ų | 123.1 | 51% | 0.509 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -20.6 | -178.9 | -134.7 | -61.3 | 0 | 0 | 0 | 114.5 | N266 F270 E271 | N266-H268 PolarHBondContact O-N 3.28Å; H268-F270 VanDerWaalsContact C-N 3.27Å; H268-F270 PolarHBondContact O-N 3.16Å; H268-E271 IonicContact CE1-OE2 2.81Å; H268-E271 PolarHBondContact CE1-OE2 3.05Å; H268-E271 IonicContact ND1-OE2 2.87Å; H268-E271 PolarHBondContact O-N 3.37Å |
| 269 | V | 51.4 | Low | 50 | Low | 89 Ų | 89 | 125.5 Ų | 125.5 | 54% | 0.539 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.3 | -24.1 | -178 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | N266 S267 E271 D272 F273 | N266-V269 PolarHBondContact O-N 3.43Å; S267-V269 PolarHBondContact O-N 3.02Å; V269-E271 VanDerWaalsContact C-N 3.35Å; V269-D272 PolarHBondContact O-N 3.44Å; V269-F273 PolarHBondContact O-N 3.39Å |
| 270 | F | 46.9 | Very low | 50.2 | Low | 133 Ų | 133 | 123.4 Ų | 123.4 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.2 | -26 | 178.6 | -168.2 | -107.8 | 0 | 0 | 0 | 112.8 | Y147 H268 G274 | Y147-F270 HydrophobicContact CD2-CE1 4.02Å; Y147-F270 HydrophobicContact CD2-CE2 4.47Å; Y147-F270 AromaticContact CD2-CZ 3.47Å; Y147-F270 HydrophobicContact CD2-CZ 3.47Å; Y147-F270 VanDerWaalsContact CD2-CZ 3.47Å; Y147-F270 HydrophobicContact CE2-CD1 4.41Å; Y147-F270 AromaticContact CE2-CE1 3.26Å; Y147-F270 HydrophobicContact CE2-CE1 3.26Å; Y147-F270 HydrophobicContact CE2-CE2 4.33Å; Y147-F270 AromaticContact CE2-CZ 3.19Å; Y147-F270 HydrophobicContact CE2-CZ 3.19Å; H268-F270 VanDerWaalsContact C-N 3.27Å; H268-F270 PolarHBondContact O-N 3.16Å; F270-G274 PolarHBondContact O-N 2.94Å |
| 271 | E | 52.1 | Low | 50 | Low | 121 Ų | 121 | 121.1 Ų | 121.1 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.7 | -40.4 | 172.3 | -66.6 | -160.9 | 155.4 | 0 | 0 | 111 | H268 V269 G274 T275 | H268-E271 IonicContact CE1-OE2 2.81Å; H268-E271 PolarHBondContact CE1-OE2 3.05Å; H268-E271 IonicContact ND1-OE2 2.87Å; H268-E271 PolarHBondContact O-N 3.37Å; V269-E271 VanDerWaalsContact C-N 3.35Å; E271-G274 PolarHBondContact O-N 2.94Å; E271-T275 WeakPolarHBondContact O-CG2 3.3Å; E271-T275 PolarHBondContact O-N 3.49Å; E271-T275 VanDerWaalsContact O-N 3.16Å; E271-T275 PolarHBondContact O-OG1 2.87Å |
| 272 | D | 50.7 | Low | 49.7 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.4 | -30.3 | -178.7 | -77.9 | -19.4 | 0 | 0 | 0 | 114 | V269 G274 T275 | V269-D272 PolarHBondContact O-N 3.44Å; D272-G274 VanDerWaalsContact C-N 3.31Å; D272-T275 WeakPolarHBondContact CA-OG1 3.4Å; D272-T275 PolarHBondContact O-OG1 3.44Å; D272-T275 VanDerWaalsContact O-OG1 3.13Å |
| 273 | F | 47.5 | Very low | 49.2 | Very low | 134 Ų | 134 | 119.7 Ų | 119.7 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.9 | -29.7 | 175.4 | -120.5 | -85.4 | 0 | 0 | 0 | 112.2 | V269 | V269-F273 PolarHBondContact O-N 3.39Å |
| 274 | G | 52.3 | Low | 48.5 | Very low | 23 Ų | 23 | 118.2 Ų | 118.2 | 24% | 0.237 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -81.1 | -29.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F270 E271 D272 | F270-G274 PolarHBondContact O-N 2.94Å; E271-G274 PolarHBondContact O-N 2.94Å; D272-G274 VanDerWaalsContact C-N 3.31Å |
| 275 | T | 53.9 | Low | 47.8 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.3 | -37 | -176.8 | 45.6 | 0 | 0 | 0 | 0 | 112.8 | E271 D272 | E271-T275 WeakPolarHBondContact O-CG2 3.3Å; E271-T275 PolarHBondContact O-N 3.49Å; E271-T275 VanDerWaalsContact O-N 3.16Å; E271-T275 PolarHBondContact O-OG1 2.87Å; D272-T275 WeakPolarHBondContact CA-OG1 3.4Å; D272-T275 PolarHBondContact O-OG1 3.44Å; D272-T275 VanDerWaalsContact O-OG1 3.13Å |
| 276 | N | 50.1 | Low | 47.1 | Very low | 134 Ų | 134 | 116 Ų | 116 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -93.6 | -21.5 | -174.8 | -70.3 | 11.9 | 0 | 0 | 0 | 114 | ||
| 277 | Y | 45.8 | Very low | 46.4 | Very low | 160 Ų | 160 | 115.9 Ų | 115.9 | 63% | 0.627 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 102.7 | 178.1 | -113.5 | -94.5 | 0 | 0 | 0 | 110.7 | E144 | E144-Y277 WeakPolarHBondContact OE1-CD1 3.27Š|
| 278 | G | 50.1 | Low | 45.5 | Very low | 10 Ų | 10 | 118.2 Ų | 118.2 | 10% | 0.103 | 62% | 0.615 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 117.1 | 17.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K97 D280 | K97-G278 VanDerWaalsContact NZ-C 3.32Å; K97-G278 PolarHBondContact NZ-O 2.94Å; G278-D280 VanDerWaalsContact CA-OD1 3.29Å; G278-D280 WeakPolarHBondContact CA-OD1 3.45Å |
| 279 | Q | 47.7 | Very low | 44.7 | Very low | 164 Ų | 164 | 118.3 Ų | 118.3 | 77% | 0.766 | 63% | 0.626 | S | S | * | * | trans | -77.6 | -4.9 | 165.9 | -151.5 | -165.8 | 32.9 | 0 | 0 | 112 | D281 | Q279-D281 PolarHBondContact O-N 3.02Š| ||
| 280 | D | 46.3 | Very low | 43.8 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 60% | 0.599 | 64% | 0.636 | S | S | * | * | trans | -72.3 | 95.7 | 170.2 | 62.2 | -48.8 | 0 | 0 | 0 | 108.7 | G278 T282 | G278-D280 VanDerWaalsContact CA-OD1 3.29Å; G278-D280 WeakPolarHBondContact CA-OD1 3.45Å; D280-T282 WeakPolarHBondContact CB-OG1 3.44Å; D280-T282 PolarHBondContact O-N 2.99Å; D280-T282 PolarHBondContact O-OG1 3.13Å; D280-T282 PolarHBondContact OD2-OG1 3.06Å | ||
| 281 | D | 48.2 | Very low | 43.3 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | trans | -60.7 | 30.4 | 168.7 | -76.4 | -44.2 | 0 | 0 | 0 | 112.9 | Q279 W283 | Q279-D281 PolarHBondContact O-N 3.02Å; D281-W283 PolarHBondContact O-N 2.9Å | ||
| 282 | T | 43.7 | Very low | 42.6 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 55% | 0.546 | 66% | 0.662 | S | S | . | * | trans | -74.8 | 46 | 175.8 | -3.6 | 0 | 0 | 0 | 0 | 111 | D280 G284 | D280-T282 WeakPolarHBondContact CB-OG1 3.44Å; D280-T282 PolarHBondContact O-N 2.99Å; D280-T282 PolarHBondContact O-OG1 3.13Å; D280-T282 PolarHBondContact OD2-OG1 3.06Å; T282-G284 PolarHBondContact O-N 2.93Å | ||
| 283 | W | 39.9 | Very low | 41.8 | Very low | 236 Ų | 236 | 125 Ų | 125 | 89% | 0.894 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -73.1 | 110.8 | 166.6 | -119 | 90.1 | 0 | 0 | 0 | 108.7 | D281 K285 | D281-W283 PolarHBondContact O-N 2.9Å; W283-K285 PolarHBondContact O-N 2.86Å |
| 284 | G | 39.4 | Very low | 41.5 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 71.4 | -2.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | T282 V286 | T282-G284 PolarHBondContact O-N 2.93Å; G284-V286 PolarHBondContact O-N 3.14Å |
| 285 | K | 32.4 | Very low | 40.9 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 78% | 0.778 | 72% | 0.715 | S | S | * | * | trans | -89.4 | 91.9 | 170.7 | -74.5 | -174.7 | 178.1 | 174.6 | 0 | 110.1 | W283 S287 | W283-K285 PolarHBondContact O-N 2.86Å; K285-S287 PolarHBondContact O-N 3.13Å; K285-S287 VanDerWaalsContact O-N 3.07Å | ||
| 286 | V | 35.6 | Very low | 40.4 | Very low | 126 Ų | 126 | 140 Ų | 140 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | -67.2 | 101.5 | 164.1 | -175.9 | 0 | 0 | 0 | 0 | 107 | G284 I288 | G284-V286 PolarHBondContact O-N 3.14Å; V286-I288 PolarHBondContact O-N 3.43Å; V286-I288 VanDerWaalsContact O-N 3.13Å | ||
| 287 | S | 34.8 | Very low | 40 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | -67.4 | 106.1 | 160.1 | 41.2 | 0 | 0 | 0 | 0 | 106.6 | K285 P289 | K285-S287 PolarHBondContact O-N 3.13Å; K285-S287 VanDerWaalsContact O-N 3.07Å; S287-P289 WeakPolarHBondContact O-CD 3.31Å; S287-P289 VanDerWaalsContact O-N 3.16Å | ||
| 288 | I | 35.5 | Very low | 39.8 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | -63.3 | 111.3 | 173 | -61.3 | 164.3 | 0 | 0 | 0 | 106 | V286 E290 | V286-I288 PolarHBondContact O-N 3.43Å; V286-I288 VanDerWaalsContact O-N 3.13Å; I288-E290 PolarHBondContact O-N 3.12Å | ||
| 289 | P | 35.1 | Very low | 39.9 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -72.6 | 118 | 170.7 | -4.5 | 23.4 | 0 | 0 | 0 | 106 | S287 | S287-P289 WeakPolarHBondContact O-CD 3.31Å; S287-P289 VanDerWaalsContact O-N 3.16Å | ||
| 290 | E | 30.9 | Very low | 39.8 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -53.4 | 135.9 | 170.1 | -83.4 | 163.5 | 144.4 | 0 | 0 | 109.9 | I288 R292 | I288-E290 PolarHBondContact O-N 3.12Å; E290-R292 PolarHBondContact O-N 2.78Å | ||
| 291 | P | 37.2 | Very low | 39.6 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -74 | 86.3 | -169.1 | 29.7 | -34.8 | 0 | 0 | 0 | 110.4 | G293 | P291-G293 PolarHBondContact O-N 2.9Š| ||
| 292 | R | 37 | Very low | 39.2 | Very low | 231 Ų | 231 | 145.7 Ų | 145.7 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -82.5 | 97.5 | 158.9 | -75.3 | -167.5 | 174.7 | 102.3 | -0 | 108.3 | E290 R294 | E290-R292 PolarHBondContact O-N 2.78Å; R292-R294 PolarHBondContact O-N 3.31Å | ||
| 293 | G | 34.8 | Very low | 39.3 | Very low | 70 Ų | 70 | 147.3 Ų | 147.3 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -53.3 | 129.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P291 | P291-G293 PolarHBondContact O-N 2.9Š| ||
| 294 | R | 40.7 | Very low | 39.5 | Very low | 234 Ų | 234 | 139.1 Ų | 139.1 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -145 | 104.4 | 139.8 | -72.6 | -152.2 | -173.4 | -124.4 | 5.8 | 107.1 | R292 R296 | R292-R294 PolarHBondContact O-N 3.31Å; R294-R296 PolarHBondContact O-N 2.92Å | ||
| 295 | G | 39.2 | Very low | 39.7 | Very low | 85 Ų | 85 | 143 Ų | 143 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -59.5 | 108.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | G297 | G295-G297 PolarHBondContact O-N 2.93Š| ||
| 296 | R | 43.7 | Very low | 40.1 | Very low | 237 Ų | 237 | 140.7 Ų | 140.7 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -85.4 | 101.3 | 161.6 | -73.3 | -168.2 | -176.7 | -134 | 4 | 106.1 | R294 H298 | R294-R296 PolarHBondContact O-N 2.92Å; R296-H298 PolarHBondContact O-N 2.95Å | ||
| 297 | G | 42.1 | Very low | 40.2 | Very low | 71 Ų | 71 | 140.8 Ų | 140.8 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -54.9 | 130.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.6 | G295 | G295-G297 PolarHBondContact O-N 2.93Š| ||
| 298 | H | 42.2 | Very low | 40.7 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | -67.5 | 141 | 172.2 | -106.2 | -83.6 | 0 | 0 | 0 | 109.4 | R296 Y300 A301 | R296-H298 PolarHBondContact O-N 2.95Å; H298-Y300 PolarHBondContact O-N 3.16Å; H298-A301 PolarHBondContact O-N 3.38Å; H298-A301 VanDerWaalsContact O-N 3.13Å | ||
| 299 | P | 51.8 | Low | 40.9 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 1.8 | -177.3 | 26.2 | -34.3 | 0 | 0 | 0 | 114.8 | ||
| 300 | Y | 45 | Very low | 41 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 10.2 | 177.9 | -58.2 | -72 | 0 | 0 | 0 | 113.7 | H298 R302 | H298-Y300 PolarHBondContact O-N 3.16Å; Y300-R302 PolarHBondContact O-N 2.86Å |
| 301 | A | 43 | Very low | 41.3 | Very low | 80 Ų | 80 | 143.2 Ų | 143.2 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | trans | -68.1 | 107.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | H298 | H298-A301 PolarHBondContact O-N 3.38Å; H298-A301 VanDerWaalsContact O-N 3.13Å | ||
| 302 | R | 38.5 | Very low | 41.5 | Very low | 231 Ų | 231 | 146.1 Ų | 146.1 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57 | 139.9 | 172.9 | -94 | -173 | 175.3 | -159.4 | -0.5 | 109.8 | Y300 G304 | Y300-R302 PolarHBondContact O-N 2.86Å; R302-G304 PolarHBondContact O-N 2.97Å; R302-G304 VanDerWaalsContact O-N 3.12Å |
| 303 | P | 47.2 | Very low | 41.5 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 118.5 | 174.1 | -19.3 | 30.7 | 0 | 0 | 0 | 109.6 | I305 | P303-I305 PolarHBondContact O-N 3.24Š|
| 304 | G | 43.9 | Very low | 41.9 | Very low | 63 Ų | 63 | 146.2 Ų | 146.2 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 129.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | R302 N306 | R302-G304 PolarHBondContact O-N 2.97Å; R302-G304 VanDerWaalsContact O-N 3.12Å; G304-N306 PolarHBondContact O-N 3.48Å; G304-N306 VanDerWaalsContact O-N 3.13Å |
| 305 | I | 43 | Very low | 41.9 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -58.2 | 111.5 | 173.4 | -76.1 | 161.2 | 0 | 0 | 0 | 108.2 | P303 N307 | P303-I305 PolarHBondContact O-N 3.24Å; I305-N307 PolarHBondContact O-N 3.46Å; I305-N307 VanDerWaalsContact O-N 3.14Å | ||
| 306 | N | 41.2 | Very low | 42.1 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -70.2 | 103.1 | 171.9 | -80.1 | -3.3 | 0 | 0 | 0 | 108.7 | G304 D308 | G304-N306 PolarHBondContact O-N 3.48Å; G304-N306 VanDerWaalsContact O-N 3.13Å; N306-D308 PolarHBondContact O-N 3.17Å; N306-D308 VanDerWaalsContact O-N 3.16Å | ||
| 307 | N | 38.4 | Very low | 42 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | trans | -80.2 | 77.1 | 162.9 | -86.1 | -16.2 | 0 | 0 | 0 | 108.4 | I305 H309 | I305-N307 PolarHBondContact O-N 3.46Å; I305-N307 VanDerWaalsContact O-N 3.14Å; N307-H309 PolarHBondContact O-N 3.31Å | ||
| 308 | D | 44.9 | Very low | 42 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -78.6 | 80.1 | 170.1 | -67 | -33.3 | 0 | 0 | 0 | 108.6 | N306 | N306-D308 PolarHBondContact O-N 3.17Å; N306-D308 VanDerWaalsContact O-N 3.16Å | ||
| 309 | H | 39.7 | Very low | 42 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -83.6 | 144 | 157.3 | -77.8 | 66.4 | 0 | 0 | 0 | 108.8 | N307 | N307-H309 PolarHBondContact O-N 3.31Š| ||
| 310 | N | 37.8 | Very low | 41.3 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | 89.5 | 106.4 | 157.2 | -71.9 | -9.1 | 0 | 0 | 0 | 119.2 | ||||
| 311 | N | 35.2 | Very low | 41 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 68% | 0.679 | 81% | 0.811 | S | S | * | * | 98.6 | 144.8 | 109.1 | -162.5 | 24.7 | 0 | 0 | 0 | 117 | |||||
| 312 | F | 41.9 | Very low | 40.8 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | 92.5 | 102.5 | 173.7 | -63.2 | -79.8 | 0 | 0 | 0 | 117.4 | ||||
| 313 | G | 38 | Very low | 41 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 100% | 1.598 | 82% | 0.819 | S | S | * | * | trans | 150.2 | 0 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.8 |
Retrieved 313 of 313 residues in 74.7 ms
(Link to these results)