| 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 | 56.9 | Low | 82.6 | Confident | 180 Ų | 180 | 57 Ų | 57 | 89% | 0.887 | 29% | 0.29 | S | S | * | . | 0 | 130.2 | 0 | -71 | -176.6 | -152.1 | 0 | 0 | 107.2 | I3 L6 | M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 WeakPolarHBondContact O-CD1 3.49Å; M1-I3 PolarHBondContact O-N 2.98Å; M1-L6 HydrophobicContact CB-CD1 4.22Å; M1-L6 HydrophobicContact SD-CD1 4.25Å | |||
| 2 | D | 79.5 | Confident | 82.7 | Confident | 87 Ų | 87 | 58 Ų | 58 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | trans | -76.6 | 89.9 | 175.1 | -170.5 | -7.7 | 0 | 0 | 0 | 109.2 | Q4 N5 L6 | D2-Q4 PolarHBondContact O-N 2.65Å; D2-Q4 PolarHBondContact OD1-N 3.28Å; D2-N5 HydrophobicContact CB-CB 4.26Å; D2-N5 PolarHBondContact O-N 3Å; D2-N5 PolarHBondContact OD2-ND2 3.28Å; D2-L6 PolarHBondContact O-N 3.24Å; D2-L6 VanDerWaalsContact O-N 3.15Å | ||
| 3 | I | 85.1 | Confident | 82.6 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59 | -31.6 | -176.2 | -68.8 | 122.1 | 0 | 0 | 0 | 111.3 | M1 L6 I7 I32 | M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 WeakPolarHBondContact O-CD1 3.49Å; M1-I3 PolarHBondContact O-N 2.98Å; I3-L6 PolarHBondContact O-N 3.2Å; I3-I7 HydrophobicContact CG2-CD1 3.65Å; I3-I7 HydrophobicContact CG2-CG1 4.23Å; I3-I7 WeakPolarHBondContact O-CD1 3.31Å; I3-I7 VanDerWaalsContact O-CG1 3.24Å; I3-I7 WeakPolarHBondContact O-CG1 3.37Å; I3-I7 PolarHBondContact O-N 3.49Å; I3-I32 HydrophobicContact CD1-CG2 3.11Å; I3-I32 HydrophobicContact CG1-CG2 3.7Å |
| 4 | Q | 84.9 | Confident | 82.4 | Confident | 51 Ų | 51 | 62 Ų | 62 | 24% | 0.238 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -48 | 179.2 | -62.4 | 177.4 | 5.7 | 0 | 0 | 110.7 | D2 L6 I7 L8 S39 L40 | D2-Q4 PolarHBondContact O-N 2.65Å; D2-Q4 PolarHBondContact OD1-N 3.28Å; Q4-L6 VanDerWaalsContact C-N 3.34Å; Q4-L6 PolarHBondContact O-N 3.27Å; Q4-I7 PolarHBondContact O-N 3.39Å; Q4-L8 WeakPolarHBondContact O-CG 3.45Å; Q4-L8 PolarHBondContact O-N 3.12Å; Q4-S39 VanDerWaalsContact NE2-CB 3.27Å; Q4-L40 HydrophobicContact CB-CD2 4.19Å; Q4-L40 HydrophobicContact CB-CG 4.31Å; Q4-L40 HydrophobicContact CG-CG 4.39Å |
| 5 | N | 84.2 | Confident | 82.2 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.6 | -83.3 | -33.1 | 0 | 0 | 0 | 112.2 | D2 L8 L9 | D2-N5 HydrophobicContact CB-CB 4.26Å; D2-N5 PolarHBondContact O-N 3Å; D2-N5 PolarHBondContact OD2-ND2 3.28Å; N5-L8 PolarHBondContact O-N 3.31Å; N5-L9 WeakPolarHBondContact O-CB 3.48Å; N5-L9 VanDerWaalsContact O-CG 3.24Å; N5-L9 WeakPolarHBondContact O-CG 3.45Å; N5-L9 PolarHBondContact O-N 3.07Å |
| 6 | L | 85.9 | Confident | 82.5 | Confident | 56 Ų | 56 | 68.1 Ų | 68.1 | 29% | 0.293 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 175.1 | -69.4 | 174.7 | 0 | 0 | 0 | 112.6 | M1 D2 I3 Q4 L9 E10 L26 | M1-L6 HydrophobicContact CB-CD1 4.22Å; M1-L6 HydrophobicContact SD-CD1 4.25Å; D2-L6 PolarHBondContact O-N 3.24Å; D2-L6 VanDerWaalsContact O-N 3.15Å; I3-L6 PolarHBondContact O-N 3.2Å; Q4-L6 VanDerWaalsContact C-N 3.34Å; Q4-L6 PolarHBondContact O-N 3.27Å; L6-L9 PolarHBondContact O-N 3.29Å; L6-E10 PolarHBondContact O-N 3.15Å; L6-L26 HydrophobicContact CD1-CD2 4.44Å |
| 7 | I | 86.8 | Confident | 83 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 175.2 | -71.7 | 162.6 | 0 | 0 | 0 | 110.7 | I3 Q4 E10 L11 F17 L22 V33 I37 L40 | I3-I7 HydrophobicContact CG2-CD1 3.65Å; I3-I7 HydrophobicContact CG2-CG1 4.23Å; I3-I7 WeakPolarHBondContact O-CD1 3.31Å; I3-I7 VanDerWaalsContact O-CG1 3.24Å; I3-I7 WeakPolarHBondContact O-CG1 3.37Å; I3-I7 PolarHBondContact O-N 3.49Å; Q4-I7 PolarHBondContact O-N 3.39Å; I7-E10 PolarHBondContact O-N 3.28Å; I7-L11 HydrophobicContact CG2-CD1 4.26Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 3.06Å; I7-F17 HydrophobicContact CG1-CZ 4.49Å; I7-F17 HydrophobicContact CG2-CE1 3.96Å; I7-F17 HydrophobicContact CG2-CZ 3.73Å; I7-L22 HydrophobicContact CG1-CD2 3.97Å; I7-V33 HydrophobicContact CD1-CG1 4.41Å; I7-I37 HydrophobicContact CD1-CG1 3.94Å; I7-L40 HydrophobicContact CB-CD1 3.9Å; I7-L40 HydrophobicContact CD1-CD1 4.31Å; I7-L40 HydrophobicContact CG2-CD1 3.54Å |
| 8 | L | 85.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 177.9 | -68 | 175.4 | 0 | 0 | 0 | 111.7 | Q4 N5 L11 T12 L40 I46 I47 F177 I181 | Q4-L8 WeakPolarHBondContact O-CG 3.45Å; Q4-L8 PolarHBondContact O-N 3.12Å; N5-L8 PolarHBondContact O-N 3.31Å; L8-L11 PolarHBondContact O-N 3.21Å; L8-T12 PolarHBondContact O-N 3.41Å; L8-L40 HydrophobicContact CD1-CD2 3.99Å; L8-L40 HydrophobicContact CD2-CD1 4.2Å; L8-L40 HydrophobicContact CD2-CD2 4.15Å; L8-L40 HydrophobicContact CG-CD1 4.16Å; L8-L40 HydrophobicContact CG-CD2 4.09Å; L8-I46 HydrophobicContact CD2-CG2 3.74Å; L8-I47 HydrophobicContact CD2-CG2 4.38Å; L8-F177 HydrophobicContact CD2-CD2 4.37Å; L8-F177 HydrophobicContact CD2-CE2 3.76Å; L8-I181 HydrophobicContact CD1-CD1 4.07Å; L8-I181 HydrophobicContact CD1-CG1 4.02Å |
| 9 | L | 86.4 | Confident | 83.8 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 174.8 | -76.5 | 165.7 | 0 | 0 | 0 | 111.9 | N5 L6 L11 T12 G13 | N5-L9 WeakPolarHBondContact O-CB 3.48Å; N5-L9 VanDerWaalsContact O-CG 3.24Å; N5-L9 WeakPolarHBondContact O-CG 3.45Å; N5-L9 PolarHBondContact O-N 3.07Å; L6-L9 PolarHBondContact O-N 3.29Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 2.97Å; L9-T12 WeakPolarHBondContact O-CB 3.24Å; L9-T12 PolarHBondContact O-N 3.5Å; L9-T12 PolarHBondContact O-OG1 2.95Å; L9-G13 PolarHBondContact O-N 2.81Å |
| 10 | E | 86.5 | Confident | 84.1 | Confident | 37 Ų | 37 | 58.3 Ų | 58.3 | 17% | 0.173 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 176.8 | -168.4 | 72.1 | -168.1 | 0 | 0 | 111.1 | L6 I7 T12 G13 E14 F17 L22 K25 | L6-E10 PolarHBondContact O-N 3.15Å; I7-E10 PolarHBondContact O-N 3.28Å; E10-T12 PolarHBondContact O-N 3.22Å; E10-G13 PolarHBondContact O-N 3.27Å; E10-G13 VanDerWaalsContact O-N 3.12Å; E10-E14 PolarHBondContact O-N 3.46Å; E10-F17 HydrophobicContact CG-CD1 4.42Å; E10-L22 HydrophobicContact CB-CD1 4.25Å; E10-L22 HydrophobicContact CG-CD1 3.89Å; E10-K25 IonicContact OE1-NZ 2.86Å; E10-K25 PolarHBondContact OE1-NZ 3.22Å; E10-K25 IonicContact OE2-NZ 2.84Å; E10-K25 PolarHBondContact OE2-NZ 3.38Å |
| 11 | L | 86.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -29.7 | 172.2 | -72.3 | 166.1 | 0 | 0 | 0 | 112.1 | I7 L8 L9 G13 E14 F17 I47 V171 K173 F177 | I7-L11 HydrophobicContact CG2-CD1 4.26Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 3.06Å; L8-L11 PolarHBondContact O-N 3.21Å; L9-L11 VanDerWaalsContact C-N 3.31Å; L9-L11 PolarHBondContact O-N 2.97Å; L11-G13 PolarHBondContact O-N 2.92Å; L11-E14 CarbonylContact C-O 3.6Å; L11-F17 HydrophobicContact CD1-CE1 4.05Å; L11-F17 HydrophobicContact CD2-CD1 3.62Å; L11-F17 HydrophobicContact CD2-CE1 3.69Å; L11-F17 HydrophobicContact CG-CD1 3.89Å; L11-F17 HydrophobicContact CG-CE1 3.59Å; L11-I47 HydrophobicContact CD1-CG2 3.74Å; L11-V171 HydrophobicContact CD1-CG1 3.97Å; L11-V171 HydrophobicContact CD2-CG1 4.35Å; L11-K173 HydrophobicContact CB-CG 4.48Å; L11-K173 WeakPolarHBondContact O-CE 3.17Å; L11-K173 PolarHBondContact O-NZ 3.46Å; L11-F177 HydrophobicContact CB-CE2 3.56Å; L11-F177 HydrophobicContact CB-CZ 3.64Å; L11-F177 HydrophobicContact CD1-CD2 4.47Å; L11-F177 HydrophobicContact CD1-CE2 3.81Å; L11-F177 HydrophobicContact CG-CE2 4.32Å |
| 12 | T | 83.9 | Confident | 85.9 | Confident | 69 Ų | 69 | 53.9 Ų | 53.9 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 175 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | L8 L9 E10 F177 T179 | L8-T12 PolarHBondContact O-N 3.41Å; L9-T12 WeakPolarHBondContact O-CB 3.24Å; L9-T12 PolarHBondContact O-N 3.5Å; L9-T12 PolarHBondContact O-OG1 2.95Å; E10-T12 PolarHBondContact O-N 3.22Å; T12-F177 HydrophobicContact CG2-CE1 4.04Å; T12-F177 HydrophobicContact CG2-CZ 4.07Å; T12-T179 HydrophobicContact CG2-CG2 3.42Å; T12-T179 VanDerWaalsContact CG2-CG2 3.42Å |
| 13 | G | 80.8 | Confident | 86.4 | Confident | 70 Ų | 70 | 50 Ų | 50 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -80.7 | -43 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L9 E10 L11 | L9-G13 PolarHBondContact O-N 2.81Å; E10-G13 PolarHBondContact O-N 3.27Å; E10-G13 VanDerWaalsContact O-N 3.12Å; L11-G13 PolarHBondContact O-N 2.92Å |
| 14 | E | 79.8 | Confident | 86.7 | Confident | 102 Ų | 102 | 55.6 Ų | 55.6 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | trans | -109.9 | 151.6 | -176 | -62.9 | -164.7 | 171 | 0 | 0 | 112.9 | E10 L11 Y16 | E10-E14 PolarHBondContact O-N 3.46Å; L11-E14 CarbonylContact C-O 3.6Å; E14-Y16 VanDerWaalsContact C-N 3.34Å | ||
| 15 | S | 79.2 | Confident | 86.9 | Confident | 87 Ų | 87 | 59.6 Ų | 59.6 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -72.2 | -30.2 | 178.5 | 59.3 | 0 | 0 | 0 | 0 | 113 | ||
| 16 | Y | 87.8 | Confident | 87.1 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 53% | 0.525 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 156.4 | 174.8 | 65.9 | -89.7 | 0 | 0 | 0 | 109 | E14 L170 V171 | E14-Y16 VanDerWaalsContact C-N 3.34Å; Y16-L170 HydrophobicContact CD2-CD1 3.55Å; Y16-L170 HydrophobicContact CE2-CD1 4.24Å; Y16-L170 HydrophobicContact CG-CD1 4.3Å; Y16-V171 VanDerWaalsContact CA-O 3.25Å; Y16-V171 WeakPolarHBondContact CA-O 3.45Å |
| 17 | F | 90.3 | Very high | 87.3 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 4% | 0.044 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157.5 | 169.5 | 72.9 | -91.1 | 0 | 0 | 0 | 110.5 | I7 E10 L11 L22 V171 | I7-F17 HydrophobicContact CG1-CZ 4.49Å; I7-F17 HydrophobicContact CG2-CE1 3.96Å; I7-F17 HydrophobicContact CG2-CZ 3.73Å; E10-F17 HydrophobicContact CG-CD1 4.42Å; L11-F17 HydrophobicContact CD1-CE1 4.05Å; L11-F17 HydrophobicContact CD2-CD1 3.62Å; L11-F17 HydrophobicContact CD2-CE1 3.69Å; L11-F17 HydrophobicContact CG-CD1 3.89Å; L11-F17 HydrophobicContact CG-CE1 3.59Å; F17-L22 HydrophobicContact CD2-CB 3.73Å; F17-L22 HydrophobicContact CD2-CD2 3.82Å; F17-L22 HydrophobicContact CD2-CG 4.34Å; F17-L22 HydrophobicContact CE1-CD2 4.46Å; F17-L22 HydrophobicContact CE2-CB 3.92Å; F17-L22 HydrophobicContact CE2-CD2 3.33Å; F17-L22 HydrophobicContact CE2-CG 4.24Å; F17-L22 HydrophobicContact CZ-CD2 3.71Å; F17-V171 HydrophobicContact CD1-CB 4.23Å; F17-V171 HydrophobicContact CE1-CB 3.64Å; F17-V171 HydrophobicContact CE1-CG1 3.84Å; F17-V171 HydrophobicContact CE1-CG2 4.29Å; F17-V171 HydrophobicContact CE2-CB 4.18Å; F17-V171 HydrophobicContact CE2-CG2 4.04Å; F17-V171 HydrophobicContact CZ-CB 3.61Å; F17-V171 HydrophobicContact CZ-CG1 3.99Å; F17-V171 HydrophobicContact CZ-CG2 3.72Å; F17-V171 PolarHBondContact N-O 3.04Å; F17-V171 VanDerWaalsContact N-O 3.1Å; F17-V171 PolarHBondContact O-N 3.19Å |
| 18 | K | 90.8 | Very high | 87.4 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 18% | 0.183 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.3 | 172.8 | -153.3 | -168.1 | 177.1 | -160.2 | 0 | 108.7 | D20 K21 L22 E54 S168 | K18-D20 VanDerWaalsContact C-N 3.26Å; K18-D20 WeakPolarHBondContact CD-OD1 3.18Å; K18-D20 VanDerWaalsContact CD-OD2 3.24Å; K18-D20 WeakPolarHBondContact CD-OD2 3.4Å; K18-D20 WeakPolarHBondContact CE-OD1 3.32Å; K18-D20 WeakPolarHBondContact CE-OD2 3.36Å; K18-D20 VanDerWaalsContact CG-OD1 3.32Å; K18-D20 WeakPolarHBondContact CG-OD1 3.24Å; K18-D20 IonicContact NZ-OD2 3.76Å; K18-D20 PolarHBondContact NZ-OD2 2.92Å; K18-D20 PolarHBondContact O-N 2.71Å; K18-K21 HydrophobicContact CB-CD 4.44Å; K18-K21 HydrophobicContact CB-CG 4.34Å; K18-K21 PolarHBondContact O-N 2.67Å; K18-K21 VanDerWaalsContact O-N 3.12Å; K18-L22 PolarHBondContact O-N 3.46Å; K18-L22 VanDerWaalsContact O-N 3.14Å; K18-E54 IonicContact NZ-OE1 2.8Å; K18-E54 PolarHBondContact NZ-OE1 2.86Å; K18-S168 VanDerWaalsContact CE-CB 3.45Å; K18-S168 WeakPolarHBondContact CE-OG 3.38Å |
| 19 | S | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.9 | -33.6 | -170 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | L22 A23 H30 Y169 | S19-L22 PolarHBondContact O-N 3.25Å; S19-A23 WeakPolarHBondContact O-CB 3.07Å; S19-A23 PolarHBondContact O-N 2.91Å; S19-H30 PolarHBondContact OG-CE1 3.34Å; S19-Y169 PolarHBondContact N-O 3.1Å; S19-Y169 PolarHBondContact OG-N 2.78Å |
| 20 | D | 89.1 | Confident | 87.8 | Confident | 24 Ų | 24 | 63 Ų | 63 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 177.3 | 24.9 | -40.4 | 0 | 0 | 0 | 111.5 | K18 L22 A23 E24 H30 S168 | K18-D20 VanDerWaalsContact C-N 3.26Å; K18-D20 WeakPolarHBondContact CD-OD1 3.18Å; K18-D20 VanDerWaalsContact CD-OD2 3.24Å; K18-D20 WeakPolarHBondContact CD-OD2 3.4Å; K18-D20 WeakPolarHBondContact CE-OD1 3.32Å; K18-D20 WeakPolarHBondContact CE-OD2 3.36Å; K18-D20 VanDerWaalsContact CG-OD1 3.32Å; K18-D20 WeakPolarHBondContact CG-OD1 3.24Å; K18-D20 IonicContact NZ-OD2 3.76Å; K18-D20 PolarHBondContact NZ-OD2 2.92Å; K18-D20 PolarHBondContact O-N 2.71Å; D20-L22 VanDerWaalsContact C-N 3.32Å; D20-L22 PolarHBondContact O-N 3.29Å; D20-A23 PolarHBondContact O-N 3.29Å; D20-E24 WeakPolarHBondContact O-CG 3.24Å; D20-E24 PolarHBondContact O-N 3.29Å; D20-H30 WeakPolarHBondContact CA-ND1 3.49Å; D20-H30 PolarHBondContact N-CE1 3.42Å; D20-H30 PolarHBondContact N-ND1 3.34Å; D20-H30 IonicContact OD1-CE1 2.62Å; D20-S168 WeakPolarHBondContact OD1-CB 3.17Å |
| 21 | K | 89.9 | Confident | 88 | Confident | 142 Ų | 142 | 67.3 Ų | 67.3 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.8 | -36.8 | 173.7 | -68.2 | -172.9 | 176.3 | -176.3 | 0 | 112.1 | K18 K25 | K18-K21 HydrophobicContact CB-CD 4.44Å; K18-K21 HydrophobicContact CB-CG 4.34Å; K18-K21 PolarHBondContact O-N 2.67Å; K18-K21 VanDerWaalsContact O-N 3.12Å; K21-K25 WeakPolarHBondContact O-CB 3.48Å; K21-K25 PolarHBondContact O-N 2.92Å |
| 22 | L | 89.1 | Confident | 88.1 | Confident | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 176 | -178 | 61.1 | 0 | 0 | 0 | 111.2 | I7 E10 F17 K18 S19 D20 E24 K25 L26 V33 | I7-L22 HydrophobicContact CG1-CD2 3.97Å; E10-L22 HydrophobicContact CB-CD1 4.25Å; E10-L22 HydrophobicContact CG-CD1 3.89Å; F17-L22 HydrophobicContact CD2-CB 3.73Å; F17-L22 HydrophobicContact CD2-CD2 3.82Å; F17-L22 HydrophobicContact CD2-CG 4.34Å; F17-L22 HydrophobicContact CE1-CD2 4.46Å; F17-L22 HydrophobicContact CE2-CB 3.92Å; F17-L22 HydrophobicContact CE2-CD2 3.33Å; F17-L22 HydrophobicContact CE2-CG 4.24Å; F17-L22 HydrophobicContact CZ-CD2 3.71Å; K18-L22 PolarHBondContact O-N 3.46Å; K18-L22 VanDerWaalsContact O-N 3.14Å; S19-L22 PolarHBondContact O-N 3.25Å; D20-L22 VanDerWaalsContact C-N 3.32Å; D20-L22 PolarHBondContact O-N 3.29Å; L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.86Å; L22-K25 PolarHBondContact O-N 3.18Å; L22-L26 HydrophobicContact CD1-CD1 3.85Å; L22-L26 HydrophobicContact CD1-CG 3.96Å; L22-L26 HydrophobicContact CD2-CD1 4.4Å; L22-L26 HydrophobicContact CG-CD1 3.82Å; L22-L26 HydrophobicContact CG-CG 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3.41Å; L22-L26 PolarHBondContact O-N 3.18Å; L22-V33 HydrophobicContact CD2-CG1 4.09Å |
| 23 | A | 90.3 | Very high | 88.5 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 5% | 0.05 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.7 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | S19 D20 L26 G27 V28 H30 V33 | S19-A23 WeakPolarHBondContact O-CB 3.07Å; S19-A23 PolarHBondContact O-N 2.91Å; D20-A23 PolarHBondContact O-N 3.29Å; A23-L26 PolarHBondContact O-N 2.94Å; A23-G27 PolarHBondContact O-N 3.4Å; A23-V28 WeakPolarHBondContact CB-O 3.47Å; A23-V28 PolarHBondContact O-N 3.25Å; A23-H30 HydrophobicContact CB-CB 4.14Å; A23-V33 HydrophobicContact CB-CG2 3.98Å |
| 24 | E | 90.4 | Very high | 89 | Confident | 158 Ų | 158 | 65 Ų | 65 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.9 | -46.9 | 173.4 | -74 | 176.6 | -177.9 | 0 | 0 | 112.3 | D20 L22 L26 G27 | D20-E24 WeakPolarHBondContact O-CG 3.24Å; D20-E24 PolarHBondContact O-N 3.29Å; L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.86Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 3.07Å; E24-G27 PolarHBondContact O-N 3.49Å |
| 25 | K | 90 | Very high | 89.4 | Confident | 135 Ų | 135 | 61.8 Ų | 61.8 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.3 | -37.9 | 179.4 | -172.4 | -174.9 | -177.5 | -169 | 0 | 112.6 | E10 K21 L22 | E10-K25 IonicContact OE1-NZ 2.86Å; E10-K25 PolarHBondContact OE1-NZ 3.22Å; E10-K25 IonicContact OE2-NZ 2.84Å; E10-K25 PolarHBondContact OE2-NZ 3.38Å; K21-K25 WeakPolarHBondContact O-CB 3.48Å; K21-K25 PolarHBondContact O-N 2.92Å; L22-K25 PolarHBondContact O-N 3.18Å |
| 26 | L | 88.8 | Confident | 89.8 | Confident | 59 Ų | 59 | 58 Ų | 58 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -83.5 | -14.7 | 179 | -66.2 | 175.4 | 0 | 0 | 0 | 113 | L6 L22 A23 E24 V28 | L6-L26 HydrophobicContact CD1-CD2 4.44Å; L22-L26 HydrophobicContact CD1-CD1 3.85Å; L22-L26 HydrophobicContact CD1-CG 3.96Å; L22-L26 HydrophobicContact CD2-CD1 4.4Å; L22-L26 HydrophobicContact CG-CD1 3.82Å; L22-L26 HydrophobicContact CG-CG 4.31Å; L22-L26 WeakPolarHBondContact O-CB 3.35Å; L22-L26 WeakPolarHBondContact O-CG 3.41Å; L22-L26 PolarHBondContact O-N 3.18Å; A23-L26 PolarHBondContact O-N 2.94Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 3.07Å; L26-V28 VanDerWaalsContact C-N 3.31Å; L26-V28 HydrophobicContact CB-CB 4.4Å; L26-V28 HydrophobicContact CB-CG2 3.92Å |
| 27 | G | 89.2 | Confident | 89.9 | Confident | 71 Ų | 71 | 51.7 Ų | 51.7 | 73% | 0.732 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 33 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | A23 E24 | A23-G27 PolarHBondContact O-N 3.4Å; E24-G27 PolarHBondContact O-N 3.49Å |
| 28 | V | 89.8 | Confident | 89.7 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | trans | -118.6 | 150.3 | -175.9 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | A23 L26 H30 I32 | A23-V28 WeakPolarHBondContact CB-O 3.47Å; A23-V28 PolarHBondContact O-N 3.25Å; L26-V28 VanDerWaalsContact C-N 3.31Å; L26-V28 HydrophobicContact CB-CB 4.4Å; L26-V28 HydrophobicContact CB-CG2 3.92Å; V28-H30 PolarHBondContact O-N 3.32Å; V28-I32 HydrophobicContact CG1-CB 3.75Å; V28-I32 HydrophobicContact CG1-CD1 3.55Å; V28-I32 HydrophobicContact CG1-CG1 4.18Å; V28-I32 HydrophobicContact CG1-CG2 3.84Å | ||
| 29 | D | 90.3 | Very high | 89.5 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 55% | 0.551 | 30% | 0.304 | S | S | * | . | trans | -55.6 | 132.2 | 171.9 | -176.2 | 0.4 | 0 | 0 | 0 | 111.1 | Q31 I32 | D29-Q31 PolarHBondContact O-N 3.09Å; D29-Q31 VanDerWaalsContact O-N 3.13Å; D29-Q31 PolarHBondContact OD1-N 3Å; D29-I32 HydrophobicContact CB-CD1 4.21Å; D29-I32 HydrophobicContact CB-CG1 4.39Å; D29-I32 WeakPolarHBondContact O-CB 3.4Å; D29-I32 PolarHBondContact O-N 2.91Å | ||
| 30 | H | 90.3 | Very high | 89.2 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 13% | 0.134 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -52.5 | -34.8 | 178.8 | -177.5 | 79.3 | 0 | 0 | 0 | 112.5 | S19 D20 A23 V28 I32 V33 V34 T167 | S19-H30 PolarHBondContact OG-CE1 3.34Å; D20-H30 WeakPolarHBondContact CA-ND1 3.49Å; D20-H30 PolarHBondContact N-CE1 3.42Å; D20-H30 PolarHBondContact N-ND1 3.34Å; D20-H30 IonicContact OD1-CE1 2.62Å; A23-H30 HydrophobicContact CB-CB 4.14Å; V28-H30 PolarHBondContact O-N 3.32Å; H30-I32 PolarHBondContact O-N 2.63Å; H30-V33 PolarHBondContact O-N 2.89Å; H30-V33 VanDerWaalsContact O-N 3.16Å; H30-V34 WeakPolarHBondContact O-CG2 3.31Å; H30-V34 PolarHBondContact O-N 3.05Å; H30-T167 PolarHBondContact NE2-O 3.36Å; H30-T167 VanDerWaalsContact NE2-O 3.1Å |
| 31 | Q | 89.9 | Confident | 89 | Confident | 129 Ų | 129 | 60 Ų | 60 | 60% | 0.603 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.2 | -33.9 | 178.3 | -69.3 | -61.3 | -30.6 | 0 | 0 | 113.3 | D29 V34 G35 | D29-Q31 PolarHBondContact O-N 3.09Å; D29-Q31 VanDerWaalsContact O-N 3.13Å; D29-Q31 PolarHBondContact OD1-N 3Å; Q31-V34 PolarHBondContact O-N 3.18Å; Q31-G35 PolarHBondContact O-N 3.16Å |
| 32 | I | 89.9 | Confident | 88.4 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 179.9 | -64.8 | 174.2 | 0 | 0 | 0 | 110.1 | I3 V28 D29 H30 G35 G36 | I3-I32 HydrophobicContact CD1-CG2 3.11Å; I3-I32 HydrophobicContact CG1-CG2 3.7Å; V28-I32 HydrophobicContact CG1-CB 3.75Å; V28-I32 HydrophobicContact CG1-CD1 3.55Å; V28-I32 HydrophobicContact CG1-CG1 4.18Å; V28-I32 HydrophobicContact CG1-CG2 3.84Å; D29-I32 HydrophobicContact CB-CD1 4.21Å; D29-I32 HydrophobicContact CB-CG1 4.39Å; D29-I32 WeakPolarHBondContact O-CB 3.4Å; D29-I32 PolarHBondContact O-N 2.91Å; H30-I32 PolarHBondContact O-N 2.63Å; I32-G35 PolarHBondContact O-N 2.83Å; I32-G36 PolarHBondContact O-N 2.92Å; I32-G36 VanDerWaalsContact O-N 3.12Å |
| 33 | V | 91.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | I7 L22 A23 H30 G35 G36 I37 | I7-V33 HydrophobicContact CD1-CG1 4.41Å; L22-V33 HydrophobicContact CD2-CG1 4.09Å; A23-V33 HydrophobicContact CB-CG2 3.98Å; H30-V33 PolarHBondContact O-N 2.89Å; H30-V33 VanDerWaalsContact O-N 3.16Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 2.91Å; V33-G36 PolarHBondContact O-N 3.39Å; V33-G36 VanDerWaalsContact O-N 3.14Å; V33-I37 HydrophobicContact CG1-CD1 3.98Å; V33-I37 HydrophobicContact CG1-CG1 4.46Å; V33-I37 WeakPolarHBondContact O-CG1 3.46Å; V33-I37 PolarHBondContact O-N 3.45Å |
| 34 | V | 91.2 | Very high | 86.9 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | H30 Q31 G36 I37 K38 Y169 | H30-V34 WeakPolarHBondContact O-CG2 3.31Å; H30-V34 PolarHBondContact O-N 3.05Å; Q31-V34 PolarHBondContact O-N 3.18Å; V34-G36 VanDerWaalsContact C-N 3.32Å; V34-G36 PolarHBondContact O-N 2.89Å; V34-I37 PolarHBondContact O-N 3.06Å; V34-K38 HydrophobicContact CG1-CD 4.35Å; V34-K38 WeakPolarHBondContact O-CG 3.36Å; V34-K38 PolarHBondContact O-N 3.29Å; V34-Y169 HydrophobicContact CB-CE2 4.24Å; V34-Y169 HydrophobicContact CG1-CD2 4.27Å; V34-Y169 HydrophobicContact CG1-CE2 3.55Å; V34-Y169 HydrophobicContact CG2-CD2 3.74Å; V34-Y169 HydrophobicContact CG2-CE2 3.67Å |
| 35 | G | 88 | Confident | 86.1 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q31 I32 V33 S39 | Q31-G35 PolarHBondContact O-N 3.16Å; I32-G35 PolarHBondContact O-N 2.83Å; V33-G35 VanDerWaalsContact C-N 3.33Å; V33-G35 PolarHBondContact O-N 2.91Å; G35-S39 PolarHBondContact O-N 3.42Å; G35-S39 PolarHBondContact O-OG 3.38Å |
| 36 | G | 89 | Confident | 85.8 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | I32 V33 V34 K38 S39 L40 | I32-G36 PolarHBondContact O-N 2.92Å; I32-G36 VanDerWaalsContact O-N 3.12Å; V33-G36 PolarHBondContact O-N 3.39Å; V33-G36 VanDerWaalsContact O-N 3.14Å; V34-G36 VanDerWaalsContact C-N 3.32Å; V34-G36 PolarHBondContact O-N 2.89Å; G36-K38 PolarHBondContact O-N 3.36Å; G36-S39 WeakPolarHBondContact O-CB 3.38Å; G36-S39 PolarHBondContact O-N 2.61Å; G36-L40 PolarHBondContact O-N 3.12Å |
| 37 | I | 89.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 177 | -68.1 | 167.5 | 0 | 0 | 0 | 110.8 | I7 V33 V34 S39 L40 E41 I47 C49 V171 | I7-I37 HydrophobicContact CD1-CG1 3.94Å; V33-I37 HydrophobicContact CG1-CD1 3.98Å; V33-I37 HydrophobicContact CG1-CG1 4.46Å; V33-I37 WeakPolarHBondContact O-CG1 3.46Å; V33-I37 PolarHBondContact O-N 3.45Å; V34-I37 PolarHBondContact O-N 3.06Å; I37-S39 PolarHBondContact O-N 3.24Å; I37-L40 PolarHBondContact O-N 3.23Å; I37-E41 PolarHBondContact O-N 3.35Å; I37-I47 HydrophobicContact CG2-CD1 4.05Å; I37-C49 HydrophobicContact CG2-CB 4.49Å; I37-C49 WeakPolarHBondContact CG2-SG 3.5Å; I37-V171 HydrophobicContact CD1-CG2 3.56Å; I37-V171 HydrophobicContact CG1-CG2 3.96Å; I37-V171 HydrophobicContact CG2-CG2 4.13Å |
| 38 | K | 87.1 | Confident | 85.5 | Confident | 106 Ų | 106 | 55 Ų | 55 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -33.4 | 178.9 | -72.7 | -178.1 | 178.1 | -179.7 | 0 | 113.1 | V34 G36 N42 | V34-K38 HydrophobicContact CG1-CD 4.35Å; V34-K38 WeakPolarHBondContact O-CG 3.36Å; V34-K38 PolarHBondContact O-N 3.29Å; G36-K38 PolarHBondContact O-N 3.36Å; K38-N42 PolarHBondContact O-N 3.41Å |
| 39 | S | 85.1 | Confident | 85.5 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 175.4 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | Q4 G35 G36 I37 N42 Y43 | Q4-S39 VanDerWaalsContact NE2-CB 3.27Å; G35-S39 PolarHBondContact O-N 3.42Å; G35-S39 PolarHBondContact O-OG 3.38Å; G36-S39 WeakPolarHBondContact O-CB 3.38Å; G36-S39 PolarHBondContact O-N 2.61Å; I37-S39 PolarHBondContact O-N 3.24Å; S39-N42 WeakPolarHBondContact O-CB 3.47Å; S39-N42 PolarHBondContact O-N 2.72Å; S39-Y43 WeakPolarHBondContact O-CD2 3.44Å |
| 40 | L | 85.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.5 | -31.8 | 175.6 | -73.6 | 173.4 | 0 | 0 | 0 | 112.8 | Q4 I7 L8 G36 I37 N42 Y43 I47 I181 | Q4-L40 HydrophobicContact CB-CD2 4.19Å; Q4-L40 HydrophobicContact CB-CG 4.31Å; Q4-L40 HydrophobicContact CG-CG 4.39Å; I7-L40 HydrophobicContact CB-CD1 3.9Å; I7-L40 HydrophobicContact CD1-CD1 4.31Å; I7-L40 HydrophobicContact CG2-CD1 3.54Å; L8-L40 HydrophobicContact CD1-CD2 3.99Å; L8-L40 HydrophobicContact CD2-CD1 4.2Å; L8-L40 HydrophobicContact CD2-CD2 4.15Å; L8-L40 HydrophobicContact CG-CD1 4.16Å; L8-L40 HydrophobicContact CG-CD2 4.09Å; G36-L40 PolarHBondContact O-N 3.12Å; I37-L40 PolarHBondContact O-N 3.23Å; L40-N42 VanDerWaalsContact C-N 3.25Å; L40-N42 PolarHBondContact O-N 3.03Å; L40-Y43 PolarHBondContact O-N 2.78Å; L40-Y43 VanDerWaalsContact O-N 3.14Å; L40-I47 HydrophobicContact CB-CD1 3.41Å; L40-I47 VanDerWaalsContact CB-CD1 3.41Å; L40-I47 HydrophobicContact CB-CG1 4.01Å; L40-I47 HydrophobicContact CD1-CD1 4.4Å; L40-I181 HydrophobicContact CD2-CD1 3.7Å |
| 41 | E | 84.2 | Confident | 85.4 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -28.9 | 175.6 | -170.2 | 175.9 | -154.2 | 0 | 0 | 112.7 | I37 Y43 | I37-E41 PolarHBondContact O-N 3.35Å; E41-Y43 PolarHBondContact O-N 2.83Å |
| 42 | N | 78.9 | Confident | 85.4 | Confident | 139 Ų | 139 | 53.9 Ų | 53.9 | 74% | 0.743 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.6 | 174.2 | -69.8 | -32.7 | 0 | 0 | 0 | 113.1 | K38 S39 L40 S44 | K38-N42 PolarHBondContact O-N 3.41Å; S39-N42 WeakPolarHBondContact O-CB 3.47Å; S39-N42 PolarHBondContact O-N 2.72Å; L40-N42 VanDerWaalsContact C-N 3.25Å; L40-N42 PolarHBondContact O-N 3.03Å; N42-S44 PolarHBondContact O-N 3.07Å |
| 43 | Y | 77 | Confident | 85.2 | Confident | 86 Ų | 86 | 53.8 Ų | 53.8 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -87.1 | 110.6 | 175.5 | -62.8 | -83.2 | 0 | 0 | 0 | 109.5 | S39 L40 E41 G45 I46 I181 | S39-Y43 WeakPolarHBondContact O-CD2 3.44Å; L40-Y43 PolarHBondContact O-N 2.78Å; L40-Y43 VanDerWaalsContact O-N 3.14Å; E41-Y43 PolarHBondContact O-N 2.83Å; Y43-G45 PolarHBondContact O-N 3.21Å; Y43-I46 HydrophobicContact CG-CD1 3.95Å; Y43-I46 PolarHBondContact O-N 3.47Å; Y43-I181 HydrophobicContact CD1-CG2 3.69Å; Y43-I181 HydrophobicContact CD2-CG2 4.23Å; Y43-I181 HydrophobicContact CE1-CG2 3.29Å; Y43-I181 HydrophobicContact CE2-CD1 4.35Å; Y43-I181 HydrophobicContact CE2-CG2 3.89Å; Y43-I181 HydrophobicContact CG-CG2 4.14Å; Y43-I181 VanDerWaalsContact CZ-CG2 3.41Å |
| 44 | S | 70 | Confident | 84.8 | Confident | 88 Ų | 88 | 57.7 Ų | 57.7 | 62% | 0.615 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 114.8 | -171.5 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | N42 | N42-S44 PolarHBondContact O-N 3.07Š|
| 45 | G | 74.2 | Confident | 84.4 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 5.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y43 G174 P175 S176 | Y43-G45 PolarHBondContact O-N 3.21Å; G45-G174 CarbonylContact O-C 3.58Å; G45-G174 VanDerWaalsContact O-C 3.28Å; G45-G174 VanDerWaalsContact O-CA 3.3Å; G45-G174 WeakPolarHBondContact O-CA 3.32Å; G45-P175 WeakPolarHBondContact O-CD 3.33Å; G45-S176 CarbonylContact O-C 3.55Å; G45-S176 WeakPolarHBondContact O-CA 3.35Å; G45-S176 PolarHBondContact O-N 2.96Å |
| 46 | I | 82.5 | Confident | 84.2 | Confident | 15 Ų | 15 | 63 Ų | 63 | 8% | 0.077 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -50.8 | 175.8 | -59.5 | -168.6 | 0 | 0 | 0 | 110.6 | L8 Y43 G174 F177 I181 | L8-I46 HydrophobicContact CD2-CG2 3.74Å; Y43-I46 HydrophobicContact CG-CD1 3.95Å; Y43-I46 PolarHBondContact O-N 3.47Å; I46-G174 WeakPolarHBondContact O-CA 3.42Å; I46-G174 PolarHBondContact O-N 2.9Å; I46-F177 HydrophobicContact CG2-CD2 4.47Å; I46-F177 WeakPolarHBondContact O-CD2 3.38Å; I46-I181 HydrophobicContact CD1-CG1 4.35Å |
| 47 | I | 86.4 | Confident | 83.9 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 153.9 | 178.5 | 64.3 | 171.7 | 0 | 0 | 0 | 111.1 | L8 L11 I37 L40 C49 V171 R172 | L8-I47 HydrophobicContact CD2-CG2 4.38Å; L11-I47 HydrophobicContact CD1-CG2 3.74Å; I37-I47 HydrophobicContact CG2-CD1 4.05Å; L40-I47 HydrophobicContact CB-CD1 3.41Å; L40-I47 VanDerWaalsContact CB-CD1 3.41Å; L40-I47 HydrophobicContact CB-CG1 4.01Å; L40-I47 HydrophobicContact CD1-CD1 4.4Å; I47-C49 WeakPolarHBondContact CD1-SG 3.31Å; I47-V171 HydrophobicContact CB-CG1 4.12Å; I47-V171 HydrophobicContact CD1-CG1 4.19Å; I47-V171 HydrophobicContact CG2-CG1 4.31Å; I47-R172 WeakPolarHBondContact CA-O 3.28Å |
| 48 | Q | 86.8 | Confident | 83.7 | Confident | 106 Ų | 106 | 69.3 Ų | 69.3 | 50% | 0.495 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.6 | 167.2 | -76.5 | 176.8 | -8.9 | 0 | 0 | 108 | R172 | Q48-R172 HydrophobicContact CB-CB 4.35Å; Q48-R172 PolarHBondContact N-O 2.9Å; Q48-R172 PolarHBondContact O-N 3.17Å |
| 49 | C | 88.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.8 | -179.6 | -59.8 | 0 | 0 | 0 | 0 | 109.9 | I37 I47 | I37-C49 HydrophobicContact CG2-CB 4.49Å; I37-C49 WeakPolarHBondContact CG2-SG 3.5Å; I47-C49 WeakPolarHBondContact CD1-SG 3.31Å |
| 50 | E | 89.6 | Confident | 83.9 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.2 | 172.2 | -178.4 | 179.8 | -172.3 | 0 | 0 | 108.7 | V52 L170 R172 | E50-V52 PolarHBondContact O-N 3.3Å; E50-L170 HydrophobicContact CB-CB 4.31Å; E50-L170 PolarHBondContact N-O 3.32Å; E50-L170 PolarHBondContact O-N 3.08Å; E50-R172 IonicContact OE2-CZ 2.76Å; E50-R172 IonicContact OE2-NH2 3.42Å; E50-R172 PolarHBondContact OE2-NH2 3.26Å |
| 51 | D | 89.7 | Confident | 84 | Confident | 97 Ų | 97 | 73.8 Ų | 73.8 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.1 | -178.3 | -66.7 | 3.2 | 0 | 0 | 0 | 110 | Y169 | D51-Y169 WeakPolarHBondContact OD1-CD1 3.2Å; D51-Y169 WeakPolarHBondContact OD1-CE1 3.48Å |
| 52 | V | 88.7 | Confident | 84.1 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 29% | 0.285 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 106.8 | 175 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | E50 S168 L170 | E50-V52 PolarHBondContact O-N 3.3Å; V52-S168 WeakPolarHBondContact CB-OG 3.49Å; V52-S168 PolarHBondContact N-O 3.22Å; V52-S168 PolarHBondContact O-N 3.29Å; V52-S168 VanDerWaalsContact O-O 3.13Å; V52-S168 PolarHBondContact O-OG 2.85Å; V52-L170 HydrophobicContact CG2-CB 4.06Å |
| 53 | V | 86.8 | Confident | 84.5 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 112.4 | -179.1 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | V55 K165 T167 | V53-V55 HydrophobicContact CG1-CG2 4.27Å; V53-K165 HydrophobicContact CG1-CB 4.23Å; V53-T167 HydrophobicContact CG2-CG2 4.13Å |
| 54 | E | 83 | Confident | 85.1 | Confident | 84 Ų | 84 | 64.2 Ų | 64.2 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127 | 171.9 | -70.5 | 175.6 | -153.5 | 0 | 0 | 109.3 | K18 H166 | K18-E54 IonicContact NZ-OE1 2.8Å; K18-E54 PolarHBondContact NZ-OE1 2.86Å; E54-H166 PolarHBondContact N-O 2.89Å; E54-H166 PolarHBondContact O-N 2.87Å |
| 55 | V | 83.2 | Confident | 85.9 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 38% | 0.382 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 105.5 | -178.7 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | V53 E163 K165 | V53-V55 HydrophobicContact CG1-CG2 4.27Å; V55-E163 HydrophobicContact CG1-CB 3.78Å; V55-E163 HydrophobicContact CG1-CG 3.67Å; V55-K165 HydrophobicContact CG2-CG 4.28Å |
| 56 | I | 82.2 | Confident | 86.5 | Confident | 94 Ų | 94 | 63.1 Ų | 63.1 | 48% | 0.482 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.3 | 178.2 | -56.8 | 173.4 | 0 | 0 | 0 | 108.2 | L164 | I56-L164 PolarHBondContact N-O 3.37Å; I56-L164 PolarHBondContact O-N 3.38Å |
| 57 | L | 83.8 | Confident | 86.7 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.1 | 171.3 | -78.7 | 166.9 | 0 | 0 | 0 | 109.2 | V140 L147 K152 V161 E163 | L57-V140 HydrophobicContact CB-CG1 4.1Å; L57-L147 HydrophobicContact CD1-CD1 4.16Å; L57-K152 HydrophobicContact CD1-CD 4.24Å; L57-K152 HydrophobicContact CD1-CG 4.07Å; L57-K152 HydrophobicContact CD2-CG 4.16Å; L57-V161 HydrophobicContact CD2-CB 4.23Å; L57-V161 HydrophobicContact CD2-CG2 4.06Å; L57-E163 HydrophobicContact CD2-CG 3.65Å; L57-E163 HydrophobicContact CG-CG 4.46Å |
| 58 | Q | 85.3 | Confident | 86.7 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143.9 | 172.3 | -166.6 | 180 | 4.3 | 0 | 0 | 110 | V161 T162 L164 | Q58-V161 CarbonylContact O-C 3.37Å; Q58-V161 VanDerWaalsContact O-CA 3.32Å; Q58-V161 WeakPolarHBondContact O-CA 3.17Å; Q58-T162 PolarHBondContact N-O 3.14Å; Q58-T162 PolarHBondContact O-N 3.27Å; Q58-T162 PolarHBondContact O-OG1 3.12Å; Q58-L164 HydrophobicContact CB-CD1 4.39Å; Q58-L164 HydrophobicContact CB-CG 4.41Å |
| 59 | L | 86.6 | Confident | 86.7 | Confident | 26 Ų | 26 | 65.7 Ų | 65.7 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 139.3 | 171.5 | -69.6 | 164.9 | 0 | 0 | 0 | 110.3 | L67 L137 V140 K141 V161 | L59-L67 HydrophobicContact CD1-CD2 4.36Å; L59-L137 HydrophobicContact CD2-CB 4.05Å; L59-L137 HydrophobicContact CD2-CD2 3.36Å; L59-L137 HydrophobicContact CD2-CG 4.23Å; L59-V140 HydrophobicContact CD2-CG1 4.47Å; L59-V140 HydrophobicContact CG-CG1 4.43Å; L59-K141 HydrophobicContact CD1-CB 3.8Å; L59-K141 HydrophobicContact CD1-CD 3.91Å; L59-K141 HydrophobicContact CD1-CG 4.02Å; L59-V161 HydrophobicContact CD2-CG1 4.01Å |
| 60 | T | 89.1 | Confident | 86.6 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 17% | 0.172 | 33% | 0.334 | C | S | . | . | trans | -77.3 | 167 | 167.1 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | E62 G63 D64 K159 L160 T162 | T60-E62 VanDerWaalsContact C-N 3.28Å; T60-E62 PolarHBondContact O-N 2.85Å; T60-G63 CarbonylContact O-C 3.59Å; T60-G63 WeakPolarHBondContact O-CA 3.44Å; T60-G63 PolarHBondContact O-N 3.35Å; T60-G63 PolarHBondContact OG1-N 3.31Å; T60-G63 VanDerWaalsContact OG1-N 3.07Å; T60-D64 PolarHBondContact O-N 3.38Å; T60-K159 WeakPolarHBondContact CG2-O 3.48Å; T60-K159 PolarHBondContact OG1-O 3.27Å; T60-L160 PolarHBondContact N-O 2.8Å; T60-L160 WeakPolarHBondContact OG1-CA 3.12Å; T60-L160 PolarHBondContact OG1-O 2.94Å; T60-T162 HydrophobicContact CG2-CG2 3.59Å | ||
| 61 | E | 87.8 | Confident | 86.6 | Confident | 187 Ų | 187 | 59.5 Ų | 59.5 | 87% | 0.874 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -55 | -42.9 | 174 | -64.1 | -180 | 174.2 | 0 | 0 | 112.1 | G63 D64 E65 | E61-G63 VanDerWaalsContact C-N 3.34Å; E61-G63 PolarHBondContact O-N 2.86Å; E61-D64 PolarHBondContact O-N 3.48Å; E61-E65 PolarHBondContact O-N 3.33Å |
| 62 | E | 86.8 | Confident | 86.5 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 174.5 | -172.8 | 178.9 | 178.7 | 0 | 0 | 111.7 | T60 E65 I66 H72 L160 | T60-E62 VanDerWaalsContact C-N 3.28Å; T60-E62 PolarHBondContact O-N 2.85Å; E62-E65 PolarHBondContact O-N 2.88Å; E62-I66 HydrophobicContact CG-CD1 4.38Å; E62-I66 WeakPolarHBondContact O-CG1 3.49Å; E62-I66 PolarHBondContact O-N 3.46Å; E62-H72 IonicContact OE1-CD2 3.43Å; E62-H72 IonicContact OE1-CE1 3.55Å; E62-H72 IonicContact OE1-NE2 4Å; E62-H72 PolarHBondContact OE1-NE2 2.83Å; E62-L160 HydrophobicContact CG-CD2 4.09Å |
| 63 | G | 87.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | T60 E61 I66 L67 | T60-G63 CarbonylContact O-C 3.59Å; T60-G63 WeakPolarHBondContact O-CA 3.44Å; T60-G63 PolarHBondContact O-N 3.35Å; T60-G63 PolarHBondContact OG1-N 3.31Å; T60-G63 VanDerWaalsContact OG1-N 3.07Å; E61-G63 VanDerWaalsContact C-N 3.34Å; E61-G63 PolarHBondContact O-N 2.86Å; G63-I66 PolarHBondContact O-N 3.43Å; G63-L67 WeakPolarHBondContact O-CB 3.4Å; G63-L67 PolarHBondContact O-N 2.66Å |
| 64 | D | 88.3 | Confident | 86.6 | Confident | 57 Ų | 57 | 52.9 Ų | 52.9 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.5 | -33.9 | 176.3 | -158.4 | 61.3 | 0 | 0 | 0 | 111.5 | T60 E61 L67 N68 K141 | T60-D64 PolarHBondContact O-N 3.38Å; E61-D64 PolarHBondContact O-N 3.48Å; D64-L67 WeakPolarHBondContact O-CB 3.45Å; D64-L67 PolarHBondContact O-N 2.87Å; D64-N68 PolarHBondContact O-N 2.99Å; D64-N68 VanDerWaalsContact O-N 3.16Å; D64-N68 PolarHBondContact O-ND2 3.45Å; D64-N68 VanDerWaalsContact O-ND2 3.11Å; D64-K141 IonicContact OD1-NZ 3.71Å; D64-K141 PolarHBondContact OD1-NZ 2.92Å |
| 65 | E | 87 | Confident | 86.8 | Confident | 87 Ų | 87 | 51.5 Ų | 51.5 | 41% | 0.407 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 170.7 | -166.4 | -166.1 | 153.9 | 0 | 0 | 111.5 | E61 E62 L67 N68 S69 R75 | E61-E65 PolarHBondContact O-N 3.33Å; E62-E65 PolarHBondContact O-N 2.88Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.4Å; E65-N68 PolarHBondContact O-N 3.24Å; E65-S69 WeakPolarHBondContact O-CB 3.39Å; E65-S69 PolarHBondContact O-N 3.29Å; E65-S69 PolarHBondContact O-OG 2.94Å; E65-R75 IonicContact OE1-NH1 3.57Å; E65-R75 PolarHBondContact OE1-NH1 2.82Å; E65-R75 VanDerWaalsContact OE1-NH1 3.12Å |
| 66 | I | 87.4 | Confident | 87 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.7 | -37 | 177.5 | -72.4 | 178.8 | 0 | 0 | 0 | 111.2 | E62 G63 N68 G70 L137 L160 | E62-I66 HydrophobicContact CG-CD1 4.38Å; E62-I66 WeakPolarHBondContact O-CG1 3.49Å; E62-I66 PolarHBondContact O-N 3.46Å; G63-I66 PolarHBondContact O-N 3.43Å; I66-N68 PolarHBondContact O-N 3.19Å; I66-G70 CarbonylContact O-C 3.56Å; I66-G70 VanDerWaalsContact O-CA 3.23Å; I66-G70 WeakPolarHBondContact O-CA 3.21Å; I66-G70 PolarHBondContact O-N 3.35Å; I66-L137 HydrophobicContact CB-CD1 3.98Å; I66-L137 HydrophobicContact CG2-CD1 3.45Å; I66-L137 VanDerWaalsContact CG2-CD1 3.45Å; I66-L160 HydrophobicContact CD1-CD1 4.04Å; I66-L160 HydrophobicContact CD1-CD2 3.44Å; I66-L160 VanDerWaalsContact CD1-CD2 3.44Å; I66-L160 HydrophobicContact CD1-CG 4.38Å |
| 67 | L | 87 | Confident | 87.3 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 175.4 | -171.2 | 80.9 | 0 | 0 | 0 | 111.2 | L59 G63 D64 E65 Q134 L137 S138 K141 | L59-L67 HydrophobicContact CD1-CD2 4.36Å; G63-L67 WeakPolarHBondContact O-CB 3.4Å; G63-L67 PolarHBondContact O-N 2.66Å; D64-L67 WeakPolarHBondContact O-CB 3.45Å; D64-L67 PolarHBondContact O-N 2.87Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.4Å; L67-Q134 PolarHBondContact O-NE2 3.08Å; L67-L137 VanDerWaalsContact CD1-C 3.49Å; L67-L137 HydrophobicContact CD1-CB 3.77Å; L67-S138 VanDerWaalsContact CD1-N 3.29Å; L67-K141 HydrophobicContact CD2-CD 3.35Å |
| 68 | N | 86.6 | Confident | 87.5 | Confident | 118 Ų | 118 | 51.7 Ų | 51.7 | 63% | 0.631 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -82.1 | -37.2 | -178.4 | -65.8 | -36.2 | 0 | 0 | 0 | 113.4 | D64 E65 I66 | D64-N68 PolarHBondContact O-N 2.99Å; D64-N68 VanDerWaalsContact O-N 3.16Å; D64-N68 PolarHBondContact O-ND2 3.45Å; D64-N68 VanDerWaalsContact O-ND2 3.11Å; E65-N68 PolarHBondContact O-N 3.24Å; I66-N68 PolarHBondContact O-N 3.19Å |
| 69 | S | 85.2 | Confident | 87.6 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -102.5 | -10.2 | -171.4 | 65.3 | 0 | 0 | 0 | 0 | 115.1 | E65 R75 | E65-S69 WeakPolarHBondContact O-CB 3.39Å; E65-S69 PolarHBondContact O-N 3.29Å; E65-S69 PolarHBondContact O-OG 2.94Å; S69-R75 WeakPolarHBondContact O-CG 3.38Å; S69-R75 PolarHBondContact OG-NH1 3.17Å |
| 70 | G | 86.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | trans | 87.3 | 162.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I66 R75 D131 | I66-G70 CarbonylContact O-C 3.56Å; I66-G70 VanDerWaalsContact O-CA 3.23Å; I66-G70 WeakPolarHBondContact O-CA 3.21Å; I66-G70 PolarHBondContact O-N 3.35Å; G70-R75 WeakPolarHBondContact O-CD 3.14Å; G70-D131 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 71 | S | 89 | Confident | 87.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -64.5 | 151.7 | 179.3 | 65.5 | 0 | 0 | 0 | 0 | 112.3 | E73 Y74 R75 D131 | S71-E73 PolarHBondContact O-N 3.19Å; S71-Y74 PolarHBondContact O-N 3.45Å; S71-Y74 VanDerWaalsContact OG-CB 3.32Å; S71-Y74 WeakPolarHBondContact OG-CB 3.44Å; S71-Y74 PolarHBondContact OG-N 2.91Å; S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 WeakPolarHBondContact O-CG 3.43Å; S71-R75 PolarHBondContact O-N 3.21Å; S71-D131 WeakPolarHBondContact CB-OD1 3.22Å; S71-D131 PolarHBondContact N-OD2 3.08Å; S71-D131 PolarHBondContact OG-OD1 2.81Å; S71-D131 PolarHBondContact OG-OD2 2.74Å; S71-D131 VanDerWaalsContact OG-OD2 3.07Å | ||
| 72 | H | 88.5 | Confident | 86.7 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55 | -41.9 | 179.8 | -65.1 | -53 | 0 | 0 | 0 | 111.7 | E62 R75 V76 F94 | E62-H72 IonicContact OE1-CD2 3.43Å; E62-H72 IonicContact OE1-CE1 3.55Å; E62-H72 IonicContact OE1-NE2 4Å; E62-H72 PolarHBondContact OE1-NE2 2.83Å; H72-R75 PolarHBondContact O-N 3.42Å; H72-V76 WeakPolarHBondContact O-CG2 3.26Å; H72-V76 PolarHBondContact O-N 3.25Å; H72-F94 HydrophobicContact CB-CE2 4.14Å; H72-F94 AromaticContact ND1-CD2 3.96Å; H72-F94 AromaticContact ND1-CE2 3.47Å; H72-F94 WeakPolarHBondContact ND1-CE2 3.3Å |
| 73 | E | 88.8 | Confident | 86.3 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 175.5 | 51 | -94.1 | -136.8 | 0 | 0 | 113.2 | S71 V76 Y77 K103 A104 W109 R158 | S71-E73 PolarHBondContact O-N 3.19Å; E73-V76 PolarHBondContact O-N 2.86Å; E73-Y77 WeakPolarHBondContact O-CB 3.31Å; E73-Y77 PolarHBondContact O-N 3.27Å; E73-K103 HydrophobicContact CB-CB 4.01Å; E73-K103 HydrophobicContact CG-CB 4.46Å; E73-K103 VanDerWaalsContact OE2-CD 3.22Å; E73-K103 WeakPolarHBondContact OE2-CD 3.45Å; E73-K103 IonicContact OE2-NZ 2.81Å; E73-A104 HydrophobicContact CB-CB 4.15Å; E73-W109 HydrophobicContact CB-CE3 3.98Å; E73-W109 HydrophobicContact CB-CH2 4.4Å; E73-W109 HydrophobicContact CB-CZ3 3.56Å; E73-W109 HydrophobicContact CG-CE3 4.26Å; E73-W109 HydrophobicContact CG-CH2 3.76Å; E73-W109 HydrophobicContact CG-CZ3 3.38Å; E73-R158 IonicContact OE1-CZ 2.72Å; E73-R158 IonicContact OE1-NH1 2.68Å; E73-R158 PolarHBondContact OE1-NH1 2.72Å; E73-R158 IonicContact OE1-NH2 3.47Å; E73-R158 PolarHBondContact OE1-NH2 3.3Å; E73-R158 IonicContact OE2-NH1 2.81Å |
| 74 | Y | 88.8 | Confident | 86 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.1 | -38.9 | 177.1 | -175.4 | -108.8 | 0 | 0 | 0 | 112 | S71 V76 Y77 R78 V129 D131 | S71-Y74 PolarHBondContact O-N 3.45Å; S71-Y74 VanDerWaalsContact OG-CB 3.32Å; S71-Y74 WeakPolarHBondContact OG-CB 3.44Å; S71-Y74 PolarHBondContact OG-N 2.91Å; Y74-V76 PolarHBondContact O-N 3.32Å; Y74-Y77 PolarHBondContact O-N 3.44Å; Y74-R78 WeakPolarHBondContact O-CB 3.33Å; Y74-R78 PolarHBondContact O-N 2.94Å; Y74-V129 HydrophobicContact CD2-CG1 4.45Å; Y74-V129 WeakPolarHBondContact CE2-O 3.41Å; Y74-D131 WeakPolarHBondContact CB-OD2 3.19Å; Y74-D131 HydrophobicContact CD1-CB 4.23Å; Y74-D131 HydrophobicContact CD2-CB 4.08Å; Y74-D131 HydrophobicContact CG-CB 3.87Å |
| 75 | R | 88 | Confident | 85.8 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 173 | -71.7 | 175.1 | 67.6 | 173.4 | -0.3 | 111.5 | E65 S69 G70 S71 H72 A79 F94 | E65-R75 IonicContact OE1-NH1 3.57Å; E65-R75 PolarHBondContact OE1-NH1 2.82Å; E65-R75 VanDerWaalsContact OE1-NH1 3.12Å; S69-R75 WeakPolarHBondContact O-CG 3.38Å; S69-R75 PolarHBondContact OG-NH1 3.17Å; G70-R75 WeakPolarHBondContact O-CD 3.14Å; S71-R75 WeakPolarHBondContact O-CB 3.3Å; S71-R75 WeakPolarHBondContact O-CG 3.43Å; S71-R75 PolarHBondContact O-N 3.21Å; H72-R75 PolarHBondContact O-N 3.42Å; R75-A79 WeakPolarHBondContact O-CB 3.19Å; R75-A79 PolarHBondContact O-N 3.41Å; R75-A79 VanDerWaalsContact O-N 3.09Å; R75-F94 HydrophobicContact CB-CE1 3.8Å; R75-F94 HydrophobicContact CB-CE2 4.34Å; R75-F94 HydrophobicContact CB-CZ 3.65Å |
| 76 | V | 87.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 173.4 | 170.7 | 0 | 0 | 0 | 0 | 111 | H72 E73 Y74 R78 A79 I80 I90 F94 I101 I110 | H72-V76 WeakPolarHBondContact O-CG2 3.26Å; H72-V76 PolarHBondContact O-N 3.25Å; E73-V76 PolarHBondContact O-N 2.86Å; Y74-V76 PolarHBondContact O-N 3.32Å; V76-R78 VanDerWaalsContact C-N 3.34Å; V76-R78 PolarHBondContact O-N 2.96Å; V76-A79 PolarHBondContact O-N 3.14Å; V76-I80 HydrophobicContact CG1-CD1 4Å; V76-I80 WeakPolarHBondContact O-CG1 3.34Å; V76-I80 PolarHBondContact O-N 3.13Å; V76-I90 HydrophobicContact CG1-CD1 4.26Å; V76-I90 HydrophobicContact CG1-CG2 4.23Å; V76-I90 HydrophobicContact CG2-CG2 4.11Å; V76-F94 HydrophobicContact CG2-CE1 4.01Å; V76-F94 HydrophobicContact CG2-CZ 3.67Å; V76-I101 HydrophobicContact CG1-CG1 3.89Å; V76-I101 HydrophobicContact CG2-CG1 4.07Å; V76-I110 HydrophobicContact CG1-CD1 3.92Å |
| 77 | Y | 87.4 | Confident | 85.6 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 179.1 | 175.6 | -97.8 | 0 | 0 | 0 | 111.6 | E73 Y74 A79 I80 W109 I110 R124 V126 P127 E128 V129 | E73-Y77 WeakPolarHBondContact O-CB 3.31Å; E73-Y77 PolarHBondContact O-N 3.27Å; Y74-Y77 PolarHBondContact O-N 3.44Å; Y77-A79 VanDerWaalsContact C-N 3.29Å; Y77-A79 PolarHBondContact O-N 2.81Å; Y77-I80 PolarHBondContact O-N 3.35Å; Y77-W109 HydrophobicContact CD2-CB 4.27Å; Y77-I110 HydrophobicContact CD2-CG2 4.28Å; Y77-R124 HydrophobicContact CD2-CG 4.05Å; Y77-R124 HydrophobicContact CE2-CB 4.06Å; Y77-R124 HydrophobicContact CE2-CG 3.68Å; Y77-R124 VanDerWaalsContact O-CZ 3.25Å; Y77-R124 PolarHBondContact O-NE 3.25Å; Y77-R124 PolarHBondContact O-NH2 3.14Å; Y77-V126 WeakPolarHBondContact CE2-O 3.5Å; Y77-V126 PolarHBondContact OH-O 3.4Å; Y77-P127 PolarHBondContact OH-O 2.69Å; Y77-E128 PolarHBondContact OH-N 2.82Å; Y77-V129 HydrophobicContact CD1-CB 4.07Å; Y77-V129 HydrophobicContact CD1-CG2 4.11Å; Y77-V129 HydrophobicContact CD2-CG2 3.86Å; Y77-V129 HydrophobicContact CE1-CB 4.01Å; Y77-V129 HydrophobicContact CE1-CG2 3.91Å; Y77-V129 HydrophobicContact CE2-CG2 3.63Å; Y77-V129 HydrophobicContact CG-CB 4.4Å; Y77-V129 HydrophobicContact CG-CG2 4.1Å |
| 78 | R | 87.7 | Confident | 85.4 | Confident | 187 Ų | 187 | 51.9 Ų | 51.9 | 71% | 0.706 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.2 | -31.2 | 178.5 | -168 | 178.2 | -179.8 | -168.4 | 0.6 | 113 | Y74 V76 R124 | Y74-R78 WeakPolarHBondContact O-CB 3.33Å; Y74-R78 PolarHBondContact O-N 2.94Å; V76-R78 VanDerWaalsContact C-N 3.34Å; V76-R78 PolarHBondContact O-N 2.96Å; R78-R124 PolarHBondContact O-NH2 3.35Å |
| 79 | A | 86.8 | Confident | 85.3 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -76 | -18.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R75 V76 Y77 P81 I93 | R75-A79 WeakPolarHBondContact O-CB 3.19Å; R75-A79 PolarHBondContact O-N 3.41Å; R75-A79 VanDerWaalsContact O-N 3.09Å; V76-A79 PolarHBondContact O-N 3.14Å; Y77-A79 VanDerWaalsContact C-N 3.29Å; Y77-A79 PolarHBondContact O-N 2.81Å; A79-P81 WeakPolarHBondContact O-CD 3.45Å; A79-I93 HydrophobicContact CB-CD1 3.78Å |
| 80 | I | 84.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | trans | -84.1 | 114 | -178.3 | -64.6 | 159.9 | 0 | 0 | 0 | 110.3 | V76 Y77 I85 I90 I110 L122 R124 | V76-I80 HydrophobicContact CG1-CD1 4Å; V76-I80 WeakPolarHBondContact O-CG1 3.34Å; V76-I80 PolarHBondContact O-N 3.13Å; Y77-I80 PolarHBondContact O-N 3.35Å; I80-I85 HydrophobicContact CB-CG2 4.36Å; I80-I85 HydrophobicContact CG1-CG2 3.93Å; I80-I85 HydrophobicContact CG2-CG2 4.35Å; I80-I90 HydrophobicContact CD1-CD1 3.96Å; I80-I90 HydrophobicContact CG1-CD1 3.45Å; I80-I90 VanDerWaalsContact CG1-CD1 3.45Å; I80-I110 HydrophobicContact CD1-CB 4.14Å; I80-I110 HydrophobicContact CD1-CD1 4.27Å; I80-I110 HydrophobicContact CD1-CG2 3.46Å; I80-I110 VanDerWaalsContact CD1-CG2 3.46Å; I80-L122 HydrophobicContact CD1-CB 3.98Å; I80-L122 HydrophobicContact CG1-CB 4.41Å; I80-L122 WeakPolarHBondContact CG2-O 3.44Å; I80-R124 HydrophobicContact CB-CG 4.19Å; I80-R124 HydrophobicContact CG2-CG 3.99Å; I80-R124 PolarHBondContact O-NE 3.47Å; I80-R124 PolarHBondContact O-NH2 2.84Å | ||
| 81 | P | 82.6 | Confident | 85 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 36% | 0.357 | 26% | 0.263 | S | S | . | . | trans | -68.7 | 162.5 | 171.4 | 30 | -33.4 | 0 | 0 | 0 | 111.3 | A79 S83 G84 I85 | A79-P81 WeakPolarHBondContact O-CD 3.45Å; P81-S83 PolarHBondContact O-N 3.01Å; P81-S83 VanDerWaalsContact O-N 3.17Å; P81-G84 PolarHBondContact O-N 3.29Å; P81-I85 HydrophobicContact CG-CB 4.36Å | ||
| 82 | E | 78.3 | Confident | 84.8 | Confident | 188 Ų | 188 | 58.1 Ų | 58.1 | 88% | 0.879 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.1 | 178.2 | -69.3 | -170.8 | 165.5 | 0 | 0 | 113.3 | G84 | E82-G84 PolarHBondContact O-N 2.79Š|
| 83 | S | 78.3 | Confident | 84.4 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 78% | 0.776 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -8 | 174.6 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | P81 | P81-S83 PolarHBondContact O-N 3.01Å; P81-S83 VanDerWaalsContact O-N 3.17Å |
| 84 | G | 80.9 | Confident | 84 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | trans | 74.5 | 162.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P81 E82 L122 | P81-G84 PolarHBondContact O-N 3.29Å; E82-G84 PolarHBondContact O-N 2.79Å; G84-L122 WeakPolarHBondContact CA-O 3.31Å | ||
| 85 | I | 84.5 | Confident | 83.4 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 142.5 | 177.9 | -169.9 | 172.8 | 0 | 0 | 0 | 110 | I80 P81 Q87 D89 I90 C121 L122 | I80-I85 HydrophobicContact CB-CG2 4.36Å; I80-I85 HydrophobicContact CG1-CG2 3.93Å; I80-I85 HydrophobicContact CG2-CG2 4.35Å; P81-I85 HydrophobicContact CG-CB 4.36Å; I85-Q87 PolarHBondContact O-N 3.14Å; I85-D89 HydrophobicContact CD1-CB 4Å; I85-D89 HydrophobicContact CG1-CB 4.05Å; I85-I90 HydrophobicContact CD1-CG1 4.41Å; I85-I90 HydrophobicContact CG2-CD1 3.46Å; I85-I90 VanDerWaalsContact CG2-CD1 3.46Å; I85-I90 HydrophobicContact CG2-CG1 3.49Å; I85-I90 VanDerWaalsContact CG2-CG1 3.49Å; I85-C121 WeakPolarHBondContact O-CA 3.25Å; I85-L122 PolarHBondContact N-O 2.9Å; I85-L122 VanDerWaalsContact N-O 3.14Å; I85-L122 PolarHBondContact O-N 3.09Å |
| 86 | P | 85 | Confident | 83.1 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 24% | 0.24 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 138.1 | 173.3 | -25.6 | 35.2 | 0 | 0 | 0 | 111.8 | S88 D89 V119 | P86-S88 PolarHBondContact O-N 3.33Å; P86-S88 VanDerWaalsContact O-N 3.12Å; P86-D89 PolarHBondContact O-N 3.05Å; P86-V119 HydrophobicContact CB-CG1 4.23Å |
| 87 | Q | 84.9 | Confident | 82.8 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.9 | -32.9 | 179.6 | -176 | -175.9 | -12.3 | 0 | 0 | 112.5 | I85 D89 I90 L91 I101 P120 L122 | I85-Q87 PolarHBondContact O-N 3.14Å; Q87-D89 PolarHBondContact O-N 3.15Å; Q87-I90 PolarHBondContact O-N 3.35Å; Q87-L91 HydrophobicContact CG-CD1 4.3Å; Q87-L91 WeakPolarHBondContact O-CG 3.32Å; Q87-L91 PolarHBondContact O-N 3.3Å; Q87-I101 HydrophobicContact CG-CD1 4.14Å; Q87-P120 HydrophobicContact CB-CG 4.36Å; Q87-P120 PolarHBondContact N-O 3.37Å; Q87-L122 HydrophobicContact CB-CD1 4.32Å; Q87-L122 HydrophobicContact CG-CD1 4.23Å |
| 88 | S | 83.4 | Confident | 82.8 | Confident | 58 Ų | 58 | 70.5 Ų | 70.5 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.1 | -30.7 | 178.5 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | P86 | P86-S88 PolarHBondContact O-N 3.33Å; P86-S88 VanDerWaalsContact O-N 3.12Å |
| 89 | D | 84.6 | Confident | 82.7 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -84.1 | -35.9 | -175.4 | -63.6 | -24.7 | 0 | 0 | 0 | 111 | I85 P86 Q87 L91 K92 I93 | I85-D89 HydrophobicContact CD1-CB 4Å; I85-D89 HydrophobicContact CG1-CB 4.05Å; P86-D89 PolarHBondContact O-N 3.05Å; Q87-D89 PolarHBondContact O-N 3.15Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.25Å; D89-K92 PolarHBondContact O-N 3.05Å; D89-K92 VanDerWaalsContact O-N 3.17Å; D89-K92 IonicContact OD1-NZ 3.55Å; D89-I93 WeakPolarHBondContact O-CG1 3.3Å |
| 90 | I | 83 | Confident | 82.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 172.8 | -54.7 | -171.5 | 0 | 0 | 0 | 111.3 | V76 I80 I85 Q87 K92 I93 A97 I101 L122 | V76-I90 HydrophobicContact CG1-CD1 4.26Å; V76-I90 HydrophobicContact CG1-CG2 4.23Å; V76-I90 HydrophobicContact CG2-CG2 4.11Å; I80-I90 HydrophobicContact CD1-CD1 3.96Å; I80-I90 HydrophobicContact CG1-CD1 3.45Å; I80-I90 VanDerWaalsContact CG1-CD1 3.45Å; I85-I90 HydrophobicContact CD1-CG1 4.41Å; I85-I90 HydrophobicContact CG2-CD1 3.46Å; I85-I90 VanDerWaalsContact CG2-CD1 3.46Å; I85-I90 HydrophobicContact CG2-CG1 3.49Å; I85-I90 VanDerWaalsContact CG2-CG1 3.49Å; Q87-I90 PolarHBondContact O-N 3.35Å; I90-K92 PolarHBondContact O-N 2.88Å; I90-I93 PolarHBondContact O-N 3.24Å; I90-A97 HydrophobicContact CG2-CB 4.26Å; I90-A97 WeakPolarHBondContact O-CB 3.42Å; I90-I101 HydrophobicContact CB-CD1 4.38Å; I90-I101 HydrophobicContact CG2-CD1 4.18Å; I90-I101 HydrophobicContact CG2-CG1 4.39Å; I90-L122 HydrophobicContact CD1-CB 4.27Å; I90-L122 HydrophobicContact CD1-CD1 3.55Å |
| 91 | L | 82.9 | Confident | 82.8 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 39% | 0.387 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.7 | 179.2 | -74.9 | 168 | 0 | 0 | 0 | 113.1 | Q87 D89 K98 I101 | Q87-L91 HydrophobicContact CG-CD1 4.3Å; Q87-L91 WeakPolarHBondContact O-CG 3.32Å; Q87-L91 PolarHBondContact O-N 3.3Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.25Å; L91-K98 HydrophobicContact CD2-CB 3.78Å; L91-K98 HydrophobicContact CD2-CG 4.32Å; L91-I101 HydrophobicContact CD2-CD1 4.12Å; L91-I101 HydrophobicContact CG-CD1 4.24Å |
| 92 | K | 84 | Confident | 83.1 | Confident | 162 Ų | 162 | 65.6 Ų | 65.6 | 70% | 0.704 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -14 | 177.7 | -64 | 170.9 | -173 | 164 | 0 | 113.8 | D89 I90 | D89-K92 PolarHBondContact O-N 3.05Å; D89-K92 VanDerWaalsContact O-N 3.17Å; D89-K92 IonicContact OD1-NZ 3.55Å; I90-K92 PolarHBondContact O-N 2.88Å |
| 93 | I | 80.9 | Confident | 83.5 | Confident | 94 Ų | 94 | 58.3 Ų | 58.3 | 48% | 0.482 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -43.8 | -170.9 | -59.1 | 176.6 | 0 | 0 | 0 | 111.8 | A79 D89 I90 | A79-I93 HydrophobicContact CB-CD1 3.78Å; D89-I93 WeakPolarHBondContact O-CG1 3.3Å; I90-I93 PolarHBondContact O-N 3.24Å |
| 94 | F | 80.6 | Confident | 83.9 | Confident | 10 Ų | 10 | 53 Ų | 53 | 4% | 0.044 | 29% | 0.289 | C | S | . | . | trans | -151.6 | 146.2 | -179.6 | 65.1 | -85.7 | 0 | 0 | 0 | 113.7 | H72 R75 V76 G96 A97 | H72-F94 HydrophobicContact CB-CE2 4.14Å; H72-F94 AromaticContact ND1-CD2 3.96Å; H72-F94 AromaticContact ND1-CE2 3.47Å; H72-F94 WeakPolarHBondContact ND1-CE2 3.3Å; R75-F94 HydrophobicContact CB-CE1 3.8Å; R75-F94 HydrophobicContact CB-CE2 4.34Å; R75-F94 HydrophobicContact CB-CZ 3.65Å; V76-F94 HydrophobicContact CG2-CE1 4.01Å; V76-F94 HydrophobicContact CG2-CZ 3.67Å; F94-G96 PolarHBondContact O-N 2.64Å; F94-A97 HydrophobicContact CD1-CB 4.14Å; F94-A97 HydrophobicContact CD2-CB 4.36Å; F94-A97 HydrophobicContact CE1-CB 3.98Å; F94-A97 HydrophobicContact CE2-CB 4.2Å; F94-A97 HydrophobicContact CG-CB 4.34Å; F94-A97 HydrophobicContact CZ-CB 4.03Å; F94-A97 WeakPolarHBondContact O-CB 3.31Å; F94-A97 PolarHBondContact O-N 3.16Å | ||
| 95 | P | 76 | Confident | 84.3 | Confident | 118 Ų | 118 | 55.6 Ų | 55.6 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 99.5 | 173.7 | 27.9 | -32.2 | 0 | 0 | 0 | 109.1 | ||
| 96 | G | 81.3 | Confident | 84.4 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 136.9 | -13.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F94 K98 I99 G100 | F94-G96 PolarHBondContact O-N 2.64Å; G96-K98 PolarHBondContact O-N 3.45Å; G96-K98 VanDerWaalsContact O-N 3.13Å; G96-I99 WeakPolarHBondContact O-CB 3.43Å; G96-I99 PolarHBondContact O-N 2.94Å; G96-G100 PolarHBondContact O-N 3.12Å |
| 97 | A | 81.8 | Confident | 84.5 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.4 | -37.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I90 F94 I99 G100 I101 | I90-A97 HydrophobicContact CG2-CB 4.26Å; I90-A97 WeakPolarHBondContact O-CB 3.42Å; F94-A97 HydrophobicContact CD1-CB 4.14Å; F94-A97 HydrophobicContact CD2-CB 4.36Å; F94-A97 HydrophobicContact CE1-CB 3.98Å; F94-A97 HydrophobicContact CE2-CB 4.2Å; F94-A97 HydrophobicContact CG-CB 4.34Å; F94-A97 HydrophobicContact CZ-CB 4.03Å; F94-A97 WeakPolarHBondContact O-CB 3.31Å; F94-A97 PolarHBondContact O-N 3.16Å; A97-I99 VanDerWaalsContact C-N 3.34Å; A97-I99 PolarHBondContact O-N 3.24Å; A97-G100 PolarHBondContact O-N 3.26Å; A97-I101 VanDerWaalsContact O-CG1 3.24Å; A97-I101 WeakPolarHBondContact O-CG1 3.11Å; A97-I101 PolarHBondContact O-N 3.08Å |
| 98 | K | 86 | Confident | 84.6 | Confident | 164 Ų | 164 | 64.1 Ų | 64.1 | 71% | 0.713 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | 176.7 | -169.1 | 177.3 | 180 | -179.7 | 0 | 112.6 | L91 G96 S102 | L91-K98 HydrophobicContact CD2-CB 3.78Å; L91-K98 HydrophobicContact CD2-CG 4.32Å; G96-K98 PolarHBondContact O-N 3.45Å; G96-K98 VanDerWaalsContact O-N 3.13Å; K98-S102 PolarHBondContact O-N 3.39Å |
| 99 | I | 86 | Confident | 84.8 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.1 | -43.3 | 177.8 | -57.6 | 173.1 | 0 | 0 | 0 | 109.3 | G96 A97 S102 K103 | G96-I99 WeakPolarHBondContact O-CB 3.43Å; G96-I99 PolarHBondContact O-N 2.94Å; A97-I99 VanDerWaalsContact C-N 3.34Å; A97-I99 PolarHBondContact O-N 3.24Å; I99-S102 PolarHBondContact O-N 3.37Å; I99-K103 HydrophobicContact CG2-CD 4.38Å; I99-K103 PolarHBondContact O-N 3.21Å |
| 100 | G | 87.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G96 A97 S102 K103 A104 | G96-G100 PolarHBondContact O-N 3.12Å; A97-G100 PolarHBondContact O-N 3.26Å; G100-S102 PolarHBondContact O-N 2.93Å; G100-K103 PolarHBondContact O-N 2.93Å; G100-A104 WeakPolarHBondContact O-CB 3.48Å; G100-A104 PolarHBondContact O-N 2.76Å |
| 101 | I | 87.1 | Confident | 85.1 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 177.9 | -69.1 | 162.1 | 0 | 0 | 0 | 110.2 | V76 Q87 I90 L91 A97 K103 A104 L105 I110 L122 | V76-I101 HydrophobicContact CG1-CG1 3.89Å; V76-I101 HydrophobicContact CG2-CG1 4.07Å; Q87-I101 HydrophobicContact CG-CD1 4.14Å; I90-I101 HydrophobicContact CB-CD1 4.38Å; I90-I101 HydrophobicContact CG2-CD1 4.18Å; I90-I101 HydrophobicContact CG2-CG1 4.39Å; L91-I101 HydrophobicContact CD2-CD1 4.12Å; L91-I101 HydrophobicContact CG-CD1 4.24Å; A97-I101 VanDerWaalsContact O-CG1 3.24Å; A97-I101 WeakPolarHBondContact O-CG1 3.11Å; A97-I101 PolarHBondContact O-N 3.08Å; I101-K103 VanDerWaalsContact C-N 3.32Å; I101-K103 PolarHBondContact O-N 3.34Å; I101-A104 PolarHBondContact O-N 2.52Å; I101-L105 HydrophobicContact CG2-CD1 3.82Å; I101-L105 HydrophobicContact CG2-CG 4.4Å; I101-L105 WeakPolarHBondContact O-CB 3.44Å; I101-L105 VanDerWaalsContact O-CG 3.29Å; I101-L105 WeakPolarHBondContact O-CG 3.29Å; I101-L105 PolarHBondContact O-N 2.88Å; I101-I110 HydrophobicContact CG2-CD1 4.41Å; I101-L122 HydrophobicContact CD1-CD1 4.06Å; I101-L122 HydrophobicContact CG1-CD1 3.95Å; I101-L122 HydrophobicContact CG2-CD1 4.12Å; I101-L122 HydrophobicContact CG2-CD2 4.47Å |
| 102 | S | 87.7 | Confident | 85.2 | Confident | 80 Ų | 80 | 61.5 Ų | 61.5 | 56% | 0.559 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.7 | -41.6 | -179.5 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | K98 I99 G100 S106 | K98-S102 PolarHBondContact O-N 3.39Å; I99-S102 PolarHBondContact O-N 3.37Å; G100-S102 PolarHBondContact O-N 2.93Å; S102-S106 PolarHBondContact O-N 3.39Å; S102-S106 VanDerWaalsContact O-N 3.14Å |
| 103 | K | 87.1 | Confident | 85.1 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.2 | -43.5 | 179.2 | -76.7 | -178.9 | -179.3 | 173.4 | 0 | 112.2 | E73 I99 G100 I101 L105 S106 S107 R158 | E73-K103 HydrophobicContact CB-CB 4.01Å; E73-K103 HydrophobicContact CG-CB 4.46Å; E73-K103 VanDerWaalsContact OE2-CD 3.22Å; E73-K103 WeakPolarHBondContact OE2-CD 3.45Å; E73-K103 IonicContact OE2-NZ 2.81Å; I99-K103 HydrophobicContact CG2-CD 4.38Å; I99-K103 PolarHBondContact O-N 3.21Å; G100-K103 PolarHBondContact O-N 2.93Å; I101-K103 VanDerWaalsContact C-N 3.32Å; I101-K103 PolarHBondContact O-N 3.34Å; K103-L105 VanDerWaalsContact C-N 3.29Å; K103-L105 PolarHBondContact O-N 3.46Å; K103-S106 WeakPolarHBondContact CA-OG 3.41Å; K103-S106 PolarHBondContact O-N 3.16Å; K103-S106 PolarHBondContact O-OG 3.1Å; K103-S107 PolarHBondContact O-N 3.42Å; K103-S107 PolarHBondContact O-OG 3.46Å; K103-R158 VanDerWaalsContact NZ-CZ 3.32Å; K103-R158 VanDerWaalsContact NZ-NH1 3.1Å |
| 104 | A | 87.5 | Confident | 85 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -36 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E73 G100 I101 K108 W109 I110 | E73-A104 HydrophobicContact CB-CB 4.15Å; G100-A104 WeakPolarHBondContact O-CB 3.48Å; G100-A104 PolarHBondContact O-N 2.76Å; I101-A104 PolarHBondContact O-N 2.52Å; A104-K108 PolarHBondContact O-N 2.89Å; A104-W109 HydrophobicContact CB-CB 4.41Å; A104-W109 HydrophobicContact CB-CE3 4.33Å; A104-W109 PolarHBondContact O-N 2.86Å; A104-I110 HydrophobicContact CB-CD1 3.54Å; A104-I110 HydrophobicContact CB-CG1 3.75Å; A104-I110 HydrophobicContact CB-CG2 4.35Å |
| 105 | L | 88.4 | Confident | 84.7 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 36% | 0.356 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 170.5 | -74.6 | 167.9 | 0 | 0 | 0 | 111.4 | I101 K103 S107 K108 I110 L112 L122 | I101-L105 HydrophobicContact CG2-CD1 3.82Å; I101-L105 HydrophobicContact CG2-CG 4.4Å; I101-L105 WeakPolarHBondContact O-CB 3.44Å; I101-L105 VanDerWaalsContact O-CG 3.29Å; I101-L105 WeakPolarHBondContact O-CG 3.29Å; I101-L105 PolarHBondContact O-N 2.88Å; K103-L105 VanDerWaalsContact C-N 3.29Å; K103-L105 PolarHBondContact O-N 3.46Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 3.05Å; L105-K108 PolarHBondContact O-N 3.39Å; L105-K108 VanDerWaalsContact O-N 3.13Å; L105-I110 HydrophobicContact CD2-CG1 3.95Å; L105-I110 HydrophobicContact CG-CD1 4.23Å; L105-I110 HydrophobicContact CG-CG1 3.99Å; L105-L112 HydrophobicContact CD2-CB 4.41Å; L105-L122 HydrophobicContact CD2-CD2 4.45Å |
| 106 | S | 87.9 | Confident | 84.3 | Confident | 92 Ų | 92 | 68.1 Ų | 68.1 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65 | -33.1 | 178.3 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | S102 K103 K108 | S102-S106 PolarHBondContact O-N 3.39Å; S102-S106 VanDerWaalsContact O-N 3.14Å; K103-S106 WeakPolarHBondContact CA-OG 3.41Å; K103-S106 PolarHBondContact O-N 3.16Å; K103-S106 PolarHBondContact O-OG 3.1Å; S106-K108 VanDerWaalsContact C-N 3.28Å; S106-K108 PolarHBondContact O-N 3.28Å |
| 107 | S | 86.1 | Confident | 83.8 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.3 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 113.5 | K103 L105 W109 | K103-S107 PolarHBondContact O-N 3.42Å; K103-S107 PolarHBondContact O-OG 3.46Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 3.05Å; S107-W109 PolarHBondContact O-N 3.13Å |
| 108 | K | 86.7 | Confident | 83.2 | Confident | 162 Ų | 162 | 73.5 Ų | 73.5 | 70% | 0.704 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 29.5 | -177.3 | -54.4 | -179.4 | -178.9 | 178.7 | 0 | 114.4 | A104 L105 S106 | A104-K108 PolarHBondContact O-N 2.89Å; L105-K108 PolarHBondContact O-N 3.39Å; L105-K108 VanDerWaalsContact O-N 3.13Å; S106-K108 VanDerWaalsContact C-N 3.28Å; S106-K108 PolarHBondContact O-N 3.28Å |
| 109 | W | 87.4 | Confident | 82.8 | Confident | 37 Ų | 37 | 68.6 Ų | 68.6 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -79.5 | -32.8 | 176.1 | -63.1 | -8.5 | 0 | 0 | 0 | 112.1 | E73 Y77 A104 S107 L125 V129 | E73-W109 HydrophobicContact CB-CE3 3.98Å; E73-W109 HydrophobicContact CB-CH2 4.4Å; E73-W109 HydrophobicContact CB-CZ3 3.56Å; E73-W109 HydrophobicContact CG-CE3 4.26Å; E73-W109 HydrophobicContact CG-CH2 3.76Å; E73-W109 HydrophobicContact CG-CZ3 3.38Å; Y77-W109 HydrophobicContact CD2-CB 4.27Å; A104-W109 HydrophobicContact CB-CB 4.41Å; A104-W109 HydrophobicContact CB-CE3 4.33Å; A104-W109 PolarHBondContact O-N 2.86Å; S107-W109 PolarHBondContact O-N 3.13Å; W109-L125 PolarHBondContact O-N 3.41Å; W109-V129 HydrophobicContact CB-CG2 4.29Å; W109-V129 HydrophobicContact CD2-CB 4.44Å; W109-V129 HydrophobicContact CD2-CG1 3.48Å; W109-V129 VanDerWaalsContact CD2-CG1 3.48Å; W109-V129 HydrophobicContact CD2-CG2 4.11Å; W109-V129 HydrophobicContact CE3-CG1 3.65Å; W109-V129 HydrophobicContact CG-CG1 4.17Å; W109-V129 HydrophobicContact CG-CG2 3.94Å; W109-V129 HydrophobicContact CH2-CG1 3.48Å; W109-V129 VanDerWaalsContact CH2-CG1 3.48Å; W109-V129 HydrophobicContact CZ2-CG1 3.32Å; W109-V129 HydrophobicContact CZ3-CG1 3.63Å |
| 110 | I | 87.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.2 | -178 | 68.1 | -179.5 | 0 | 0 | 0 | 109.2 | V76 Y77 I80 I101 A104 L105 L122 H123 | V76-I110 HydrophobicContact CG1-CD1 3.92Å; Y77-I110 HydrophobicContact CD2-CG2 4.28Å; I80-I110 HydrophobicContact CD1-CB 4.14Å; I80-I110 HydrophobicContact CD1-CD1 4.27Å; I80-I110 HydrophobicContact CD1-CG2 3.46Å; I80-I110 VanDerWaalsContact CD1-CG2 3.46Å; I101-I110 HydrophobicContact CG2-CD1 4.41Å; A104-I110 HydrophobicContact CB-CD1 3.54Å; A104-I110 HydrophobicContact CB-CG1 3.75Å; A104-I110 HydrophobicContact CB-CG2 4.35Å; L105-I110 HydrophobicContact CD2-CG1 3.95Å; L105-I110 HydrophobicContact CG-CD1 4.23Å; L105-I110 HydrophobicContact CG-CG1 3.99Å; I110-L122 HydrophobicContact CD1-CD1 4.37Å; I110-L122 HydrophobicContact CD1-CD2 3.96Å; I110-L122 HydrophobicContact CG1-CD2 4.38Å; I110-H123 CarbonylContact C-O 3.52Å; I110-H123 VanDerWaalsContact CA-O 3.23Å; I110-H123 WeakPolarHBondContact CA-O 3.35Å |
| 111 | A | 86.4 | Confident | 82.4 | Confident | 22 Ų | 22 | 67 Ų | 67 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L122 H123 L125 | A111-L122 WeakPolarHBondContact O-CA 3.49Å; A111-H123 WeakPolarHBondContact CB-CE1 3.32Å; A111-H123 VanDerWaalsContact CB-NE2 3.34Å; A111-H123 WeakPolarHBondContact CB-NE2 3.49Å; A111-H123 PolarHBondContact N-O 3.49Å; A111-H123 PolarHBondContact O-CD2 3.07Å; A111-H123 PolarHBondContact O-N 3.36Å; A111-H123 PolarHBondContact O-NE2 2.81Å; A111-L125 HydrophobicContact CB-CD1 3.56Å; A111-L125 HydrophobicContact CB-CD2 4.41Å; A111-L125 HydrophobicContact CB-CG 3.81Å |
| 112 | L | 85.1 | Confident | 82.2 | Confident | 79 Ų | 79 | 66.7 Ų | 66.7 | 41% | 0.414 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 111.7 | -177.9 | -170.6 | 113.2 | 0 | 0 | 0 | 108.8 | L105 P120 C121 L122 | L105-L112 HydrophobicContact CD2-CB 4.41Å; L112-P120 HydrophobicContact CD1-CB 3.9Å; L112-P120 HydrophobicContact CD2-CB 4.06Å; L112-P120 HydrophobicContact CG-CB 4.03Å; L112-C121 WeakPolarHBondContact CA-O 3.36Å; L112-L122 HydrophobicContact CB-CD2 4.12Å; L112-L122 HydrophobicContact CD1-CD2 3.65Å; L112-L122 HydrophobicContact CD1-CG 4.26Å; L112-L122 HydrophobicContact CG-CD2 4.41Å |
| 113 | T | 81.8 | Confident | 82 | Confident | 70 Ų | 70 | 65.3 Ų | 65.3 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 155.4 | 171.6 | 40.2 | 0 | 0 | 0 | 0 | 110 | P120 C121 H123 | T113-P120 CarbonylContact O-C 3.53Å; T113-P120 WeakPolarHBondContact O-CA 3.27Å; T113-C121 PolarHBondContact N-O 3.19Å; T113-C121 PolarHBondContact O-N 2.74Å; T113-H123 WeakPolarHBondContact CG2-NE2 3.5Å; T113-H123 PolarHBondContact OG1-CD2 2.89Å; T113-H123 PolarHBondContact OG1-NE2 2.69Å |
| 114 | K | 79.8 | Confident | 82 | Confident | 170 Ų | 170 | 67.6 Ų | 67.6 | 74% | 0.739 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128 | 172.7 | -66.4 | -178.6 | -178.7 | -180 | 0 | 108.1 | ||
| 115 | N | 73.1 | Confident | 81.8 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | trans | -69.1 | 170.6 | 173 | -60.5 | 6 | 0 | 0 | 0 | 110.2 | A117 G118 V119 C121 | N115-A117 PolarHBondContact O-N 3.03Å; N115-A117 VanDerWaalsContact O-N 3.07Å; N115-G118 WeakPolarHBondContact O-CA 3.42Å; N115-G118 PolarHBondContact O-N 3.12Å; N115-V119 PolarHBondContact N-O 3.25Å; N115-C121 PolarHBondContact ND2-SG 2.98Å; N115-C121 WeakPolarHBondContact OD1-CB 3.49Å; N115-C121 PolarHBondContact OD1-SG 3.25Å | ||
| 116 | E | 68.6 | Low | 81.6 | Confident | 213 Ų | 213 | 71.9 Ų | 71.9 | 100% | 0.995 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -29.6 | 173.3 | -62.8 | -178.3 | 167.2 | 0 | 0 | 112.8 | G118 | E116-G118 VanDerWaalsContact C-N 3.29Å; E116-G118 PolarHBondContact O-N 3.44Å |
| 117 | A | 70 | Confident | 81.1 | Confident | 86 Ų | 86 | 73.1 Ų | 73.1 | 71% | 0.711 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 5.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | N115 V119 | N115-A117 PolarHBondContact O-N 3.03Å; N115-A117 VanDerWaalsContact O-N 3.07Å; A117-V119 HydrophobicContact CB-CG2 4.27Å; A117-V119 PolarHBondContact O-N 3.43Å |
| 118 | G | 69.9 | Low | 80.9 | Confident | 49 Ų | 49 | 78.7 Ų | 78.7 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 74.5 | 1.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N115 E116 | N115-G118 WeakPolarHBondContact O-CA 3.42Å; N115-G118 PolarHBondContact O-N 3.12Å; E116-G118 VanDerWaalsContact C-N 3.29Å; E116-G118 PolarHBondContact O-N 3.44Å |
| 119 | V | 77.7 | Confident | 80.6 | Confident | 61 Ų | 61 | 72 Ų | 72 | 37% | 0.37 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 131 | 178.5 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | P86 N115 A117 C121 | P86-V119 HydrophobicContact CB-CG1 4.23Å; N115-V119 PolarHBondContact N-O 3.25Å; A117-V119 HydrophobicContact CB-CG2 4.27Å; A117-V119 PolarHBondContact O-N 3.43Å; V119-C121 PolarHBondContact O-N 2.89Å |
| 120 | P | 81.7 | Confident | 80.5 | Confident | 42 Ų | 42 | 78 Ų | 78 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 116.5 | 176.1 | 27.3 | -32.1 | 0 | 0 | 0 | 111 | Q87 L112 T113 | Q87-P120 HydrophobicContact CB-CG 4.36Å; Q87-P120 PolarHBondContact N-O 3.37Å; L112-P120 HydrophobicContact CD1-CB 3.9Å; L112-P120 HydrophobicContact CD2-CB 4.06Å; L112-P120 HydrophobicContact CG-CB 4.03Å; T113-P120 CarbonylContact O-C 3.53Å; T113-P120 WeakPolarHBondContact O-CA 3.27Å |
| 121 | C | 83.2 | Confident | 80.4 | Confident | 10 Ų | 10 | 78.4 Ų | 78.4 | 7% | 0.068 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.7 | 170.2 | -87.9 | 0 | 0 | 0 | 0 | 111.7 | I85 L112 T113 N115 V119 | I85-C121 WeakPolarHBondContact O-CA 3.25Å; L112-C121 WeakPolarHBondContact CA-O 3.36Å; T113-C121 PolarHBondContact N-O 3.19Å; T113-C121 PolarHBondContact O-N 2.74Å; N115-C121 PolarHBondContact ND2-SG 2.98Å; N115-C121 WeakPolarHBondContact OD1-CB 3.49Å; N115-C121 PolarHBondContact OD1-SG 3.25Å; V119-C121 PolarHBondContact O-N 2.89Å |
| 122 | L | 83 | Confident | 80.4 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.7 | 173.2 | -68.1 | 166.4 | 0 | 0 | 0 | 109.2 | I80 G84 I85 Q87 I90 I101 L105 I110 A111 L112 | I80-L122 HydrophobicContact CD1-CB 3.98Å; I80-L122 HydrophobicContact CG1-CB 4.41Å; I80-L122 WeakPolarHBondContact CG2-O 3.44Å; G84-L122 WeakPolarHBondContact CA-O 3.31Å; I85-L122 PolarHBondContact N-O 2.9Å; I85-L122 VanDerWaalsContact N-O 3.14Å; I85-L122 PolarHBondContact O-N 3.09Å; Q87-L122 HydrophobicContact CB-CD1 4.32Å; Q87-L122 HydrophobicContact CG-CD1 4.23Å; I90-L122 HydrophobicContact CD1-CB 4.27Å; I90-L122 HydrophobicContact CD1-CD1 3.55Å; I101-L122 HydrophobicContact CD1-CD1 4.06Å; I101-L122 HydrophobicContact CG1-CD1 3.95Å; I101-L122 HydrophobicContact CG2-CD1 4.12Å; I101-L122 HydrophobicContact CG2-CD2 4.47Å; L105-L122 HydrophobicContact CD2-CD2 4.45Å; I110-L122 HydrophobicContact CD1-CD1 4.37Å; I110-L122 HydrophobicContact CD1-CD2 3.96Å; I110-L122 HydrophobicContact CG1-CD2 4.38Å; A111-L122 WeakPolarHBondContact O-CA 3.49Å; L112-L122 HydrophobicContact CB-CD2 4.12Å; L112-L122 HydrophobicContact CD1-CD2 3.65Å; L112-L122 HydrophobicContact CD1-CG 4.26Å; L112-L122 HydrophobicContact CG-CD2 4.41Å |
| 123 | H | 83.4 | Confident | 80.5 | Confident | 51 Ų | 51 | 78.8 Ų | 78.8 | 24% | 0.236 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150.3 | 175 | 55.3 | 103.4 | 0 | 0 | 0 | 110.1 | I110 A111 T113 | I110-H123 CarbonylContact C-O 3.52Å; I110-H123 VanDerWaalsContact CA-O 3.23Å; I110-H123 WeakPolarHBondContact CA-O 3.35Å; A111-H123 WeakPolarHBondContact CB-CE1 3.32Å; A111-H123 VanDerWaalsContact CB-NE2 3.34Å; A111-H123 WeakPolarHBondContact CB-NE2 3.49Å; A111-H123 PolarHBondContact N-O 3.49Å; A111-H123 PolarHBondContact O-CD2 3.07Å; A111-H123 PolarHBondContact O-N 3.36Å; A111-H123 PolarHBondContact O-NE2 2.81Å; T113-H123 WeakPolarHBondContact CG2-NE2 3.5Å; T113-H123 PolarHBondContact OG1-CD2 2.89Å; T113-H123 PolarHBondContact OG1-NE2 2.69Å |
| 124 | R | 86.2 | Confident | 80.8 | Confident | 83 Ų | 83 | 78.3 Ų | 78.3 | 31% | 0.313 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 135.2 | 175.4 | -66.7 | -178.9 | 175.5 | 160.6 | 5.8 | 109.7 | Y77 R78 I80 | Y77-R124 HydrophobicContact CD2-CG 4.05Å; Y77-R124 HydrophobicContact CE2-CB 4.06Å; Y77-R124 HydrophobicContact CE2-CG 3.68Å; Y77-R124 VanDerWaalsContact O-CZ 3.25Å; Y77-R124 PolarHBondContact O-NE 3.25Å; Y77-R124 PolarHBondContact O-NH2 3.14Å; R78-R124 PolarHBondContact O-NH2 3.35Å; I80-R124 HydrophobicContact CB-CG 4.19Å; I80-R124 HydrophobicContact CG2-CG 3.99Å; I80-R124 PolarHBondContact O-NE 3.47Å; I80-R124 PolarHBondContact O-NH2 2.84Å |
| 125 | L | 84 | Confident | 81 | Confident | 100 Ų | 100 | 75.5 Ų | 75.5 | 52% | 0.524 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -94.6 | -33.1 | 173.4 | -91.2 | 162 | 0 | 0 | 0 | 112.1 | W109 A111 | W109-L125 PolarHBondContact O-N 3.41Å; A111-L125 HydrophobicContact CB-CD1 3.56Å; A111-L125 HydrophobicContact CB-CD2 4.41Å; A111-L125 HydrophobicContact CB-CG 3.81Å |
| 126 | V | 83.6 | Confident | 81.6 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 35% | 0.352 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -114.8 | 141.3 | -175.7 | -170 | 0 | 0 | 0 | 0 | 107.8 | Y77 E128 V129 | Y77-V126 WeakPolarHBondContact CE2-O 3.5Å; Y77-V126 PolarHBondContact OH-O 3.4Å; V126-E128 VanDerWaalsContact CG1-O 3.3Å; V126-E128 WeakPolarHBondContact CG1-O 3.31Å; V126-V129 HydrophobicContact CB-CG2 4.42Å |
| 127 | P | 77.5 | Confident | 82.5 | Confident | 118 Ų | 118 | 63 Ų | 63 | 77% | 0.766 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -75.8 | -30.5 | -179.4 | 26.7 | -33.7 | 0 | 0 | 0 | 114 | Y77 | Y77-P127 PolarHBondContact OH-O 2.69Š|
| 128 | E | 81.5 | Confident | 83.2 | Confident | 170 Ų | 170 | 60.6 Ų | 60.6 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | trans | -138.6 | 138.4 | 178.7 | -68.8 | -173 | 167.2 | 0 | 0 | 111.2 | Y77 V126 | Y77-E128 PolarHBondContact OH-N 2.82Å; V126-E128 VanDerWaalsContact CG1-O 3.3Å; V126-E128 WeakPolarHBondContact CG1-O 3.31Å | ||
| 129 | V | 81.4 | Confident | 84 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 13% | 0.127 | 31% | 0.308 | C | S | . | . | trans | -130.9 | 137.6 | -178.8 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | Y74 Y77 W109 V126 | Y74-V129 HydrophobicContact CD2-CG1 4.45Å; Y74-V129 WeakPolarHBondContact CE2-O 3.41Å; Y77-V129 HydrophobicContact CD1-CB 4.07Å; Y77-V129 HydrophobicContact CD1-CG2 4.11Å; Y77-V129 HydrophobicContact CD2-CG2 3.86Å; Y77-V129 HydrophobicContact CE1-CB 4.01Å; Y77-V129 HydrophobicContact CE1-CG2 3.91Å; Y77-V129 HydrophobicContact CE2-CG2 3.63Å; Y77-V129 HydrophobicContact CG-CB 4.4Å; Y77-V129 HydrophobicContact CG-CG2 4.1Å; W109-V129 HydrophobicContact CB-CG2 4.29Å; W109-V129 HydrophobicContact CD2-CB 4.44Å; W109-V129 HydrophobicContact CD2-CG1 3.48Å; W109-V129 VanDerWaalsContact CD2-CG1 3.48Å; W109-V129 HydrophobicContact CD2-CG2 4.11Å; W109-V129 HydrophobicContact CE3-CG1 3.65Å; W109-V129 HydrophobicContact CG-CG1 4.17Å; W109-V129 HydrophobicContact CG-CG2 3.94Å; W109-V129 HydrophobicContact CH2-CG1 3.48Å; W109-V129 VanDerWaalsContact CH2-CG1 3.48Å; W109-V129 HydrophobicContact CZ2-CG1 3.32Å; W109-V129 HydrophobicContact CZ3-CG1 3.63Å; V126-V129 HydrophobicContact CB-CG2 4.42Å | ||
| 130 | K | 84.9 | Confident | 84.2 | Confident | 164 Ų | 164 | 57.1 Ų | 57.1 | 71% | 0.713 | 29% | 0.294 | S | S | * | . | trans | -96.9 | 137.3 | 172.4 | -65.4 | -176.8 | -179.9 | -179.9 | 0 | 110.2 | D132 | K130-D132 PolarHBondContact O-N 2.75Š| ||
| 131 | D | 86.3 | Confident | 84.3 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | trans | -87.6 | 80.7 | 179.1 | -167.1 | -7.6 | 0 | 0 | 0 | 111.5 | G70 S71 Y74 V133 Q134 Q135 | G70-D131 WeakPolarHBondContact CA-OD2 3.47Å; S71-D131 WeakPolarHBondContact CB-OD1 3.22Å; S71-D131 PolarHBondContact N-OD2 3.08Å; S71-D131 PolarHBondContact OG-OD1 2.81Å; S71-D131 PolarHBondContact OG-OD2 2.74Å; S71-D131 VanDerWaalsContact OG-OD2 3.07Å; Y74-D131 WeakPolarHBondContact CB-OD2 3.19Å; Y74-D131 HydrophobicContact CD1-CB 4.23Å; Y74-D131 HydrophobicContact CD2-CB 4.08Å; Y74-D131 HydrophobicContact CG-CB 3.87Å; D131-V133 PolarHBondContact O-N 2.91Å; D131-V133 PolarHBondContact OD1-N 3.18Å; D131-Q134 HydrophobicContact CB-CB 4.13Å; D131-Q134 VanDerWaalsContact CG-CB 3.48Å; D131-Q134 PolarHBondContact O-N 2.91Å; D131-Q134 PolarHBondContact OD1-N 3.39Å; D131-Q134 WeakPolarHBondContact OD2-CB 3.35Å; D131-Q135 PolarHBondContact O-N 3.12Å | ||
| 132 | D | 85.8 | Confident | 84.2 | Confident | 95 Ų | 95 | 64.9 Ų | 64.9 | 51% | 0.508 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.4 | -30.4 | -179.4 | -58.8 | -31.1 | 0 | 0 | 0 | 112.1 | K130 Q135 L136 | K130-D132 PolarHBondContact O-N 2.75Å; D132-Q135 PolarHBondContact O-N 2.94Å; D132-L136 WeakPolarHBondContact O-CB 3.24Å; D132-L136 WeakPolarHBondContact O-CD1 3.37Å; D132-L136 WeakPolarHBondContact O-CG 3.38Å; D132-L136 PolarHBondContact O-N 3.16Å |
| 133 | V | 86.8 | Confident | 83.8 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.1 | -41.8 | -176.7 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | D131 Q135 L136 L137 R158 L160 | D131-V133 PolarHBondContact O-N 2.91Å; D131-V133 PolarHBondContact OD1-N 3.18Å; V133-Q135 VanDerWaalsContact C-N 3.32Å; V133-L136 PolarHBondContact O-N 3.1Å; V133-L137 HydrophobicContact CG1-CD1 4.18Å; V133-L137 WeakPolarHBondContact O-CG 3.32Å; V133-L137 PolarHBondContact O-N 2.72Å; V133-R158 VanDerWaalsContact CG2-NH1 3.28Å; V133-L160 HydrophobicContact CG1-CD1 3.88Å |
| 134 | Q | 87.8 | Confident | 83.1 | Confident | 60 Ų | 60 | 75.4 Ų | 75.4 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 175.2 | -172.2 | -177.8 | 25.8 | 0 | 0 | 111.1 | L67 D131 L137 S138 | L67-Q134 PolarHBondContact O-NE2 3.08Å; D131-Q134 HydrophobicContact CB-CB 4.13Å; D131-Q134 VanDerWaalsContact CG-CB 3.48Å; D131-Q134 PolarHBondContact O-N 2.91Å; D131-Q134 PolarHBondContact OD1-N 3.39Å; D131-Q134 WeakPolarHBondContact OD2-CB 3.35Å; Q134-L137 PolarHBondContact O-N 2.68Å; Q134-S138 PolarHBondContact O-N 3.24Å |
| 135 | Q | 85.5 | Confident | 82.4 | Confident | 112 Ų | 112 | 76 Ų | 76 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -46 | 175.1 | -68.7 | -175.5 | -6.7 | 0 | 0 | 111.6 | D131 D132 V133 L137 S138 D139 | D131-Q135 PolarHBondContact O-N 3.12Å; D132-Q135 PolarHBondContact O-N 2.94Å; V133-Q135 VanDerWaalsContact C-N 3.32Å; Q135-L137 VanDerWaalsContact C-N 3.33Å; Q135-L137 PolarHBondContact O-N 3.23Å; Q135-S138 PolarHBondContact O-N 3.18Å; Q135-S138 VanDerWaalsContact O-N 3.14Å; Q135-S138 PolarHBondContact O-OG 2.98Å; Q135-D139 PolarHBondContact O-N 3.27Å |
| 136 | L | 85.8 | Confident | 81.8 | Confident | 19 Ų | 19 | 77.2 Ų | 77.2 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.5 | -42.7 | 175.2 | -75.7 | 165.6 | 0 | 0 | 0 | 112.8 | D132 V133 S138 D139 V140 L147 E151 L155 | D132-L136 WeakPolarHBondContact O-CB 3.24Å; D132-L136 WeakPolarHBondContact O-CD1 3.37Å; D132-L136 WeakPolarHBondContact O-CG 3.38Å; D132-L136 PolarHBondContact O-N 3.16Å; V133-L136 PolarHBondContact O-N 3.1Å; L136-S138 VanDerWaalsContact C-N 3.34Å; L136-D139 PolarHBondContact O-N 3.15Å; L136-V140 VanDerWaalsContact O-CG2 3.32Å; L136-V140 WeakPolarHBondContact O-CG2 3.42Å; L136-V140 PolarHBondContact O-N 3.43Å; L136-V140 VanDerWaalsContact O-N 3.07Å; L136-L147 HydrophobicContact CD2-CD2 3.51Å; L136-E151 HydrophobicContact CD2-CB 4.27Å; L136-E151 HydrophobicContact CD2-CG 4.26Å; L136-E151 WeakPolarHBondContact CD2-OE2 3.34Å; L136-L155 HydrophobicContact CB-CD1 4.38Å |
| 137 | L | 86.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.4 | -33 | 178.2 | -66.7 | 166.6 | 0 | 0 | 0 | 112.1 | L59 I66 L67 V133 Q134 Q135 V140 K141 L155 L160 V161 | L59-L137 HydrophobicContact CD2-CB 4.05Å; L59-L137 HydrophobicContact CD2-CD2 3.36Å; L59-L137 HydrophobicContact CD2-CG 4.23Å; I66-L137 HydrophobicContact CB-CD1 3.98Å; I66-L137 HydrophobicContact CG2-CD1 3.45Å; I66-L137 VanDerWaalsContact CG2-CD1 3.45Å; L67-L137 VanDerWaalsContact CD1-C 3.49Å; L67-L137 HydrophobicContact CD1-CB 3.77Å; V133-L137 HydrophobicContact CG1-CD1 4.18Å; V133-L137 WeakPolarHBondContact O-CG 3.32Å; V133-L137 PolarHBondContact O-N 2.72Å; Q134-L137 PolarHBondContact O-N 2.68Å; Q135-L137 VanDerWaalsContact C-N 3.33Å; Q135-L137 PolarHBondContact O-N 3.23Å; L137-V140 PolarHBondContact O-N 2.9Å; L137-K141 PolarHBondContact O-N 2.9Å; L137-L155 HydrophobicContact CD2-CD2 4.16Å; L137-L160 HydrophobicContact CD1-CD1 4.28Å; L137-L160 HydrophobicContact CD2-CB 3.92Å; L137-V161 HydrophobicContact CD2-CG1 4.08Å |
| 138 | S | 84.9 | Confident | 81.6 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 173.4 | 72.3 | 0 | 0 | 0 | 0 | 111.7 | L67 Q134 Q135 L136 V140 K141 E142 | L67-S138 VanDerWaalsContact CD1-N 3.29Å; Q134-S138 PolarHBondContact O-N 3.24Å; Q135-S138 PolarHBondContact O-N 3.18Å; Q135-S138 VanDerWaalsContact O-N 3.14Å; Q135-S138 PolarHBondContact O-OG 2.98Å; L136-S138 VanDerWaalsContact C-N 3.34Å; S138-V140 VanDerWaalsContact C-N 3.3Å; S138-V140 PolarHBondContact O-N 2.76Å; S138-K141 PolarHBondContact O-N 3.35Å; S138-E142 PolarHBondContact O-N 3Å |
| 139 | D | 85.3 | Confident | 81.6 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 13% | 0.134 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63 | -36.1 | 174.7 | -68.2 | -33.5 | 0 | 0 | 0 | 112.1 | Q135 L136 S143 R144 R145 | Q135-D139 PolarHBondContact O-N 3.27Å; L136-D139 PolarHBondContact O-N 3.15Å; D139-S143 WeakPolarHBondContact O-CA 3.45Å; D139-S143 PolarHBondContact O-N 2.9Å; D139-R144 PolarHBondContact O-N 2.93Å; D139-R145 HydrophobicContact CB-CG 3.98Å; D139-R145 IonicContact OD2-CZ 3.52Å; D139-R145 VanDerWaalsContact OD2-CZ 3.24Å; D139-R145 IonicContact OD2-NE 2.78Å; D139-R145 PolarHBondContact OD2-NE 3.02Å; D139-R145 IonicContact OD2-NH2 3.65Å; D139-R145 PolarHBondContact OD2-NH2 3.43Å |
| 140 | V | 83.2 | Confident | 81.8 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 173.3 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | L57 L59 L136 L137 S138 E142 S143 L147 L155 V161 | L57-V140 HydrophobicContact CB-CG1 4.1Å; L59-V140 HydrophobicContact CD2-CG1 4.47Å; L59-V140 HydrophobicContact CG-CG1 4.43Å; L136-V140 VanDerWaalsContact O-CG2 3.32Å; L136-V140 WeakPolarHBondContact O-CG2 3.42Å; L136-V140 PolarHBondContact O-N 3.43Å; L136-V140 VanDerWaalsContact O-N 3.07Å; L137-V140 PolarHBondContact O-N 2.9Å; S138-V140 VanDerWaalsContact C-N 3.3Å; S138-V140 PolarHBondContact O-N 2.76Å; V140-E142 PolarHBondContact O-N 3.31Å; V140-S143 PolarHBondContact O-N 3.4Å; V140-L147 HydrophobicContact CB-CD1 4.36Å; V140-L147 HydrophobicContact CG2-CD1 3.31Å; V140-L147 HydrophobicContact CG2-CD2 4.49Å; V140-L155 HydrophobicContact CG2-CD1 4.1Å; V140-V161 HydrophobicContact CG1-CG1 4.18Å; V140-V161 HydrophobicContact CG2-CG1 4.35Å |
| 141 | K | 83.9 | Confident | 81.7 | Confident | 114 Ų | 114 | 71 Ų | 71 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | -175.3 | -166.1 | 167 | -175 | 163.4 | 0 | 112.3 | L59 D64 L67 L137 S138 | L59-K141 HydrophobicContact CD1-CB 3.8Å; L59-K141 HydrophobicContact CD1-CD 3.91Å; L59-K141 HydrophobicContact CD1-CG 4.02Å; D64-K141 IonicContact OD1-NZ 3.71Å; D64-K141 PolarHBondContact OD1-NZ 2.92Å; L67-K141 HydrophobicContact CD2-CD 3.35Å; L137-K141 PolarHBondContact O-N 2.9Å; S138-K141 PolarHBondContact O-N 3.35Å |
| 142 | E | 80.1 | Confident | 81.5 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -92 | -1.1 | -177.6 | -64.7 | 177 | 123.5 | 0 | 0 | 113 | S138 V140 R144 | S138-E142 PolarHBondContact O-N 3Å; V140-E142 PolarHBondContact O-N 3.31Å; E142-R144 HydrophobicContact CB-CG 3.77Å; E142-R144 VanDerWaalsContact CD-CZ 3.43Å; E142-R144 PolarHBondContact O-N 3.28Å; E142-R144 VanDerWaalsContact O-N 3.12Å; E142-R144 IonicContact OE1-CZ 2.84Å; E142-R144 IonicContact OE1-NE 3.65Å; E142-R144 IonicContact OE1-NH2 3.7Å; E142-R144 PolarHBondContact OE1-NH2 3.29Å; E142-R144 WeakPolarHBondContact OE2-CD 3.21Å; E142-R144 IonicContact OE2-CZ 3.92Å; E142-R144 IonicContact OE2-NE 3.91Å; E142-R144 PolarHBondContact OE2-NE 2.9Å; E142-R144 IonicContact OE2-NH1 2.79Å; E142-R144 PolarHBondContact OE2-NH1 3.45Å; E142-R144 IonicContact OE2-NH2 3.5Å; E142-R144 PolarHBondContact OE2-NH2 3.44Å |
| 143 | S | 75.2 | Confident | 81.5 | Confident | 103 Ų | 103 | 70.3 Ų | 70.3 | 72% | 0.72 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 32.9 | -176.8 | -61.1 | 0 | 0 | 0 | 0 | 113.5 | D139 V140 R145 | D139-S143 WeakPolarHBondContact O-CA 3.45Å; D139-S143 PolarHBondContact O-N 2.9Å; V140-S143 PolarHBondContact O-N 3.4Å; S143-R145 PolarHBondContact O-N 3.4Å |
| 144 | R | 68.4 | Low | 81.4 | Confident | 170 Ų | 170 | 74.8 Ų | 74.8 | 64% | 0.642 | 38% | 0.384 | S | S | * | . | trans | -69.8 | -33.2 | -172.5 | -76.7 | 178.7 | 178.7 | 177.4 | 11.2 | 113.4 | D139 E142 | D139-R144 PolarHBondContact O-N 2.93Å; E142-R144 HydrophobicContact CB-CG 3.77Å; E142-R144 VanDerWaalsContact CD-CZ 3.43Å; E142-R144 PolarHBondContact O-N 3.28Å; E142-R144 VanDerWaalsContact O-N 3.12Å; E142-R144 IonicContact OE1-CZ 2.84Å; E142-R144 IonicContact OE1-NE 3.65Å; E142-R144 IonicContact OE1-NH2 3.7Å; E142-R144 PolarHBondContact OE1-NH2 3.29Å; E142-R144 WeakPolarHBondContact OE2-CD 3.21Å; E142-R144 IonicContact OE2-CZ 3.92Å; E142-R144 IonicContact OE2-NE 3.91Å; E142-R144 PolarHBondContact OE2-NE 2.9Å; E142-R144 IonicContact OE2-NH1 2.79Å; E142-R144 PolarHBondContact OE2-NH1 3.45Å; E142-R144 IonicContact OE2-NH2 3.5Å; E142-R144 PolarHBondContact OE2-NH2 3.44Å | ||
| 145 | R | 71.9 | Confident | 81.3 | Confident | 94 Ų | 94 | 72.1 Ų | 72.1 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -139.6 | 145.1 | 178.2 | 62.8 | 168.4 | 169.9 | 140.1 | -3.6 | 112.6 | D139 S143 L147 E151 | D139-R145 HydrophobicContact CB-CG 3.98Å; D139-R145 IonicContact OD2-CZ 3.52Å; D139-R145 VanDerWaalsContact OD2-CZ 3.24Å; D139-R145 IonicContact OD2-NE 2.78Å; D139-R145 PolarHBondContact OD2-NE 3.02Å; D139-R145 IonicContact OD2-NH2 3.65Å; D139-R145 PolarHBondContact OD2-NH2 3.43Å; S143-R145 PolarHBondContact O-N 3.4Å; R145-L147 PolarHBondContact O-N 3.44Å; R145-E151 IonicContact CZ-OE2 2.75Å; R145-E151 IonicContact NH1-OE1 2.86Å; R145-E151 IonicContact NH1-OE2 3.8Å; R145-E151 PolarHBondContact NH1-OE2 3.24Å; R145-E151 VanDerWaalsContact NH1-OE2 3.1Å; R145-E151 IonicContact NH2-OE2 3.5Å |
| 146 | P | 70.9 | Confident | 81.3 | Confident | 126 Ų | 126 | 70.6 Ų | 70.6 | 82% | 0.818 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 122.1 | 164.6 | 26.5 | -30.9 | 0 | 0 | 0 | 109 | ||
| 147 | L | 74.7 | Confident | 81.3 | Confident | 27 Ų | 27 | 78.1 Ų | 78.1 | 14% | 0.141 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 128.4 | 177.5 | -69.5 | 134.4 | 0 | 0 | 0 | 109.8 | L57 L136 V140 R145 E151 | L57-L147 HydrophobicContact CD1-CD1 4.16Å; L136-L147 HydrophobicContact CD2-CD2 3.51Å; V140-L147 HydrophobicContact CB-CD1 4.36Å; V140-L147 HydrophobicContact CG2-CD1 3.31Å; V140-L147 HydrophobicContact CG2-CD2 4.49Å; R145-L147 PolarHBondContact O-N 3.44Å; L147-E151 HydrophobicContact CD2-CB 4.32Å; L147-E151 WeakPolarHBondContact CD2-OE2 3.36Å |
| 148 | P | 81.6 | Confident | 81.2 | Confident | 66 Ų | 66 | 81.5 Ų | 81.5 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 145.8 | 169.5 | -22.6 | 30.9 | 0 | 0 | 0 | 111.9 | N150 E151 K152 | P148-N150 PolarHBondContact O-N 2.94Å; P148-E151 WeakPolarHBondContact CD-OE2 3.47Å; P148-E151 HydrophobicContact CG-CG 4.45Å; P148-E151 PolarHBondContact O-N 3.04Å; P148-K152 PolarHBondContact O-N 2.97Å; P148-K152 VanDerWaalsContact O-N 3.08Å |
| 149 | D | 82.2 | Confident | 81.3 | Confident | 133 Ų | 133 | 87.3 Ų | 87.3 | 71% | 0.711 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -54.9 | -32.3 | -178.1 | -74.7 | -37.3 | 0 | 0 | 0 | 113.3 | S153 | D149-S153 VanDerWaalsContact O-CB 3.3Å; D149-S153 WeakPolarHBondContact O-CB 3.49Å; D149-S153 PolarHBondContact O-N 2.81Å; D149-S153 PolarHBondContact O-OG 2.83Å |
| 150 | N | 85.1 | Confident | 81.3 | Confident | 124 Ų | 124 | 86.2 Ų | 86.2 | 66% | 0.663 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.5 | -48.4 | 174.7 | -75.2 | -15.6 | 0 | 0 | 0 | 111.9 | P148 S153 Q154 | P148-N150 PolarHBondContact O-N 2.94Å; N150-S153 PolarHBondContact O-N 3.14Å; N150-S153 PolarHBondContact O-OG 2.92Å; N150-Q154 WeakPolarHBondContact O-CG 3.36Å; N150-Q154 PolarHBondContact O-N 3.05Å; N150-Q154 VanDerWaalsContact O-N 3.09Å |
| 151 | E | 83.7 | Confident | 81.6 | Confident | 52 Ų | 52 | 85.9 Ų | 85.9 | 24% | 0.243 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 179.1 | -64.5 | -178.4 | 175.9 | 0 | 0 | 110.6 | L136 R145 L147 P148 S153 Q154 L155 | L136-E151 HydrophobicContact CD2-CB 4.27Å; L136-E151 HydrophobicContact CD2-CG 4.26Å; L136-E151 WeakPolarHBondContact CD2-OE2 3.34Å; R145-E151 IonicContact CZ-OE2 2.75Å; R145-E151 IonicContact NH1-OE1 2.86Å; R145-E151 IonicContact NH1-OE2 3.8Å; R145-E151 PolarHBondContact NH1-OE2 3.24Å; R145-E151 VanDerWaalsContact NH1-OE2 3.1Å; R145-E151 IonicContact NH2-OE2 3.5Å; L147-E151 HydrophobicContact CD2-CB 4.32Å; L147-E151 WeakPolarHBondContact CD2-OE2 3.36Å; P148-E151 WeakPolarHBondContact CD-OE2 3.47Å; P148-E151 HydrophobicContact CG-CG 4.45Å; P148-E151 PolarHBondContact O-N 3.04Å; E151-S153 VanDerWaalsContact C-N 3.32Å; E151-S153 PolarHBondContact O-N 2.93Å; E151-Q154 PolarHBondContact O-N 3.25Å; E151-Q154 VanDerWaalsContact O-N 3.15Å; E151-L155 WeakPolarHBondContact O-CG 3.44Å; E151-L155 PolarHBondContact O-N 2.88Å |
| 152 | K | 83.1 | Confident | 81.8 | Confident | 43 Ų | 43 | 83.6 Ų | 83.6 | 19% | 0.187 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.9 | -45 | 174.8 | -166.5 | -177.5 | -155.2 | -164.3 | 0 | 111.7 | L57 P148 Q154 L155 K156 E163 | L57-K152 HydrophobicContact CD1-CD 4.24Å; L57-K152 HydrophobicContact CD1-CG 4.07Å; L57-K152 HydrophobicContact CD2-CG 4.16Å; P148-K152 PolarHBondContact O-N 2.97Å; P148-K152 VanDerWaalsContact O-N 3.08Å; K152-Q154 VanDerWaalsContact C-N 3.33Å; K152-Q154 PolarHBondContact O-N 2.89Å; K152-L155 PolarHBondContact O-N 2.87Å; K152-K156 WeakPolarHBondContact O-CB 3.15Å; K152-K156 WeakPolarHBondContact O-CG 3.48Å; K152-K156 PolarHBondContact O-N 2.84Å; K152-E163 WeakPolarHBondContact CE-OE1 3.49Å; K152-E163 IonicContact NZ-OE1 2.65Å; K152-E163 PolarHBondContact NZ-OE1 3.36Å |
| 153 | S | 84.3 | Confident | 82.1 | Confident | 47 Ų | 47 | 81.7 Ų | 81.7 | 33% | 0.329 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 179 | 80.5 | 0 | 0 | 0 | 0 | 112.4 | D149 N150 E151 K157 | D149-S153 VanDerWaalsContact O-CB 3.3Å; D149-S153 WeakPolarHBondContact O-CB 3.49Å; D149-S153 PolarHBondContact O-N 2.81Å; D149-S153 PolarHBondContact O-OG 2.83Å; N150-S153 PolarHBondContact O-N 3.14Å; N150-S153 PolarHBondContact O-OG 2.92Å; E151-S153 VanDerWaalsContact C-N 3.32Å; E151-S153 PolarHBondContact O-N 2.93Å; S153-K157 WeakPolarHBondContact O-CB 3.4Å; S153-K157 VanDerWaalsContact O-CG 3.31Å; S153-K157 WeakPolarHBondContact O-CG 3.45Å; S153-K157 PolarHBondContact O-N 2.87Å |
| 154 | Q | 84.6 | Confident | 82.5 | Confident | 107 Ų | 107 | 81.1 Ų | 81.1 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.3 | -45.5 | 177.4 | -73 | -175.7 | 9.3 | 0 | 0 | 111.6 | N150 E151 K152 K156 K157 R158 | N150-Q154 WeakPolarHBondContact O-CG 3.36Å; N150-Q154 PolarHBondContact O-N 3.05Å; N150-Q154 VanDerWaalsContact O-N 3.09Å; E151-Q154 PolarHBondContact O-N 3.25Å; E151-Q154 VanDerWaalsContact O-N 3.15Å; K152-Q154 VanDerWaalsContact C-N 3.33Å; K152-Q154 PolarHBondContact O-N 2.89Å; Q154-K156 VanDerWaalsContact C-N 3.33Å; Q154-K156 PolarHBondContact O-N 3.42Å; Q154-K157 PolarHBondContact O-N 2.86Å; Q154-R158 WeakPolarHBondContact O-CB 3.42Å; Q154-R158 VanDerWaalsContact O-CG 3.26Å; Q154-R158 WeakPolarHBondContact O-CG 3.34Å; Q154-R158 PolarHBondContact O-N 2.96Å |
| 155 | L | 86.1 | Confident | 83.3 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.5 | -65.7 | 176.3 | 0 | 0 | 0 | 111.6 | L136 L137 V140 E151 K152 R158 K159 L160 V161 | L136-L155 HydrophobicContact CB-CD1 4.38Å; L137-L155 HydrophobicContact CD2-CD2 4.16Å; V140-L155 HydrophobicContact CG2-CD1 4.1Å; E151-L155 WeakPolarHBondContact O-CG 3.44Å; E151-L155 PolarHBondContact O-N 2.88Å; K152-L155 PolarHBondContact O-N 2.87Å; L155-R158 CarbonylContact O-C 3.43Å; L155-R158 PolarHBondContact O-N 2.65Å; L155-K159 PolarHBondContact O-N 2.66Å; L155-L160 HydrophobicContact CD2-CD1 4.26Å; L155-L160 PolarHBondContact O-N 2.87Å; L155-V161 HydrophobicContact CB-CG1 4.46Å; L155-V161 HydrophobicContact CB-CG2 3.49Å; L155-V161 VanDerWaalsContact CB-CG2 3.49Å; L155-V161 HydrophobicContact CD1-CG1 4.47Å |
| 156 | K | 86.3 | Confident | 84 | Confident | 81 Ų | 81 | 79.2 Ų | 79.2 | 35% | 0.352 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 172.9 | -76.9 | 179.3 | 178.3 | -177.1 | 0 | 113 | K152 Q154 R158 K159 V161 E163 | K152-K156 WeakPolarHBondContact O-CB 3.15Å; K152-K156 WeakPolarHBondContact O-CG 3.48Å; K152-K156 PolarHBondContact O-N 2.84Å; Q154-K156 VanDerWaalsContact C-N 3.33Å; Q154-K156 PolarHBondContact O-N 3.42Å; K156-R158 PolarHBondContact O-N 2.54Å; K156-K159 WeakPolarHBondContact O-CA 3.47Å; K156-K159 PolarHBondContact O-N 2.85Å; K156-V161 HydrophobicContact CG-CG2 4.15Å; K156-E163 WeakPolarHBondContact CE-OE1 3.27Å; K156-E163 WeakPolarHBondContact CE-OE2 3.47Å; K156-E163 IonicContact NZ-OE1 3.56Å; K156-E163 PolarHBondContact NZ-OE1 2.84Å; K156-E163 IonicContact NZ-OE2 2.81Å; K156-E163 PolarHBondContact NZ-OE2 3.4Å |
| 157 | K | 85.9 | Confident | 84.8 | Confident | 177 Ų | 177 | 75.7 Ų | 75.7 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.4 | -33 | 177.1 | -80.3 | 177.1 | 179.9 | 177.5 | 0 | 111.7 | S153 Q154 K159 | S153-K157 WeakPolarHBondContact O-CB 3.4Å; S153-K157 VanDerWaalsContact O-CG 3.31Å; S153-K157 WeakPolarHBondContact O-CG 3.45Å; S153-K157 PolarHBondContact O-N 2.87Å; Q154-K157 PolarHBondContact O-N 2.86Å; K157-K159 VanDerWaalsContact C-N 3.27Å |
| 158 | R | 84.5 | Confident | 85.5 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 27% | 0.268 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -0.9 | 175.5 | -66.9 | 171.5 | 172.8 | -136.3 | 1 | 113.7 | E73 K103 V133 Q154 L155 K156 L160 | E73-R158 IonicContact OE1-CZ 2.72Å; E73-R158 IonicContact OE1-NH1 2.68Å; E73-R158 PolarHBondContact OE1-NH1 2.72Å; E73-R158 IonicContact OE1-NH2 3.47Å; E73-R158 PolarHBondContact OE1-NH2 3.3Å; E73-R158 IonicContact OE2-NH1 2.81Å; K103-R158 VanDerWaalsContact NZ-CZ 3.32Å; K103-R158 VanDerWaalsContact NZ-NH1 3.1Å; V133-R158 VanDerWaalsContact CG2-NH1 3.28Å; Q154-R158 WeakPolarHBondContact O-CB 3.42Å; Q154-R158 VanDerWaalsContact O-CG 3.26Å; Q154-R158 WeakPolarHBondContact O-CG 3.34Å; Q154-R158 PolarHBondContact O-N 2.96Å; L155-R158 CarbonylContact O-C 3.43Å; L155-R158 PolarHBondContact O-N 2.65Å; K156-R158 PolarHBondContact O-N 2.54Å; R158-L160 HydrophobicContact CB-CD1 3.98Å; R158-L160 HydrophobicContact CB-CG 3.79Å; R158-L160 PolarHBondContact O-N 3.04Å |
| 159 | K | 85.8 | Confident | 85.9 | Confident | 158 Ų | 158 | 72.6 Ų | 72.6 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 27.4 | -175.7 | -57.4 | -176.7 | 178 | -177.4 | 0 | 114.5 | T60 L155 K156 K157 | T60-K159 WeakPolarHBondContact CG2-O 3.48Å; T60-K159 PolarHBondContact OG1-O 3.27Å; L155-K159 PolarHBondContact O-N 2.66Å; K156-K159 WeakPolarHBondContact O-CA 3.47Å; K156-K159 PolarHBondContact O-N 2.85Å; K157-K159 VanDerWaalsContact C-N 3.27Å |
| 160 | L | 86.6 | Confident | 86.4 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -88 | -24.5 | -178.3 | -56.9 | -178.4 | 0 | 0 | 0 | 112.8 | T60 E62 I66 V133 L137 L155 R158 | T60-L160 PolarHBondContact N-O 2.8Å; T60-L160 WeakPolarHBondContact OG1-CA 3.12Å; T60-L160 PolarHBondContact OG1-O 2.94Å; E62-L160 HydrophobicContact CG-CD2 4.09Å; I66-L160 HydrophobicContact CD1-CD1 4.04Å; I66-L160 HydrophobicContact CD1-CD2 3.44Å; I66-L160 VanDerWaalsContact CD1-CD2 3.44Å; I66-L160 HydrophobicContact CD1-CG 4.38Å; V133-L160 HydrophobicContact CG1-CD1 3.88Å; L137-L160 HydrophobicContact CD1-CD1 4.28Å; L137-L160 HydrophobicContact CD2-CB 3.92Å; L155-L160 HydrophobicContact CD2-CD1 4.26Å; L155-L160 PolarHBondContact O-N 2.87Å; R158-L160 HydrophobicContact CB-CD1 3.98Å; R158-L160 HydrophobicContact CB-CG 3.79Å; R158-L160 PolarHBondContact O-N 3.04Å |
| 161 | V | 88.5 | Confident | 86.7 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.6 | 178 | -67.2 | 0 | 0 | 0 | 0 | 110.4 | L57 Q58 L59 L137 V140 L155 K156 | L57-V161 HydrophobicContact CD2-CB 4.23Å; L57-V161 HydrophobicContact CD2-CG2 4.06Å; Q58-V161 CarbonylContact O-C 3.37Å; Q58-V161 VanDerWaalsContact O-CA 3.32Å; Q58-V161 WeakPolarHBondContact O-CA 3.17Å; L59-V161 HydrophobicContact CD2-CG1 4.01Å; L137-V161 HydrophobicContact CD2-CG1 4.08Å; V140-V161 HydrophobicContact CG1-CG1 4.18Å; V140-V161 HydrophobicContact CG2-CG1 4.35Å; L155-V161 HydrophobicContact CB-CG1 4.46Å; L155-V161 HydrophobicContact CB-CG2 3.49Å; L155-V161 VanDerWaalsContact CB-CG2 3.49Å; L155-V161 HydrophobicContact CD1-CG1 4.47Å; K156-V161 HydrophobicContact CG-CG2 4.15Å |
| 162 | T | 87.7 | Confident | 87 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 41% | 0.405 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.6 | 172.3 | 41.1 | 0 | 0 | 0 | 0 | 109.4 | Q58 T60 | Q58-T162 PolarHBondContact N-O 3.14Å; Q58-T162 PolarHBondContact O-N 3.27Å; Q58-T162 PolarHBondContact O-OG1 3.12Å; T60-T162 HydrophobicContact CG2-CG2 3.59Å |
| 163 | E | 86.7 | Confident | 87.3 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 118.6 | 171.4 | -78.5 | -179 | 166.3 | 0 | 0 | 109.9 | V55 L57 K152 K156 | V55-E163 HydrophobicContact CG1-CB 3.78Å; V55-E163 HydrophobicContact CG1-CG 3.67Å; L57-E163 HydrophobicContact CD2-CG 3.65Å; L57-E163 HydrophobicContact CG-CG 4.46Å; K152-E163 WeakPolarHBondContact CE-OE1 3.49Å; K152-E163 IonicContact NZ-OE1 2.65Å; K152-E163 PolarHBondContact NZ-OE1 3.36Å; K156-E163 WeakPolarHBondContact CE-OE1 3.27Å; K156-E163 WeakPolarHBondContact CE-OE2 3.47Å; K156-E163 IonicContact NZ-OE1 3.56Å; K156-E163 PolarHBondContact NZ-OE1 2.84Å; K156-E163 IonicContact NZ-OE2 2.81Å; K156-E163 PolarHBondContact NZ-OE2 3.4Å |
| 164 | L | 83.8 | Confident | 87.3 | Confident | 91 Ų | 91 | 64.4 Ų | 64.4 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.3 | 164.4 | -68.2 | -173.6 | 0 | 0 | 0 | 108.7 | I56 Q58 | I56-L164 PolarHBondContact N-O 3.37Å; I56-L164 PolarHBondContact O-N 3.38Å; Q58-L164 HydrophobicContact CB-CD1 4.39Å; Q58-L164 HydrophobicContact CB-CG 4.41Å |
| 165 | K | 85.5 | Confident | 87.2 | Confident | 148 Ų | 148 | 64.5 Ų | 64.5 | 64% | 0.643 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 110.3 | 172.5 | -62.9 | -172.6 | 178 | -177.4 | 0 | 108.3 | V53 V55 | V53-K165 HydrophobicContact CG1-CB 4.23Å; V55-K165 HydrophobicContact CG2-CG 4.28Å |
| 166 | H | 85.7 | Confident | 86.9 | Confident | 77 Ų | 77 | 67.8 Ų | 67.8 | 36% | 0.356 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 106.6 | 169.8 | -168.7 | 176.6 | 0 | 0 | 0 | 108.3 | E54 | E54-H166 PolarHBondContact N-O 2.89Å; E54-H166 PolarHBondContact O-N 2.87Å |
| 167 | T | 88.1 | Confident | 86.7 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | H30 V53 Y169 | H30-T167 PolarHBondContact NE2-O 3.36Å; H30-T167 VanDerWaalsContact NE2-O 3.1Å; V53-T167 HydrophobicContact CG2-CG2 4.13Å; T167-Y169 HydrophobicContact CG2-CE2 4.38Å |
| 168 | S | 90 | Very high | 86.4 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 154.9 | 173.2 | 50.6 | 0 | 0 | 0 | 0 | 109.8 | K18 D20 V52 | K18-S168 VanDerWaalsContact CE-CB 3.45Å; K18-S168 WeakPolarHBondContact CE-OG 3.38Å; D20-S168 WeakPolarHBondContact OD1-CB 3.17Å; V52-S168 WeakPolarHBondContact CB-OG 3.49Å; V52-S168 PolarHBondContact N-O 3.22Å; V52-S168 PolarHBondContact O-N 3.29Å; V52-S168 VanDerWaalsContact O-O 3.13Å; V52-S168 PolarHBondContact O-OG 2.85Å |
| 169 | Y | 90.8 | Very high | 86 | Confident | 28 Ų | 28 | 59.7 Ų | 59.7 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.4 | 178.5 | -65 | -89.9 | 0 | 0 | 0 | 109.4 | S19 V34 D51 T167 | S19-Y169 PolarHBondContact N-O 3.1Å; S19-Y169 PolarHBondContact OG-N 2.78Å; V34-Y169 HydrophobicContact CB-CE2 4.24Å; V34-Y169 HydrophobicContact CG1-CD2 4.27Å; V34-Y169 HydrophobicContact CG1-CE2 3.55Å; V34-Y169 HydrophobicContact CG2-CD2 3.74Å; V34-Y169 HydrophobicContact CG2-CE2 3.67Å; D51-Y169 WeakPolarHBondContact OD1-CD1 3.2Å; D51-Y169 WeakPolarHBondContact OD1-CE1 3.48Å; T167-Y169 HydrophobicContact CG2-CE2 4.38Å |
| 170 | L | 92.2 | Very high | 85.4 | Confident | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 108.1 | 168.3 | -178.1 | 69.9 | 0 | 0 | 0 | 108 | Y16 E50 V52 | Y16-L170 HydrophobicContact CD2-CD1 3.55Å; Y16-L170 HydrophobicContact CE2-CD1 4.24Å; Y16-L170 HydrophobicContact CG-CD1 4.3Å; E50-L170 HydrophobicContact CB-CB 4.31Å; E50-L170 PolarHBondContact N-O 3.32Å; E50-L170 PolarHBondContact O-N 3.08Å; V52-L170 HydrophobicContact CG2-CB 4.06Å |
| 171 | V | 90.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.5 | -175.4 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | L11 Y16 F17 I37 I47 | L11-V171 HydrophobicContact CD1-CG1 3.97Å; L11-V171 HydrophobicContact CD2-CG1 4.35Å; Y16-V171 VanDerWaalsContact CA-O 3.25Å; Y16-V171 WeakPolarHBondContact CA-O 3.45Å; F17-V171 HydrophobicContact CD1-CB 4.23Å; F17-V171 HydrophobicContact CE1-CB 3.64Å; F17-V171 HydrophobicContact CE1-CG1 3.84Å; F17-V171 HydrophobicContact CE1-CG2 4.29Å; F17-V171 HydrophobicContact CE2-CB 4.18Å; F17-V171 HydrophobicContact CE2-CG2 4.04Å; F17-V171 HydrophobicContact CZ-CB 3.61Å; F17-V171 HydrophobicContact CZ-CG1 3.99Å; F17-V171 HydrophobicContact CZ-CG2 3.72Å; F17-V171 PolarHBondContact N-O 3.04Å; F17-V171 VanDerWaalsContact N-O 3.1Å; F17-V171 PolarHBondContact O-N 3.19Å; I37-V171 HydrophobicContact CD1-CG2 3.56Å; I37-V171 HydrophobicContact CG1-CG2 3.96Å; I37-V171 HydrophobicContact CG2-CG2 4.13Å; I47-V171 HydrophobicContact CB-CG1 4.12Å; I47-V171 HydrophobicContact CD1-CG1 4.19Å; I47-V171 HydrophobicContact CG2-CG1 4.31Å |
| 172 | R | 90.7 | Very high | 83.6 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 41% | 0.408 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 161.9 | 178.4 | -52.8 | -174.2 | -169.8 | 179.2 | 9.5 | 110.7 | I47 Q48 E50 G174 | I47-R172 WeakPolarHBondContact CA-O 3.28Å; Q48-R172 HydrophobicContact CB-CB 4.35Å; Q48-R172 PolarHBondContact N-O 2.9Å; Q48-R172 PolarHBondContact O-N 3.17Å; E50-R172 IonicContact OE2-CZ 2.76Å; E50-R172 IonicContact OE2-NH2 3.42Å; E50-R172 PolarHBondContact OE2-NH2 3.26Å; R172-G174 PolarHBondContact O-N 2.88Å |
| 173 | K | 88.8 | Confident | 82.7 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 126.2 | 170.4 | -66.4 | 179.9 | -178.8 | 172.1 | 0 | 110.1 | L11 F177 | L11-K173 HydrophobicContact CB-CG 4.48Å; L11-K173 WeakPolarHBondContact O-CE 3.17Å; L11-K173 PolarHBondContact O-NZ 3.46Å; K173-F177 HydrophobicContact CB-CB 4.12Å; K173-F177 HydrophobicContact CB-CD2 4.33Å; K173-F177 HydrophobicContact CB-CG 4.14Å; K173-F177 HydrophobicContact CD-CD1 4.1Å; K173-F177 HydrophobicContact CD-CE1 4.34Å; K173-F177 HydrophobicContact CD-CG 4.33Å; K173-F177 HydrophobicContact CG-CB 4.46Å; K173-F177 HydrophobicContact CG-CD1 4.2Å; K173-F177 HydrophobicContact CG-CD2 4.02Å; K173-F177 HydrophobicContact CG-CE1 4.48Å; K173-F177 HydrophobicContact CG-CE2 4.32Å; K173-F177 HydrophobicContact CG-CG 3.95Å |
| 174 | G | 85.1 | Confident | 82.3 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 8% | 0.082 | 37% | 0.372 | C | S | . | . | trans | -77.8 | 172.2 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | G45 I46 R172 S176 F177 | G45-G174 CarbonylContact O-C 3.58Å; G45-G174 VanDerWaalsContact O-C 3.28Å; G45-G174 VanDerWaalsContact O-CA 3.3Å; G45-G174 WeakPolarHBondContact O-CA 3.32Å; I46-G174 WeakPolarHBondContact O-CA 3.42Å; I46-G174 PolarHBondContact O-N 2.9Å; R172-G174 PolarHBondContact O-N 2.88Å; G174-S176 PolarHBondContact O-N 2.78Å; G174-F177 WeakPolarHBondContact O-CB 3.44Å; G174-F177 PolarHBondContact O-N 2.74Å | ||
| 175 | P | 82.5 | Confident | 82.1 | Confident | 109 Ų | 109 | 70.9 Ų | 70.9 | 71% | 0.708 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.4 | -179 | 27 | -35.2 | 0 | 0 | 0 | 113.6 | G45 | G45-P175 WeakPolarHBondContact O-CD 3.33Š|
| 176 | S | 79.7 | Confident | 81.9 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 52% | 0.517 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 30.2 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | G45 G174 S178 | G45-S176 CarbonylContact O-C 3.55Å; G45-S176 WeakPolarHBondContact O-CA 3.35Å; G45-S176 PolarHBondContact O-N 2.96Å; G174-S176 PolarHBondContact O-N 2.78Å; S176-S178 PolarHBondContact O-N 2.84Å |
| 177 | F | 82 | Confident | 81.9 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 22% | 0.219 | 38% | 0.378 | C | S | . | . | trans | -55.1 | 123.1 | 178.6 | 179.4 | -99.4 | 0 | 0 | 0 | 111.3 | L8 L11 T12 I46 K173 G174 | L8-F177 HydrophobicContact CD2-CD2 4.37Å; L8-F177 HydrophobicContact CD2-CE2 3.76Å; L11-F177 HydrophobicContact CB-CE2 3.56Å; L11-F177 HydrophobicContact CB-CZ 3.64Å; L11-F177 HydrophobicContact CD1-CD2 4.47Å; L11-F177 HydrophobicContact CD1-CE2 3.81Å; L11-F177 HydrophobicContact CG-CE2 4.32Å; T12-F177 HydrophobicContact CG2-CE1 4.04Å; T12-F177 HydrophobicContact CG2-CZ 4.07Å; I46-F177 HydrophobicContact CG2-CD2 4.47Å; I46-F177 WeakPolarHBondContact O-CD2 3.38Å; K173-F177 HydrophobicContact CB-CB 4.12Å; K173-F177 HydrophobicContact CB-CD2 4.33Å; K173-F177 HydrophobicContact CB-CG 4.14Å; K173-F177 HydrophobicContact CD-CD1 4.1Å; K173-F177 HydrophobicContact CD-CE1 4.34Å; K173-F177 HydrophobicContact CD-CG 4.33Å; K173-F177 HydrophobicContact CG-CB 4.46Å; K173-F177 HydrophobicContact CG-CD1 4.2Å; K173-F177 HydrophobicContact CG-CD2 4.02Å; K173-F177 HydrophobicContact CG-CE1 4.48Å; K173-F177 HydrophobicContact CG-CE2 4.32Å; K173-F177 HydrophobicContact CG-CG 3.95Å; G174-F177 WeakPolarHBondContact O-CB 3.44Å; G174-F177 PolarHBondContact O-N 2.74Å | ||
| 178 | S | 78.5 | Confident | 81.9 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 36% | 0.357 | 39% | 0.386 | S | S | . | . | trans | -142.6 | 144.5 | 174.8 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | S176 N180 | S176-S178 PolarHBondContact O-N 2.84Å; S178-N180 VanDerWaalsContact C-N 3.29Å; S178-N180 PolarHBondContact OG-N 3.39Å; S178-N180 PolarHBondContact OG-O 2.75Å | ||
| 179 | T | 76.7 | Confident | 81.8 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 36% | 0.356 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -77.6 | -18 | 173.1 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | T12 | T12-T179 HydrophobicContact CG2-CG2 3.42Å; T12-T179 VanDerWaalsContact CG2-CG2 3.42Å |
| 180 | N | 72.9 | Confident | 81.9 | Confident | 122 Ų | 122 | 77.2 Ų | 77.2 | 65% | 0.652 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -106.7 | 104.4 | 178.1 | -77.5 | -24.5 | 0 | 0 | 0 | 109.8 | S178 K182 | S178-N180 VanDerWaalsContact C-N 3.29Å; S178-N180 PolarHBondContact OG-N 3.39Å; S178-N180 PolarHBondContact OG-O 2.75Å; N180-K182 PolarHBondContact O-N 3.2Å |
| 181 | I | 68.8 | Low | 81.7 | Confident | 49 Ų | 49 | 83 Ų | 83 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | trans | -71.1 | 108.9 | 173.5 | -55.6 | 173.8 | 0 | 0 | 0 | 107.9 | L8 L40 Y43 I46 | L8-I181 HydrophobicContact CD1-CD1 4.07Å; L8-I181 HydrophobicContact CD1-CG1 4.02Å; L40-I181 HydrophobicContact CD2-CD1 3.7Å; Y43-I181 HydrophobicContact CD1-CG2 3.69Å; Y43-I181 HydrophobicContact CD2-CG2 4.23Å; Y43-I181 HydrophobicContact CE1-CG2 3.29Å; Y43-I181 HydrophobicContact CE2-CD1 4.35Å; Y43-I181 HydrophobicContact CE2-CG2 3.89Å; Y43-I181 HydrophobicContact CG-CG2 4.14Å; Y43-I181 VanDerWaalsContact CZ-CG2 3.41Å; I46-I181 HydrophobicContact CD1-CG1 4.35Å | ||
| 182 | K | 68.5 | Low | 81.6 | Confident | 184 Ų | 184 | 83.9 Ų | 83.9 | 80% | 0.8 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -85.8 | 123.8 | 168.5 | -68.7 | -172.6 | 178.4 | -174.3 | 0 | 108.6 | N180 | N180-K182 PolarHBondContact O-N 3.2Š|
| 183 | S | 69.3 | Low | 81.5 | Confident | 96 Ų | 96 | 83.2 Ų | 83.2 | 67% | 0.671 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 135.8 | 170.4 | 48.4 | 0 | 0 | 0 | 0 | 110 | ||
| 184 | E | 77.3 | Confident | 81.6 | Confident | 80 Ų | 80 | 84.4 Ų | 84.4 | 37% | 0.374 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 142.6 | 168.6 | -63 | 179.9 | 161.8 | 0 | 0 | 109.5 | K202 K204 | E184-K202 WeakPolarHBondContact CA-O 3.48Å; E184-K202 WeakPolarHBondContact CB-O 3.35Å; E184-K202 HydrophobicContact CG-CB 4.4Å; E184-K204 HydrophobicContact CB-CB 4.27Å; E184-K204 WeakPolarHBondContact OE2-CA 3.17Å |
| 185 | E | 81.2 | Confident | 81.8 | Confident | 84 Ų | 84 | 87.1 Ų | 87.1 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 137.3 | 176.5 | -65.6 | -60.1 | 153.9 | 0 | 0 | 109.8 | L192 A201 K202 F203 K204 | E185-L192 HydrophobicContact CG-CD1 4.33Å; E185-A201 HydrophobicContact CG-CB 4.34Å; E185-K202 PolarHBondContact N-O 3.21Å; E185-F203 HydrophobicContact CB-CD1 3.72Å; E185-F203 HydrophobicContact CB-CE1 3.74Å; E185-F203 CarbonylContact O-C 3.28Å; E185-F203 VanDerWaalsContact O-CA 3.25Å; E185-F203 WeakPolarHBondContact O-CA 3.36Å; E185-K204 PolarHBondContact O-N 3.4Å |
| 186 | T | 80.6 | Confident | 82.1 | Confident | 95 Ų | 95 | 83.3 Ų | 83.3 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | trans | -85.8 | -42.6 | -176.3 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 187 | D | 85.6 | Confident | 82.3 | Confident | 117 Ų | 117 | 85.3 Ų | 85.3 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -136.1 | 156.4 | -174.8 | -70 | -54 | 0 | 0 | 0 | 110.4 | S189 | D187-S189 PolarHBondContact O-N 2.85Š|
| 188 | L | 89 | Confident | 82.6 | Confident | 94 Ų | 94 | 88.1 Ų | 88.1 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | trans | -79 | 111.4 | 175.6 | -167.8 | 71 | 0 | 0 | 0 | 109.9 | L193 W198 F203 | L188-L193 HydrophobicContact CD1-CD2 4.4Å; L188-L193 HydrophobicContact CD1-CG 4.41Å; L188-L193 HydrophobicContact CD2-CD1 4.1Å; L188-L193 HydrophobicContact CD2-CD2 3.81Å; L188-L193 HydrophobicContact CD2-CG 4.02Å; L188-L193 HydrophobicContact CG-CD1 4.31Å; L188-L193 HydrophobicContact CG-CD2 4.23Å; L188-L193 HydrophobicContact CG-CG 4.02Å; L188-W198 HydrophobicContact CD1-CB 3.68Å; L188-W198 HydrophobicContact CD1-CG 4.3Å; L188-F203 HydrophobicContact CD1-CE1 4.2Å; L188-F203 HydrophobicContact CD1-CZ 3.73Å | ||
| 189 | S | 87.5 | Confident | 83 | Confident | 44 Ų | 44 | 92.6 Ų | 92.6 | 31% | 0.308 | 50% | 0.502 | S | S | . | . | trans | -88.1 | 158.7 | 177.3 | 75.6 | 0 | 0 | 0 | 0 | 112.2 | D187 E191 L192 L193 | D187-S189 PolarHBondContact O-N 2.85Å; S189-E191 PolarHBondContact O-N 3.1Å; S189-L192 PolarHBondContact O-N 2.89Å; S189-L192 WeakPolarHBondContact OG-CG 3.43Å; S189-L192 PolarHBondContact OG-N 3.01Å; S189-L193 PolarHBondContact O-N 3.38Å | ||
| 190 | S | 91.9 | Very high | 83.4 | Confident | 89 Ų | 89 | 95.8 Ų | 95.8 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -28.8 | 174.1 | 52.2 | 0 | 0 | 0 | 0 | 113 | S194 | S190-S194 PolarHBondContact O-N 2.87Å; S190-S194 VanDerWaalsContact O-N 3.15Å; S190-S194 PolarHBondContact O-OG 3.42Å |
| 191 | E | 88.4 | Confident | 83.8 | Confident | 150 Ų | 150 | 91.5 Ų | 91.5 | 70% | 0.701 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.4 | -47 | 178.6 | -66.3 | 166.6 | -177.2 | 0 | 0 | 111 | S189 L193 S194 S195 | S189-E191 PolarHBondContact O-N 3.1Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 3.12Å; E191-S194 PolarHBondContact O-N 3.4Å; E191-S195 PolarHBondContact O-N 2.79Å; E191-S195 PolarHBondContact O-OG 2.84Å |
| 192 | L | 88.3 | Confident | 84.5 | Confident | 17 Ų | 17 | 96.4 Ų | 96.4 | 9% | 0.089 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 175.1 | -79.5 | 168.3 | 0 | 0 | 0 | 111.7 | E185 S189 S194 S195 G196 E197 W198 F203 | E185-L192 HydrophobicContact CG-CD1 4.33Å; S189-L192 PolarHBondContact O-N 2.89Å; S189-L192 WeakPolarHBondContact OG-CG 3.43Å; S189-L192 PolarHBondContact OG-N 3.01Å; L192-S194 VanDerWaalsContact C-N 3.32Å; L192-S195 PolarHBondContact O-OG 3.2Å; L192-G196 PolarHBondContact O-N 3.09Å; L192-G196 VanDerWaalsContact O-N 3.1Å; L192-E197 HydrophobicContact CD2-CB 3.92Å; L192-W198 HydrophobicContact CB-CB 4.29Å; L192-F203 HydrophobicContact CD1-CE1 4.3Å; L192-F203 HydrophobicContact CD1-CZ 4.43Å |
| 193 | L | 89.4 | Confident | 85.2 | Confident | 95 Ų | 95 | 91.1 Ų | 91.1 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 174.8 | -78.3 | 172.1 | 0 | 0 | 0 | 112.6 | L188 S189 E191 | L188-L193 HydrophobicContact CD1-CD2 4.4Å; L188-L193 HydrophobicContact CD1-CG 4.41Å; L188-L193 HydrophobicContact CD2-CD1 4.1Å; L188-L193 HydrophobicContact CD2-CD2 3.81Å; L188-L193 HydrophobicContact CD2-CG 4.02Å; L188-L193 HydrophobicContact CG-CD1 4.31Å; L188-L193 HydrophobicContact CG-CD2 4.23Å; L188-L193 HydrophobicContact CG-CG 4.02Å; S189-L193 PolarHBondContact O-N 3.38Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 3.12Å |
| 194 | S | 91.5 | Very high | 85.8 | Confident | 106 Ų | 106 | 93 Ų | 93 | 74% | 0.741 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -77.6 | -37.1 | -178.6 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | S190 E191 L192 | S190-S194 PolarHBondContact O-N 2.87Å; S190-S194 VanDerWaalsContact O-N 3.15Å; S190-S194 PolarHBondContact O-OG 3.42Å; E191-S194 PolarHBondContact O-N 3.4Å; L192-S194 VanDerWaalsContact C-N 3.32Å |
| 195 | S | 88.7 | Confident | 86.1 | Confident | 65 Ų | 65 | 93.4 Ų | 93.4 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79 | -22.8 | 179.8 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | E191 L192 E197 | E191-S195 PolarHBondContact O-N 2.79Å; E191-S195 PolarHBondContact O-OG 2.84Å; L192-S195 PolarHBondContact O-OG 3.2Å; S195-E197 PolarHBondContact O-N 3.22Å; S195-E197 WeakPolarHBondContact OG-CB 3Å; S195-E197 VanDerWaalsContact OG-CD 3.31Å; S195-E197 VanDerWaalsContact OG-CG 3.28Å; S195-E197 WeakPolarHBondContact OG-CG 3.35Å; S195-E197 PolarHBondContact OG-N 3.16Å; S195-E197 PolarHBondContact OG-OE2 3.4Å |
| 196 | G | 87.7 | Confident | 86.3 | Confident | 29 Ų | 29 | 96.6 Ų | 96.6 | 30% | 0.299 | 52% | 0.522 | S | S | . | . | S | Bend | trans | 80.1 | 1.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L192 W198 Q199 | L192-G196 PolarHBondContact O-N 3.09Å; L192-G196 VanDerWaalsContact O-N 3.1Å; G196-W198 PolarHBondContact O-N 3.33Å; G196-Q199 PolarHBondContact O-N 3.33Å |
| 197 | E | 85.7 | Confident | 86.7 | Confident | 116 Ų | 116 | 96.3 Ų | 96.3 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -66.1 | -20.2 | -179.4 | -69.9 | 167.9 | 153.5 | 0 | 0 | 113 | L192 S195 Q199 T200 A201 | L192-E197 HydrophobicContact CD2-CB 3.92Å; S195-E197 PolarHBondContact O-N 3.22Å; S195-E197 WeakPolarHBondContact OG-CB 3Å; S195-E197 VanDerWaalsContact OG-CD 3.31Å; S195-E197 VanDerWaalsContact OG-CG 3.28Å; S195-E197 WeakPolarHBondContact OG-CG 3.35Å; S195-E197 PolarHBondContact OG-N 3.16Å; S195-E197 PolarHBondContact OG-OE2 3.4Å; E197-Q199 PolarHBondContact O-N 3.41Å; E197-Q199 VanDerWaalsContact O-N 3.07Å; E197-T200 PolarHBondContact O-N 2.82Å; E197-T200 PolarHBondContact O-OG1 3.07Å; E197-A201 WeakPolarHBondContact O-CB 3.41Å; E197-A201 PolarHBondContact O-N 3.24Å |
| 198 | W | 88 | Confident | 87 | Confident | 109 Ų | 109 | 99 Ų | 99 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -57.2 | -23.4 | 175.2 | 72.5 | -90.9 | 0 | 0 | 0 | 113.6 | L188 L192 G196 T200 F203 | L188-W198 HydrophobicContact CD1-CB 3.68Å; L188-W198 HydrophobicContact CD1-CG 4.3Å; L192-W198 HydrophobicContact CB-CB 4.29Å; G196-W198 PolarHBondContact O-N 3.33Å; W198-T200 VanDerWaalsContact C-N 3.33Å; W198-F203 HydrophobicContact CB-CE2 4.47Å; W198-F203 HydrophobicContact CB-CZ 4.18Å |
| 199 | Q | 86.6 | Confident | 87.1 | Confident | 146 Ų | 146 | 105.3 Ų | 105.3 | 68% | 0.682 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -72.7 | -26.2 | 178.4 | -63.5 | -177 | 1.2 | 0 | 0 | 113 | G196 E197 | G196-Q199 PolarHBondContact O-N 3.33Å; E197-Q199 PolarHBondContact O-N 3.41Å; E197-Q199 VanDerWaalsContact O-N 3.07Å |
| 200 | T | 85.2 | Confident | 87.3 | Confident | 125 Ų | 125 | 105.9 Ų | 105.9 | 77% | 0.767 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -19.9 | -178.1 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | E197 W198 | E197-T200 PolarHBondContact O-N 2.82Å; E197-T200 PolarHBondContact O-OG1 3.07Å; W198-T200 VanDerWaalsContact C-N 3.33Å |
| 201 | A | 81.7 | Confident | 87.3 | Confident | 31 Ų | 31 | 109.9 Ų | 109.9 | 26% | 0.256 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 140.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E185 E197 F203 | E185-A201 HydrophobicContact CG-CB 4.34Å; E197-A201 WeakPolarHBondContact O-CB 3.41Å; E197-A201 PolarHBondContact O-N 3.24Å; A201-F203 HydrophobicContact CB-CE2 4.26Å; A201-F203 HydrophobicContact CB-CZ 4.37Å |
| 202 | K | 82 | Confident | 87.4 | Confident | 152 Ų | 152 | 105.2 Ų | 105.2 | 66% | 0.661 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 125.9 | 168.9 | -73.8 | -173.6 | 177.2 | -176.2 | 0 | 109 | E184 E185 | E184-K202 WeakPolarHBondContact CA-O 3.48Å; E184-K202 WeakPolarHBondContact CB-O 3.35Å; E184-K202 HydrophobicContact CG-CB 4.4Å; E185-K202 PolarHBondContact N-O 3.21Å |
| 203 | F | 83.9 | Confident | 87.5 | Confident | 74 Ų | 74 | 109.1 Ų | 109.1 | 33% | 0.325 | 59% | 0.587 | S | S | . | * | B | Isolated β-bridge | trans | -96.8 | 142.8 | 176.7 | -66.3 | -86.6 | 0 | 0 | 0 | 111 | E185 L188 L192 W198 A201 A205 | E185-F203 HydrophobicContact CB-CD1 3.72Å; E185-F203 HydrophobicContact CB-CE1 3.74Å; E185-F203 CarbonylContact O-C 3.28Å; E185-F203 VanDerWaalsContact O-CA 3.25Å; E185-F203 WeakPolarHBondContact O-CA 3.36Å; L188-F203 HydrophobicContact CD1-CE1 4.2Å; L188-F203 HydrophobicContact CD1-CZ 3.73Å; L192-F203 HydrophobicContact CD1-CE1 4.3Å; L192-F203 HydrophobicContact CD1-CZ 4.43Å; W198-F203 HydrophobicContact CB-CE2 4.47Å; W198-F203 HydrophobicContact CB-CZ 4.18Å; A201-F203 HydrophobicContact CB-CE2 4.26Å; A201-F203 HydrophobicContact CB-CZ 4.37Å; F203-A205 PolarHBondContact O-N 3.04Å |
| 204 | K | 82.8 | Confident | 87.6 | Confident | 135 Ų | 135 | 109.4 Ų | 109.4 | 59% | 0.587 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 128.8 | 170.6 | -174.2 | 176.9 | -179.6 | 177.9 | 0 | 109.3 | E184 E185 Y206 | E184-K204 HydrophobicContact CB-CB 4.27Å; E184-K204 WeakPolarHBondContact OE2-CA 3.17Å; E185-K204 PolarHBondContact O-N 3.4Å; K204-Y206 PolarHBondContact O-N 2.87Å |
| 205 | A | 83.6 | Confident | 87.7 | Confident | 89 Ų | 89 | 111.6 Ų | 111.6 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F203 N207 | F203-A205 PolarHBondContact O-N 3.04Å; A205-N207 PolarHBondContact O-N 3.12Å |
| 206 | Y | 85.3 | Confident | 87.9 | Confident | 150 Ų | 150 | 114.8 Ų | 114.8 | 59% | 0.588 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 130.9 | 176.6 | -168.7 | -94.8 | 0 | 0 | 0 | 110.6 | K204 F208 | K204-Y206 PolarHBondContact O-N 2.87Å; Y206-F208 AromaticContact CD1-CD1 3.89Å; Y206-F208 HydrophobicContact CD1-CD1 3.89Å; Y206-F208 HydrophobicContact CD1-CD2 4.42Å; Y206-F208 AromaticContact CD1-CE1 3.82Å; Y206-F208 HydrophobicContact CD1-CE1 3.82Å; Y206-F208 HydrophobicContact CD1-CE2 4.36Å; Y206-F208 HydrophobicContact CD1-CG 4.19Å; Y206-F208 HydrophobicContact CD1-CZ 4.07Å; Y206-F208 HydrophobicContact CE1-CD1 4.35Å; Y206-F208 HydrophobicContact CE1-CE1 4.44Å; Y206-F208 VanDerWaalsContact O-CD2 3.32Å; Y206-F208 WeakPolarHBondContact O-CD2 3.41Å; Y206-F208 PolarHBondContact O-N 2.96Å; Y206-F208 VanDerWaalsContact O-N 3.09Å |
| 207 | N | 88.6 | Confident | 88.2 | Confident | 89 Ų | 89 | 117.3 Ų | 117.3 | 48% | 0.476 | 64% | 0.638 | S | S | . | * | trans | -80.3 | 91.1 | 179.4 | -176.3 | 8.9 | 0 | 0 | 0 | 111.2 | A205 Y209 S210 | A205-N207 PolarHBondContact O-N 3.12Å; N207-Y209 PolarHBondContact O-N 3.31Å; N207-Y209 VanDerWaalsContact O-N 3.12Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.4Å; N207-Y209 PolarHBondContact OD1-N 3.09Å; N207-S210 PolarHBondContact O-N 3.14Å; N207-S210 PolarHBondContact O-OG 3.04Å | ||
| 208 | F | 90.7 | Very high | 88.6 | Confident | 173 Ų | 173 | 115.5 Ų | 115.5 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -7.3 | 176.2 | -66.4 | -76.7 | 0 | 0 | 0 | 114.9 | Y206 | Y206-F208 AromaticContact CD1-CD1 3.89Å; Y206-F208 HydrophobicContact CD1-CD1 3.89Å; Y206-F208 HydrophobicContact CD1-CD2 4.42Å; Y206-F208 AromaticContact CD1-CE1 3.82Å; Y206-F208 HydrophobicContact CD1-CE1 3.82Å; Y206-F208 HydrophobicContact CD1-CE2 4.36Å; Y206-F208 HydrophobicContact CD1-CG 4.19Å; Y206-F208 HydrophobicContact CD1-CZ 4.07Å; Y206-F208 HydrophobicContact CE1-CD1 4.35Å; Y206-F208 HydrophobicContact CE1-CE1 4.44Å; Y206-F208 VanDerWaalsContact O-CD2 3.32Å; Y206-F208 WeakPolarHBondContact O-CD2 3.41Å; Y206-F208 PolarHBondContact O-N 2.96Å; Y206-F208 VanDerWaalsContact O-N 3.09Å |
| 209 | Y | 92.5 | Very high | 88.9 | Confident | 227 Ų | 227 | 118.2 Ų | 118.2 | 89% | 0.89 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -7.3 | 175.8 | -59.2 | -79.1 | 0 | 0 | 0 | 113.1 | N207 | N207-Y209 PolarHBondContact O-N 3.31Å; N207-Y209 VanDerWaalsContact O-N 3.12Å; N207-Y209 WeakPolarHBondContact OD1-CB 3.4Å; N207-Y209 PolarHBondContact OD1-N 3.09Å |
| 210 | S | 90.7 | Very high | 89.3 | Confident | 57 Ų | 57 | 118 Ų | 118 | 40% | 0.399 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -88.4 | 146.8 | 174.1 | 63 | 0 | 0 | 0 | 0 | 112 | N207 | N207-S210 PolarHBondContact O-N 3.14Å; N207-S210 PolarHBondContact O-OG 3.04Å |
| 211 | L | 91.7 | Very high | 89.7 | Confident | 172 Ų | 172 | 117.7 Ų | 117.7 | 90% | 0.901 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 135.3 | 167.1 | -66.6 | 172 | 0 | 0 | 0 | 109.8 | ||
| 212 | G | 90.9 | Very high | 90.4 | Very high | 53 Ų | 53 | 120.7 Ų | 120.7 | 55% | 0.546 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 167.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A214 | G212-A214 PolarHBondContact O-N 3.3Š|
| 213 | A | 90.2 | Very high | 90.8 | Very high | 99 Ų | 99 | 117.4 Ų | 117.4 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 131.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L215 | A213-L215 PolarHBondContact O-N 3.41Š|
| 214 | A | 92 | Very high | 91.2 | Very high | 100 Ų | 100 | 117.8 Ų | 117.8 | 83% | 0.826 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 123.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G212 | G212-A214 PolarHBondContact O-N 3.3Š|
| 215 | L | 93 | Very high | 91.7 | Very high | 152 Ų | 152 | 119.9 Ų | 119.9 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 131.7 | 175.5 | -65 | 174 | 0 | 0 | 0 | 109.9 | A213 S217 | A213-L215 PolarHBondContact O-N 3.41Å; L215-S217 PolarHBondContact O-N 3.04Å |
| 216 | P | 93.4 | Very high | 92.1 | Very high | 132 Ų | 132 | 118.9 Ų | 118.9 | 86% | 0.857 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.5 | 175 | 27.2 | -33 | 0 | 0 | 0 | 109.5 | ||
| 217 | S | 93.8 | Very high | 92.5 | Very high | 82 Ų | 82 | 116 Ų | 116 | 57% | 0.573 | 65% | 0.648 | S | S | * | * | trans | -136.7 | 154.4 | 178 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | L215 H219 | L215-S217 PolarHBondContact O-N 3.04Å; S217-H219 PolarHBondContact OG-CE1 3.05Å | ||
| 218 | G | 94.8 | Very high | 92.8 | Very high | 78 Ų | 78 | 115.4 Ų | 115.4 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | trans | -71.7 | 144.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 219 | H | 93.5 | Very high | 93 | Very high | 167 Ų | 167 | 111 Ų | 111 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | trans | -118 | 137.1 | 179 | -59.8 | -54.6 | 0 | 0 | 0 | 111.4 | S217 | S217-H219 PolarHBondContact OG-CE1 3.05Š| ||
| 220 | L | 94.5 | Very high | 93 | Very high | 140 Ų | 140 | 101.7 Ų | 101.7 | 73% | 0.733 | 60% | 0.597 | S | S | * | * | trans | -88.4 | 139.4 | 168.6 | -68.1 | 174.8 | 0 | 0 | 0 | 109.5 | ||||
| 221 | H | 95 | Very high | 93.2 | Very high | 119 Ų | 119 | 99.9 Ų | 99.9 | 55% | 0.551 | 58% | 0.584 | S | S | * | * | trans | -59.2 | 128.7 | 173.7 | -170.6 | -79.1 | 0 | 0 | 0 | 109.9 | L223 L224 R225 | H221-L223 VanDerWaalsContact C-N 3.28Å; H221-L223 WeakPolarHBondContact ND1-CB 3.21Å; H221-L223 PolarHBondContact ND1-N 2.78Å; H221-L223 PolarHBondContact O-N 2.92Å; H221-L223 VanDerWaalsContact O-N 3.16Å; H221-L224 HydrophobicContact CB-CB 4.38Å; H221-L224 HydrophobicContact CB-CD1 4.08Å; H221-L224 HydrophobicContact CB-CG 4.1Å; H221-L224 WeakPolarHBondContact O-CA 3.28Å; H221-L224 WeakPolarHBondContact O-CB 3.5Å; H221-L224 PolarHBondContact O-N 2.96Å; H221-R225 PolarHBondContact O-N 3.13Å; H221-R225 VanDerWaalsContact O-N 3.09Å | ||
| 222 | P | 95.1 | Very high | 93.4 | Very high | 94 Ų | 94 | 98.8 Ų | 98.8 | 61% | 0.61 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -53.6 | -40.5 | -174.8 | -29.8 | 35.6 | 0 | 0 | 0 | 114.1 | L224 R225 V226 | P222-L224 VanDerWaalsContact C-N 3.31Å; P222-L224 PolarHBondContact O-N 3.42Å; P222-R225 WeakPolarHBondContact O-CB 3.49Å; P222-R225 PolarHBondContact O-N 3.37Å; P222-V226 WeakPolarHBondContact O-CG2 3.41Å; P222-V226 PolarHBondContact O-N 2.95Å |
| 223 | L | 90.9 | Very high | 93.6 | Very high | 83 Ų | 83 | 96.5 Ų | 96.5 | 44% | 0.435 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 175.7 | -174 | 64.6 | 0 | 0 | 0 | 113 | H221 V226 R227 | H221-L223 VanDerWaalsContact C-N 3.28Å; H221-L223 WeakPolarHBondContact ND1-CB 3.21Å; H221-L223 PolarHBondContact ND1-N 2.78Å; H221-L223 PolarHBondContact O-N 2.92Å; H221-L223 VanDerWaalsContact O-N 3.16Å; L223-V226 PolarHBondContact O-N 2.97Å; L223-R227 WeakPolarHBondContact O-CB 3.37Å; L223-R227 PolarHBondContact O-N 2.88Å |
| 224 | L | 91.4 | Very high | 93.9 | Very high | 82 Ų | 82 | 91.9 Ų | 91.9 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.2 | -35 | 177.7 | -64.5 | -179.2 | 0 | 0 | 0 | 111.1 | H221 P222 V226 R227 S228 | H221-L224 HydrophobicContact CB-CB 4.38Å; H221-L224 HydrophobicContact CB-CD1 4.08Å; H221-L224 HydrophobicContact CB-CG 4.1Å; H221-L224 WeakPolarHBondContact O-CA 3.28Å; H221-L224 WeakPolarHBondContact O-CB 3.5Å; H221-L224 PolarHBondContact O-N 2.96Å; P222-L224 VanDerWaalsContact C-N 3.31Å; P222-L224 PolarHBondContact O-N 3.42Å; L224-V226 VanDerWaalsContact C-N 3.35Å; L224-R227 WeakPolarHBondContact O-CB 3.42Å; L224-R227 PolarHBondContact O-N 3.23Å; L224-S228 PolarHBondContact O-N 3.47Å; L224-S228 PolarHBondContact O-OG 3.27Å; L224-S228 VanDerWaalsContact O-OG 3.12Å |
| 225 | R | 94.3 | Very high | 94 | Very high | 180 Ų | 180 | 90.2 Ų | 90.2 | 68% | 0.679 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.6 | -44.6 | 171.7 | -176.9 | 179.7 | 174.1 | -179.5 | -1.3 | 111.3 | H221 P222 S228 E229 | H221-R225 PolarHBondContact O-N 3.13Å; H221-R225 VanDerWaalsContact O-N 3.09Å; P222-R225 WeakPolarHBondContact O-CB 3.49Å; P222-R225 PolarHBondContact O-N 3.37Å; R225-S228 PolarHBondContact O-N 3.36Å; R225-E229 PolarHBondContact O-N 3.39Å; R225-E229 VanDerWaalsContact O-N 3.12Å |
| 226 | V | 92.8 | Very high | 94.2 | Very high | 67 Ų | 67 | 87.9 Ų | 87.9 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 111 | P222 L223 L224 S228 E229 F230 | P222-V226 WeakPolarHBondContact O-CG2 3.41Å; P222-V226 PolarHBondContact O-N 2.95Å; L223-V226 PolarHBondContact O-N 2.97Å; L224-V226 VanDerWaalsContact C-N 3.35Å; V226-S228 VanDerWaalsContact C-N 3.32Å; V226-S228 PolarHBondContact O-N 2.94Å; V226-E229 WeakPolarHBondContact O-CB 3.44Å; V226-E229 PolarHBondContact O-N 3.42Å; V226-E229 VanDerWaalsContact O-N 3.14Å; V226-F230 HydrophobicContact CG1-CD2 3.7Å; V226-F230 HydrophobicContact CG1-CE2 3.51Å; V226-F230 HydrophobicContact CG1-CZ 4.41Å; V226-F230 VanDerWaalsContact O-CD2 3.23Å; V226-F230 WeakPolarHBondContact O-CD2 3.44Å; V226-F230 PolarHBondContact O-N 3.06Å |
| 227 | R | 93 | Very high | 94.3 | Very high | 89 Ų | 89 | 82.8 Ų | 82.8 | 34% | 0.336 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -55.1 | -47.3 | 173.5 | 174.4 | -179.7 | 173.5 | -168.8 | -1 | 111.4 | L223 L224 E229 F230 C231 I352 | L223-R227 WeakPolarHBondContact O-CB 3.37Å; L223-R227 PolarHBondContact O-N 2.88Å; L224-R227 WeakPolarHBondContact O-CB 3.42Å; L224-R227 PolarHBondContact O-N 3.23Å; R227-E229 VanDerWaalsContact C-N 3.3Å; R227-E229 PolarHBondContact O-N 3.49Å; R227-F230 PolarHBondContact O-N 3.14Å; R227-C231 PolarHBondContact O-N 2.75Å; R227-C231 PolarHBondContact O-SG 3.37Å; R227-C231 VanDerWaalsContact O-SG 3.37Å; R227-I352 HydrophobicContact CG-CB 4.34Å; R227-I352 HydrophobicContact CG-CD1 4.25Å; R227-I352 HydrophobicContact CG-CG2 3.91Å |
| 228 | S | 94.5 | Very high | 94.4 | Very high | 78 Ų | 78 | 81 Ų | 81 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 177.7 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | L224 R225 V226 R232 | L224-S228 PolarHBondContact O-N 3.47Å; L224-S228 PolarHBondContact O-OG 3.27Å; L224-S228 VanDerWaalsContact O-OG 3.12Å; R225-S228 PolarHBondContact O-N 3.36Å; V226-S228 VanDerWaalsContact C-N 3.32Å; V226-S228 PolarHBondContact O-N 2.94Å; S228-R232 WeakPolarHBondContact O-CB 3.47Å; S228-R232 PolarHBondContact O-N 3.19Å |
| 229 | E | 94.5 | Very high | 94.5 | Very high | 80 Ų | 80 | 77.7 Ų | 77.7 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 175.7 | -177.6 | 170.5 | -158.3 | 0 | 0 | 112.3 | R225 V226 R227 R232 I233 | R225-E229 PolarHBondContact O-N 3.39Å; R225-E229 VanDerWaalsContact O-N 3.12Å; V226-E229 WeakPolarHBondContact O-CB 3.44Å; V226-E229 PolarHBondContact O-N 3.42Å; V226-E229 VanDerWaalsContact O-N 3.14Å; R227-E229 VanDerWaalsContact C-N 3.3Å; R227-E229 PolarHBondContact O-N 3.49Å; E229-R232 PolarHBondContact O-N 2.87Å; E229-I233 HydrophobicContact CG-CD1 4.16Å; E229-I233 WeakPolarHBondContact O-CG1 3.17Å; E229-I233 PolarHBondContact O-N 2.69Å |
| 230 | F | 93.5 | Very high | 94.7 | Very high | 31 Ų | 31 | 73.1 Ų | 73.1 | 14% | 0.136 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.8 | -84.3 | -124.4 | 0 | 0 | 0 | 111.7 | V226 R227 R232 I233 L234 I352 V372 F393 L397 | V226-F230 HydrophobicContact CG1-CD2 3.7Å; V226-F230 HydrophobicContact CG1-CE2 3.51Å; V226-F230 HydrophobicContact CG1-CZ 4.41Å; V226-F230 VanDerWaalsContact O-CD2 3.23Å; V226-F230 WeakPolarHBondContact O-CD2 3.44Å; V226-F230 PolarHBondContact O-N 3.06Å; R227-F230 PolarHBondContact O-N 3.14Å; F230-R232 VanDerWaalsContact C-N 3.33Å; F230-R232 PolarHBondContact O-N 3.24Å; F230-I233 PolarHBondContact O-N 3.06Å; F230-L234 WeakPolarHBondContact O-CD1 3.49Å; F230-L234 WeakPolarHBondContact O-CG 3.4Å; F230-L234 PolarHBondContact O-N 2.94Å; F230-I352 HydrophobicContact CB-CD1 3.61Å; F230-V372 HydrophobicContact CD1-CG1 4.26Å; F230-V372 HydrophobicContact CD1-CG2 3.86Å; F230-V372 HydrophobicContact CE1-CG2 4.34Å; F230-F393 AromaticContact CD1-CZ 3.71Å; F230-F393 HydrophobicContact CD1-CZ 3.71Å; F230-F393 HydrophobicContact CE1-CE1 4.3Å; F230-F393 AromaticContact CE1-CZ 3.81Å; F230-F393 HydrophobicContact CE1-CZ 3.81Å; F230-F393 HydrophobicContact CG-CZ 4.49Å; F230-L397 HydrophobicContact CD2-CD2 4.23Å; F230-L397 HydrophobicContact CE1-CD1 4.37Å; F230-L397 HydrophobicContact CE2-CD1 4.37Å; F230-L397 HydrophobicContact CE2-CD2 3.79Å; F230-L397 HydrophobicContact CZ-CD1 3.97Å; F230-L397 HydrophobicContact CZ-CD2 4.24Å |
| 231 | C | 94.7 | Very high | 94.8 | Very high | 19 Ų | 19 | 71.3 Ų | 71.3 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.3 | -48.4 | 173.8 | -71.7 | 0 | 0 | 0 | 0 | 110.8 | R227 I233 L234 C235 Y350 I352 | R227-C231 PolarHBondContact O-N 2.75Å; R227-C231 PolarHBondContact O-SG 3.37Å; R227-C231 VanDerWaalsContact O-SG 3.37Å; C231-I233 PolarHBondContact O-N 3.49Å; C231-L234 PolarHBondContact O-N 3.5Å; C231-C235 WeakPolarHBondContact O-CB 3.41Å; C231-C235 PolarHBondContact O-N 3.49Å; C231-C235 PolarHBondContact O-SG 3.3Å; C231-Y350 HydrophobicContact CB-CE2 4.29Å; C231-I352 VanDerWaalsContact SG-CD1 3.57Å |
| 232 | R | 96 | Very high | 94.8 | Very high | 150 Ų | 150 | 65.8 Ų | 65.8 | 57% | 0.566 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.4 | -46.9 | 178.3 | -177.2 | -179.9 | 63.5 | 148.8 | 0.2 | 111.9 | S228 E229 F230 L234 C235 D236 | S228-R232 WeakPolarHBondContact O-CB 3.47Å; S228-R232 PolarHBondContact O-N 3.19Å; E229-R232 PolarHBondContact O-N 2.87Å; F230-R232 VanDerWaalsContact C-N 3.33Å; F230-R232 PolarHBondContact O-N 3.24Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.02Å; R232-C235 PolarHBondContact O-N 2.96Å; R232-D236 WeakPolarHBondContact O-CB 3.28Å; R232-D236 VanDerWaalsContact O-CG 3.25Å; R232-D236 PolarHBondContact O-N 3.27Å |
| 233 | I | 95.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 179.2 | -72.6 | 170.4 | 0 | 0 | 0 | 111.7 | E229 F230 C231 D236 M237 F393 K396 L397 | E229-I233 HydrophobicContact CG-CD1 4.16Å; E229-I233 WeakPolarHBondContact O-CG1 3.17Å; E229-I233 PolarHBondContact O-N 2.69Å; F230-I233 PolarHBondContact O-N 3.06Å; C231-I233 PolarHBondContact O-N 3.49Å; I233-D236 PolarHBondContact O-N 2.93Å; I233-M237 HydrophobicContact CG2-SD 4.17Å; I233-M237 VanDerWaalsContact O-CG 3.3Å; I233-M237 WeakPolarHBondContact O-CG 3.29Å; I233-M237 PolarHBondContact O-N 3.14Å; I233-M237 VanDerWaalsContact O-N 3.12Å; I233-F393 HydrophobicContact CG2-CD2 3.65Å; I233-F393 HydrophobicContact CG2-CE2 3.75Å; I233-K396 HydrophobicContact CD1-CB 4.24Å; I233-K396 HydrophobicContact CG1-CB 4.19Å; I233-K396 HydrophobicContact CG2-CB 3.84Å; I233-K396 HydrophobicContact CG2-CD 3.84Å; I233-K396 HydrophobicContact CG2-CG 4.5Å; I233-L397 HydrophobicContact CD1-CD2 3.38Å; I233-L397 HydrophobicContact CD1-CG 3.81Å |
| 234 | L | 95.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 179.7 | -71.6 | 159.9 | 0 | 0 | 0 | 111.3 | F230 C231 R232 D236 M237 G238 F239 Y350 V372 F393 | F230-L234 WeakPolarHBondContact O-CD1 3.49Å; F230-L234 WeakPolarHBondContact O-CG 3.4Å; F230-L234 PolarHBondContact O-N 2.94Å; C231-L234 PolarHBondContact O-N 3.5Å; R232-L234 VanDerWaalsContact C-N 3.34Å; R232-L234 PolarHBondContact O-N 3.02Å; L234-D236 PolarHBondContact O-N 3.12Å; L234-M237 PolarHBondContact O-N 3.33Å; L234-M237 VanDerWaalsContact O-N 3.13Å; L234-G238 PolarHBondContact O-N 3.28Å; L234-F239 HydrophobicContact CB-CB 4.24Å; L234-F239 HydrophobicContact CD2-CD1 4.44Å; L234-F239 HydrophobicContact CD2-CD2 4.48Å; L234-F239 HydrophobicContact CD2-CG 4.31Å; L234-F239 WeakPolarHBondContact O-CB 3.35Å; L234-F239 PolarHBondContact O-N 3.49Å; L234-Y350 HydrophobicContact CB-CD1 3.9Å; L234-Y350 HydrophobicContact CB-CD2 4.14Å; L234-Y350 HydrophobicContact CB-CE1 4.26Å; L234-Y350 HydrophobicContact CB-CG 3.81Å; L234-Y350 HydrophobicContact CD1-CD2 3.61Å; L234-Y350 HydrophobicContact CD1-CE2 4.37Å; L234-Y350 HydrophobicContact CD1-CG 3.83Å; L234-Y350 HydrophobicContact CG-CD2 4.46Å; L234-Y350 HydrophobicContact CG-CG 4.31Å; L234-V372 HydrophobicContact CD1-CG1 3.96Å; L234-F393 HydrophobicContact CD1-CE2 4.3Å; L234-F393 HydrophobicContact CD2-CD2 3.88Å; L234-F393 HydrophobicContact CD2-CE2 3.86Å; L234-F393 HydrophobicContact CG-CD2 4.28Å; L234-F393 HydrophobicContact CG-CE2 3.86Å |
| 235 | C | 95.8 | Very high | 94.9 | Very high | 64 Ų | 64 | 65.3 Ų | 65.3 | 43% | 0.432 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58 | -45.9 | 172.1 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | C231 R232 M237 G238 Y350 | C231-C235 WeakPolarHBondContact O-CB 3.41Å; C231-C235 PolarHBondContact O-N 3.49Å; C231-C235 PolarHBondContact O-SG 3.3Å; R232-C235 PolarHBondContact O-N 2.96Å; C235-M237 PolarHBondContact O-N 2.85Å; C235-G238 WeakPolarHBondContact O-CA 3.46Å; C235-G238 PolarHBondContact O-N 3.32Å; C235-Y350 PolarHBondContact SG-OH 3.31Å; C235-Y350 VanDerWaalsContact SG-OH 3.4Å |
| 236 | D | 96.2 | Very high | 94.8 | Very high | 104 Ų | 104 | 58.3 Ų | 58.3 | 56% | 0.556 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.6 | -28.7 | 176.5 | -73.1 | -5.4 | 0 | 0 | 0 | 112.9 | R232 I233 L234 G238 K396 | R232-D236 WeakPolarHBondContact O-CB 3.28Å; R232-D236 VanDerWaalsContact O-CG 3.25Å; R232-D236 PolarHBondContact O-N 3.27Å; I233-D236 PolarHBondContact O-N 2.93Å; L234-D236 PolarHBondContact O-N 3.12Å; D236-G238 PolarHBondContact O-N 2.83Å; D236-K396 IonicContact OD2-NZ 3.85Å |
| 237 | M | 95.3 | Very high | 94.9 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.4 | 175.3 | -70.4 | 175.6 | 62.5 | 0 | 0 | 113.1 | I233 L234 C235 F239 K348 V389 T392 F393 K396 | I233-M237 HydrophobicContact CG2-SD 4.17Å; I233-M237 VanDerWaalsContact O-CG 3.3Å; I233-M237 WeakPolarHBondContact O-CG 3.29Å; I233-M237 PolarHBondContact O-N 3.14Å; I233-M237 VanDerWaalsContact O-N 3.12Å; L234-M237 PolarHBondContact O-N 3.33Å; L234-M237 VanDerWaalsContact O-N 3.13Å; C235-M237 PolarHBondContact O-N 2.85Å; M237-F239 HydrophobicContact CB-CD2 3.7Å; M237-F239 HydrophobicContact CB-CE2 3.91Å; M237-F239 HydrophobicContact CE-CE2 4.05Å; M237-K348 PolarHBondContact O-NZ 2.97Å; M237-V389 HydrophobicContact CE-CG1 4.04Å; M237-T392 HydrophobicContact CE-CG2 4.09Å; M237-T392 HydrophobicContact CG-CG2 4.49Å; M237-T392 HydrophobicContact SD-CG2 4.4Å; M237-F393 HydrophobicContact CE-CB 3.98Å; M237-F393 HydrophobicContact SD-CB 3.86Å; M237-F393 HydrophobicContact SD-CD2 4.03Å; M237-F393 HydrophobicContact SD-CG 4.46Å; M237-K396 HydrophobicContact CG-CD 3.97Å; M237-K396 HydrophobicContact SD-CD 4.24Å |
| 238 | G | 96 | Very high | 95 | Very high | 46 Ų | 46 | 59.4 Ų | 59.4 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 23.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L234 C235 D236 | L234-G238 PolarHBondContact O-N 3.28Å; C235-G238 WeakPolarHBondContact O-CA 3.46Å; C235-G238 PolarHBondContact O-N 3.32Å; D236-G238 PolarHBondContact O-N 2.83Å |
| 239 | F | 96.9 | Very high | 95 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 143.6 | 172.2 | -70.3 | -115.1 | 0 | 0 | 0 | 110.3 | L234 M237 K348 Y349 Y350 V376 V389 | L234-F239 HydrophobicContact CB-CB 4.24Å; L234-F239 HydrophobicContact CD2-CD1 4.44Å; L234-F239 HydrophobicContact CD2-CD2 4.48Å; L234-F239 HydrophobicContact CD2-CG 4.31Å; L234-F239 WeakPolarHBondContact O-CB 3.35Å; L234-F239 PolarHBondContact O-N 3.49Å; M237-F239 HydrophobicContact CB-CD2 3.7Å; M237-F239 HydrophobicContact CB-CE2 3.91Å; M237-F239 HydrophobicContact CE-CE2 4.05Å; F239-K348 HydrophobicContact CB-CB 4.3Å; F239-K348 HydrophobicContact CD1-CB 3.88Å; F239-K348 HydrophobicContact CD2-CB 4.15Å; F239-K348 HydrophobicContact CD2-CD 4.17Å; F239-K348 HydrophobicContact CE1-CB 4.18Å; F239-K348 HydrophobicContact CE2-CB 4.43Å; F239-K348 HydrophobicContact CE2-CD 4.08Å; F239-K348 HydrophobicContact CG-CB 3.85Å; F239-K348 HydrophobicContact CZ-CB 4.44Å; F239-Y349 VanDerWaalsContact CD1-O 3.32Å; F239-Y349 WeakPolarHBondContact CD1-O 3.34Å; F239-Y350 HydrophobicContact CB-CD1 3.64Å; F239-Y350 HydrophobicContact CB-CG 4.3Å; F239-V376 HydrophobicContact CE1-CG2 3.78Å; F239-V376 HydrophobicContact CZ-CG2 3.55Å; F239-V389 HydrophobicContact CE2-CG1 4.42Å; F239-V389 HydrophobicContact CZ-CG1 3.89Å |
| 240 | S | 96.6 | Very high | 95 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 49% | 0.49 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 139.9 | 174.2 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | K348 Y349 Y350 | S240-K348 PolarHBondContact N-O 2.9Å; S240-Y349 CarbonylContact O-C 3.56Å; S240-Y349 VanDerWaalsContact O-CA 3.27Å; S240-Y349 WeakPolarHBondContact O-CA 3.45Å; S240-Y350 VanDerWaalsContact C-CD1 3.48Å; S240-Y350 WeakPolarHBondContact O-CD1 3.41Å; S240-Y350 PolarHBondContact O-N 3.01Å |
| 241 | E | 96.9 | Very high | 95 | Very high | 102 Ų | 102 | 50.9 Ų | 50.9 | 48% | 0.477 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.7 | -179.4 | -164.3 | 165.5 | -161.9 | 0 | 0 | 111.4 | Y350 | E241-Y350 CarbonylContact C-O 3.47Å; E241-Y350 WeakPolarHBondContact CA-O 3.46Å; E241-Y350 HydrophobicContact CB-CD1 4.43Å; E241-Y350 HydrophobicContact CB-CE1 3.75Å; E241-Y350 HydrophobicContact CB-CE2 4.19Å; E241-Y350 HydrophobicContact CG-CE1 4.4Å; E241-Y350 HydrophobicContact CG-CE2 3.93Å; E241-Y350 VanDerWaalsContact N-CE1 3.35Å; E241-Y350 PolarHBondContact OE2-OH 2.93Å |
| 242 | M | 95.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 143.1 | 173.7 | -60.5 | -176.4 | -85.5 | 0 | 0 | 110.3 | T244 V330 M334 Y349 Y350 S351 | M242-T244 PolarHBondContact O-N 3.29Å; M242-V330 HydrophobicContact CB-CG1 3.91Å; M242-V330 HydrophobicContact SD-CG1 4.36Å; M242-M334 HydrophobicContact CB-CG 4.08Å; M242-M334 HydrophobicContact CG-CG 3.78Å; M242-M334 HydrophobicContact SD-CB 3.99Å; M242-M334 HydrophobicContact SD-CG 3.61Å; M242-Y349 HydrophobicContact CG-CD1 4.1Å; M242-Y349 HydrophobicContact CG-CG 4.04Å; M242-Y349 HydrophobicContact SD-CG 4.3Å; M242-Y350 VanDerWaalsContact CE-C 3.46Å; M242-Y350 PolarHBondContact N-O 3.49Å; M242-S351 WeakPolarHBondContact CE-OG 3.32Å |
| 243 | P | 94.8 | Very high | 95 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 51% | 0.506 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 121.7 | 172.8 | 29.9 | -33.2 | 0 | 0 | 0 | 110.3 | V330 M334 | P243-V330 WeakPolarHBondContact O-CG1 3.42Å; P243-M334 HydrophobicContact CG-SD 4.28Å |
| 244 | T | 93.6 | Very high | 94.9 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | trans | -115.7 | 26.1 | -178.7 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | M242 N246 R324 V330 S351 D353 | M242-T244 PolarHBondContact O-N 3.29Å; T244-N246 PolarHBondContact O-N 3.01Å; T244-R324 PolarHBondContact O-NH1 3.29Å; T244-R324 PolarHBondContact O-NH2 3.35Å; T244-V330 HydrophobicContact CG2-CG1 4.12Å; T244-V330 HydrophobicContact CG2-CG2 4.17Å; T244-S351 VanDerWaalsContact CG2-CB 3.49Å; T244-D353 WeakPolarHBondContact CB-OD2 3.37Å; T244-D353 HydrophobicContact CG2-CB 4Å; T244-D353 PolarHBondContact OG1-OD2 3.44Å | ||
| 245 | N | 91.4 | Very high | 94.8 | Very high | 150 Ų | 150 | 42.8 Ų | 42.8 | 80% | 0.802 | 24% | 0.244 | S | C | * | . | trans | -74 | 39.9 | -172.7 | 60.7 | -42.4 | 0 | 0 | 0 | 114.8 | ||||
| 246 | N | 91.2 | Very high | 94.7 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | trans | -147.8 | 98.4 | -177.9 | 62.7 | -35.8 | 0 | 0 | 0 | 112 | T244 E249 R324 | T244-N246 PolarHBondContact O-N 3.01Å; N246-E249 PolarHBondContact ND2-OE1 3.43Å; N246-R324 VanDerWaalsContact O-CD 3.3Å; N246-R324 WeakPolarHBondContact O-CD 3.34Å; N246-R324 PolarHBondContact O-NE 2.69Å; N246-R324 PolarHBondContact O-NH1 3.48Å; N246-R324 PolarHBondContact OD1-NH1 3.37Å | ||
| 247 | Y | 95.3 | Very high | 94.6 | Very high | 118 Ų | 118 | 35.8 Ų | 35.8 | 46% | 0.463 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -71.1 | -36.2 | 171.5 | -66 | -41.5 | 0 | 0 | 0 | 112.4 | R324 R354 F356 | Y247-R324 WeakPolarHBondContact O-CG 3.48Å; Y247-R324 PolarHBondContact O-N 2.84Å; Y247-R354 HydrophobicContact CE1-CB 4.28Å; Y247-F356 AromaticContact CD1-CE2 3.8Å; Y247-F356 HydrophobicContact CD1-CE2 3.8Å; Y247-F356 HydrophobicContact CD1-CZ 4.03Å; Y247-F356 HydrophobicContact CG-CE2 4.04Å; Y247-F356 HydrophobicContact CG-CZ 4.16Å |
| 248 | V | 95.4 | Very high | 94.5 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.2 | 174.1 | -179 | 0 | 0 | 0 | 0 | 109 | L275 N321 L322 L323 | V248-L275 HydrophobicContact CB-CD1 4.11Å; V248-L275 HydrophobicContact CG1-CD1 3.37Å; V248-L275 HydrophobicContact CG2-CD1 3.63Å; V248-N321 HydrophobicContact CG1-CB 4.04Å; V248-L322 WeakPolarHBondContact CA-O 3.48Å; V248-L323 HydrophobicContact CG2-CD2 4.36Å |
| 249 | E | 94.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 149.7 | 169.8 | -88.7 | -70.7 | -155.2 | 0 | 0 | 110.7 | N246 N254 N321 L322 R324 A329 R333 | N246-E249 PolarHBondContact ND2-OE1 3.43Å; E249-N254 HydrophobicContact CB-CB 4.17Å; E249-N321 WeakPolarHBondContact O-CA 3.47Å; E249-L322 HydrophobicContact CB-CD1 4.16Å; E249-L322 PolarHBondContact N-O 2.76Å; E249-L322 PolarHBondContact O-N 3.12Å; E249-L322 VanDerWaalsContact O-O 3.12Å; E249-R324 HydrophobicContact CB-CB 4.35Å; E249-R324 HydrophobicContact CG-CB 4.13Å; E249-A329 HydrophobicContact CG-CB 4.15Å; E249-R333 IonicContact OE1-CZ 2.66Å; E249-R333 IonicContact OE1-NE 2.81Å; E249-R333 PolarHBondContact OE1-NE 3.32Å; E249-R333 IonicContact OE1-NH2 3.62Å; E249-R333 IonicContact OE2-CZ 2.72Å; E249-R333 IonicContact OE2-NE 3.8Å; E249-R333 PolarHBondContact OE2-NE 3.01Å; E249-R333 IonicContact OE2-NH2 2.71Å; E249-R333 PolarHBondContact OE2-NH2 2.93Å |
| 250 | C | 93.9 | Very high | 94.1 | Very high | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 150.4 | 165.4 | 66.9 | 0 | 0 | 0 | 0 | 109.9 | F252 W253 N254 I283 | C250-F252 PolarHBondContact O-N 3.48Å; C250-F252 VanDerWaalsContact O-N 3.12Å; C250-W253 PolarHBondContact O-N 3.3Å; C250-N254 PolarHBondContact O-N 3.31Å; C250-N254 VanDerWaalsContact O-N 3.08Å; C250-I283 HydrophobicContact CB-CG2 4.27Å |
| 251 | S | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.8 | -28.6 | -179.4 | -67.7 | 0 | 0 | 0 | 0 | 112.7 | F255 D256 E317 A318 K320 L322 | S251-F255 WeakPolarHBondContact O-CA 2.93Å; S251-F255 WeakPolarHBondContact O-CB 3.23Å; S251-F255 PolarHBondContact O-N 2.96Å; S251-D256 PolarHBondContact O-N 3.03Å; S251-E317 WeakPolarHBondContact CB-O 3.3Å; S251-A318 PolarHBondContact N-O 2.95Å; S251-K320 WeakPolarHBondContact CB-O 3.5Å; S251-K320 PolarHBondContact N-O 2.87Å; S251-K320 PolarHBondContact OG-O 3.13Å; S251-L322 WeakPolarHBondContact OG-CD2 3.4Å |
| 252 | F | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.1 | -53.8 | 171.8 | -179.1 | -97.4 | 0 | 0 | 0 | 112.6 | C250 D256 S257 I283 V287 Y291 I292 V295 W313 A318 | C250-F252 PolarHBondContact O-N 3.48Å; C250-F252 VanDerWaalsContact O-N 3.12Å; F252-D256 HydrophobicContact CD2-CB 4.02Å; F252-D256 PolarHBondContact O-N 3.03Å; F252-D256 VanDerWaalsContact O-N 3.14Å; F252-S257 VanDerWaalsContact O-CB 3.31Å; F252-S257 WeakPolarHBondContact O-CB 3.46Å; F252-S257 PolarHBondContact O-N 3.22Å; F252-S257 PolarHBondContact O-OG 2.72Å; F252-I283 HydrophobicContact CB-CG2 4.36Å; F252-V287 HydrophobicContact CD1-CG2 4.18Å; F252-V287 HydrophobicContact CE1-CB 4.49Å; F252-V287 HydrophobicContact CE1-CG1 3.83Å; F252-V287 HydrophobicContact CE1-CG2 4.11Å; F252-V287 HydrophobicContact CZ-CG1 4.23Å; F252-Y291 AromaticContact CE1-CD1 3.96Å; F252-Y291 HydrophobicContact CE1-CD1 3.96Å; F252-Y291 AromaticContact CE1-CE1 3.76Å; F252-Y291 HydrophobicContact CE1-CE1 3.76Å; F252-Y291 AromaticContact CZ-CD1 3.78Å; F252-Y291 HydrophobicContact CZ-CD1 3.78Å; F252-Y291 AromaticContact CZ-CE1 3.73Å; F252-Y291 HydrophobicContact CZ-CE1 3.73Å; F252-I292 HydrophobicContact CE2-CG1 4.27Å; F252-I292 HydrophobicContact CE2-CG2 4.41Å; F252-I292 HydrophobicContact CZ-CG1 4.18Å; F252-V295 HydrophobicContact CE2-CB 3.98Å; F252-V295 HydrophobicContact CE2-CG1 3.91Å; F252-V295 HydrophobicContact CE2-CG2 4.04Å; F252-V295 HydrophobicContact CZ-CB 4.38Å; F252-V295 HydrophobicContact CZ-CG2 3.94Å; F252-W313 HydrophobicContact CD2-CZ2 4.08Å; F252-W313 HydrophobicContact CE2-CZ2 4.47Å; F252-A318 HydrophobicContact CB-CB 4.12Å; F252-A318 HydrophobicContact CD2-CB 4.43Å; F252-A318 PolarHBondContact N-O 3.18Å |
| 253 | W | 94.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 36 Ų | 36 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.2 | -38.2 | -178.5 | -78 | 114.4 | 0 | 0 | 0 | 112.3 | C250 S257 V287 Y291 A332 R333 H336 | C250-W253 PolarHBondContact O-N 3.3Å; W253-S257 PolarHBondContact O-OG 3.46Å; W253-V287 HydrophobicContact CZ2-CG1 4.21Å; W253-V287 HydrophobicContact CZ2-CG2 3.62Å; W253-Y291 HydrophobicContact CH2-CD1 4.34Å; W253-Y291 AromaticContact CH2-CE1 3.81Å; W253-Y291 HydrophobicContact CH2-CE1 3.81Å; W253-Y291 HydrophobicContact CZ3-CE1 4.05Å; W253-A332 HydrophobicContact CE3-CB 4.05Å; W253-A332 HydrophobicContact CZ3-CB 4.25Å; W253-R333 HydrophobicContact CD2-CG 3.58Å; W253-R333 HydrophobicContact CE3-CB 4.43Å; W253-R333 HydrophobicContact CE3-CG 3.51Å; W253-R333 HydrophobicContact CG-CG 4.11Å; W253-R333 HydrophobicContact CH2-CG 4.29Å; W253-R333 HydrophobicContact CZ2-CG 4.32Å; W253-R333 HydrophobicContact CZ3-CB 4.41Å; W253-R333 HydrophobicContact CZ3-CG 3.89Å; W253-H336 HydrophobicContact CH2-CB 3.8Å; W253-H336 AromaticContact CH2-CD2 3.53Å; W253-H336 AromaticContact CH2-CG 3.87Å; W253-H336 HydrophobicContact CZ3-CB 4.1Å |
| 254 | N | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -74.1 | -29.6 | -179 | -170.5 | 81.2 | 0 | 0 | 0 | 112.9 | E249 C250 L258 L322 T325 H326 A329 | E249-N254 HydrophobicContact CB-CB 4.17Å; C250-N254 PolarHBondContact O-N 3.31Å; C250-N254 VanDerWaalsContact O-N 3.08Å; N254-L258 WeakPolarHBondContact O-CD1 3.23Å; N254-L322 HydrophobicContact CB-CD1 3.82Å; N254-L322 HydrophobicContact CB-CD2 4.27Å; N254-T325 PolarHBondContact ND2-OG1 3.34Å; N254-T325 PolarHBondContact OD1-N 3.31Å; N254-T325 PolarHBondContact OD1-OG1 3.47Å; N254-H326 PolarHBondContact O-CE1 3.02Å; N254-H326 PolarHBondContact O-NE2 3.26Å; N254-A329 HydrophobicContact CB-CB 4.31Å |
| 255 | F | 94 | Very high | 93.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -59.7 | -175.2 | -57.7 | -57.3 | 0 | 0 | 0 | 114 | S251 S257 L258 Q260 R267 T272 L322 T325 | S251-F255 WeakPolarHBondContact O-CA 2.93Å; S251-F255 WeakPolarHBondContact O-CB 3.23Å; S251-F255 PolarHBondContact O-N 2.96Å; F255-S257 PolarHBondContact O-N 3.46Å; F255-L258 PolarHBondContact O-N 2.99Å; F255-L258 VanDerWaalsContact O-N 3.07Å; F255-Q260 HydrophobicContact CB-CB 4.32Å; F255-Q260 VanDerWaalsContact CD1-CD 3.45Å; F255-Q260 WeakPolarHBondContact O-CB 3.37Å; F255-Q260 PolarHBondContact O-N 3.09Å; F255-R267 HydrophobicContact CB-CG 4.46Å; F255-R267 HydrophobicContact CD1-CG 4.23Å; F255-R267 HydrophobicContact CD2-CG 3.64Å; F255-R267 HydrophobicContact CE1-CG 4.28Å; F255-R267 HydrophobicContact CE2-CB 4.3Å; F255-R267 HydrophobicContact CE2-CG 3.69Å; F255-R267 HydrophobicContact CG-CG 3.88Å; F255-R267 HydrophobicContact CZ-CG 4Å; F255-T272 HydrophobicContact CZ-CG2 4.39Å; F255-L322 HydrophobicContact CD2-CD2 3.87Å; F255-L322 HydrophobicContact CE2-CD2 3.25Å; F255-L322 HydrophobicContact CZ-CD2 4.06Å; F255-T325 HydrophobicContact CZ-CG2 4.08Å |
| 256 | D | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -64.2 | -40.5 | -168.3 | -61.3 | -58.2 | 0 | 0 | 0 | 112.4 | S251 F252 L258 F259 Q262 R267 V295 H299 W313 A318 | S251-D256 PolarHBondContact O-N 3.03Å; F252-D256 HydrophobicContact CD2-CB 4.02Å; F252-D256 PolarHBondContact O-N 3.03Å; F252-D256 VanDerWaalsContact O-N 3.14Å; D256-L258 PolarHBondContact O-N 2.91Å; D256-F259 PolarHBondContact O-N 3.15Å; D256-Q262 WeakPolarHBondContact OD1-CG 3.35Å; D256-R267 IonicContact OD1-CZ 3.98Å; D256-R267 IonicContact OD1-NH1 2.81Å; D256-R267 PolarHBondContact OD1-NH1 3.42Å; D256-R267 IonicContact OD2-NH1 3.44Å; D256-R267 PolarHBondContact OD2-NH1 3.21Å; D256-R267 IonicContact OD2-NH2 3.96Å; D256-V295 HydrophobicContact CB-CG1 4.13Å; D256-H299 PolarHBondContact O-NE2 3.22Å; D256-W313 HydrophobicContact CB-CZ2 4.26Å; D256-W313 PolarHBondContact OD1-NE1 3.39Å; D256-W313 VanDerWaalsContact OD1-NE1 3.12Å; D256-A318 WeakPolarHBondContact OD2-CA 3.47Å; D256-A318 VanDerWaalsContact OD2-CB 3.25Å; D256-A318 WeakPolarHBondContact OD2-CB 3.47Å |
| 257 | S | 92.9 | Very high | 92.8 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 13% | 0.133 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -64.8 | -21.1 | 178.6 | 76.8 | 0 | 0 | 0 | 0 | 113.3 | F252 W253 F255 F259 A332 | F252-S257 VanDerWaalsContact O-CB 3.31Å; F252-S257 WeakPolarHBondContact O-CB 3.46Å; F252-S257 PolarHBondContact O-N 3.22Å; F252-S257 PolarHBondContact O-OG 2.72Å; W253-S257 PolarHBondContact O-OG 3.46Å; F255-S257 PolarHBondContact O-N 3.46Å; S257-F259 VanDerWaalsContact C-N 3.32Å; S257-A332 WeakPolarHBondContact OG-CB 3.38Å |
| 258 | L | 93.1 | Very high | 92.4 | Very high | 34 Ų | 34 | 26.3 Ų | 26.3 | 18% | 0.178 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -93 | 8.8 | 176.9 | -64.3 | 175.5 | 0 | 0 | 0 | 112.8 | N254 F255 D256 Q260 T328 A332 I411 | N254-L258 WeakPolarHBondContact O-CD1 3.23Å; F255-L258 PolarHBondContact O-N 2.99Å; F255-L258 VanDerWaalsContact O-N 3.07Å; D256-L258 PolarHBondContact O-N 2.91Å; L258-Q260 VanDerWaalsContact C-N 3.26Å; L258-Q260 PolarHBondContact O-N 3.46Å; L258-T328 HydrophobicContact CD1-CG2 3.71Å; L258-T328 HydrophobicContact CD2-CG2 3.8Å; L258-T328 HydrophobicContact CG-CG2 4.42Å; L258-A332 HydrophobicContact CD2-CB 3.68Å; L258-A332 HydrophobicContact CG-CB 4.21Å; L258-I411 HydrophobicContact CB-CD1 3.82Å; L258-I411 HydrophobicContact CD1-CD1 3.48Å; L258-I411 VanDerWaalsContact CD1-CD1 3.48Å; L258-I411 HydrophobicContact CG-CD1 4.27Å |
| 259 | F | 93.3 | Very high | 91.8 | Very high | 67 Ų | 67 | 26.2 Ų | 26.2 | 29% | 0.294 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 31.6 | -176.7 | -161.2 | -114.8 | 0 | 0 | 0 | 113.4 | D256 S257 V298 H299 Y309 | D256-F259 PolarHBondContact O-N 3.15Å; S257-F259 VanDerWaalsContact C-N 3.32Å; F259-V298 HydrophobicContact CD2-CG1 4.15Å; F259-V298 HydrophobicContact CE2-CG1 3.67Å; F259-V298 HydrophobicContact CZ-CG1 4.42Å; F259-H299 AromaticContact CD2-CD2 3.81Å; F259-H299 AromaticContact CD2-NE2 3.7Å; F259-Y309 HydrophobicContact CD1-CE2 4.06Å; F259-Y309 HydrophobicContact CD2-CE2 4.13Å; F259-Y309 AromaticContact CE1-CE2 3.81Å; F259-Y309 HydrophobicContact CE1-CE2 3.81Å; F259-Y309 AromaticContact CE1-CZ 3.88Å; F259-Y309 HydrophobicContact CE2-CD2 4.2Å; F259-Y309 AromaticContact CE2-CE2 3.84Å; F259-Y309 HydrophobicContact CE2-CE2 3.84Å; F259-Y309 HydrophobicContact CG-CE2 4.21Å; F259-Y309 HydrophobicContact CZ-CD2 4.11Å; F259-Y309 AromaticContact CZ-CE2 3.69Å; F259-Y309 HydrophobicContact CZ-CE2 3.69Å; F259-Y309 WeakPolarHBondContact O-CE2 3.4Å; F259-Y309 PolarHBondContact O-OH 3.47Å |
| 260 | Q | 90.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | trans | -88.2 | 129.6 | 169.2 | -175.5 | -177.2 | -49.8 | 0 | 0 | 110 | F255 L258 H264 H299 | F255-Q260 HydrophobicContact CB-CB 4.32Å; F255-Q260 VanDerWaalsContact CD1-CD 3.45Å; F255-Q260 WeakPolarHBondContact O-CB 3.37Å; F255-Q260 PolarHBondContact O-N 3.09Å; L258-Q260 VanDerWaalsContact C-N 3.26Å; L258-Q260 PolarHBondContact O-N 3.46Å; Q260-H264 HydrophobicContact CG-CB 3.76Å; Q260-H264 PolarHBondContact NE2-ND1 2.89Å; Q260-H299 PolarHBondContact O-CE1 2.87Å | ||
| 261 | P | 92.7 | Very high | 90.8 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | trans | -67.6 | 156 | -175.5 | 24.9 | -27.4 | 0 | 0 | 0 | 111.9 | Q263 H264 R267 Y309 | P261-Q263 VanDerWaalsContact C-N 3.3Å; P261-Q263 PolarHBondContact O-N 3.37Å; P261-H264 HydrophobicContact CG-CB 4.02Å; P261-H264 WeakPolarHBondContact O-CB 3.47Å; P261-H264 PolarHBondContact O-N 2.93Å; P261-R267 WeakPolarHBondContact O-CD 3.26Å; P261-Y309 HydrophobicContact CB-CD1 4.02Å; P261-Y309 HydrophobicContact CB-CD2 3.89Å; P261-Y309 HydrophobicContact CB-CE1 4.06Å; P261-Y309 HydrophobicContact CB-CE2 3.93Å; P261-Y309 HydrophobicContact CB-CG 3.95Å; P261-Y309 HydrophobicContact CG-CD1 4.22Å; P261-Y309 HydrophobicContact CG-CE1 3.85Å; P261-Y309 HydrophobicContact CG-CE2 4.28Å | ||
| 262 | Q | 93.1 | Very high | 90.6 | Very high | 20 Ų | 20 | 35 Ų | 35 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.5 | -178.8 | -58 | -163.5 | -39.5 | 0 | 0 | 113 | D256 H264 R267 W313 L314 | D256-Q262 WeakPolarHBondContact OD1-CG 3.35Å; Q262-H264 PolarHBondContact O-N 3.35Å; Q262-R267 WeakPolarHBondContact O-CD 3.44Å; Q262-W313 VanDerWaalsContact NE2-NE1 3.16Å; Q262-L314 PolarHBondContact NE2-O 3.08Å |
| 263 | Q | 90.9 | Very high | 90.6 | Very high | 117 Ų | 117 | 37.8 Ų | 37.8 | 55% | 0.547 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 8.4 | 176.5 | -54.3 | 79.5 | 12.5 | 0 | 0 | 113 | P261 | P261-Q263 VanDerWaalsContact C-N 3.3Å; P261-Q263 PolarHBondContact O-N 3.37Å |
| 264 | H | 89.2 | Confident | 90.6 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | trans | -68.4 | 133.8 | -176.1 | -168.1 | -95.2 | 0 | 0 | 0 | 111.1 | Q260 P261 Q262 A266 R267 H410 I411 L412 | Q260-H264 HydrophobicContact CG-CB 3.76Å; Q260-H264 PolarHBondContact NE2-ND1 2.89Å; P261-H264 HydrophobicContact CG-CB 4.02Å; P261-H264 WeakPolarHBondContact O-CB 3.47Å; P261-H264 PolarHBondContact O-N 2.93Å; Q262-H264 PolarHBondContact O-N 3.35Å; H264-A266 VanDerWaalsContact ND1-CB 3.27Å; H264-A266 WeakPolarHBondContact ND1-CB 3.38Å; H264-A266 PolarHBondContact ND1-N 2.9Å; H264-A266 VanDerWaalsContact ND1-N 3.19Å; H264-A266 PolarHBondContact O-N 2.66Å; H264-A266 VanDerWaalsContact O-N 3.09Å; H264-R267 HydrophobicContact CB-CG 4.45Å; H264-R267 WeakPolarHBondContact O-CB 3.24Å; H264-R267 PolarHBondContact O-N 3.36Å; H264-H410 PolarHBondContact CE1-O 3.36Å; H264-H410 PolarHBondContact NE2-O 3.33Å; H264-I411 PolarHBondContact CE1-O 3.24Å; H264-I411 VanDerWaalsContact CE1-O 3.25Å; H264-L412 WeakPolarHBondContact CE1-CD2 3.49Å; H264-L412 VanDerWaalsContact CE1-CG 3.41Å; H264-L412 WeakPolarHBondContact CE1-CG 3.24Å; H264-L412 WeakPolarHBondContact NE2-CD2 3.32Å; H264-L412 VanDerWaalsContact NE2-CG 3.29Å; H264-L412 WeakPolarHBondContact NE2-CG 3.48Å | ||
| 265 | P | 90.6 | Very high | 90.7 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -59.5 | -28.4 | -176 | 23.3 | -35.4 | 0 | 0 | 0 | 113.2 | R267 D268 D271 L412 | P265-R267 PolarHBondContact O-N 3.05Å; P265-D268 WeakPolarHBondContact O-CB 3.33Å; P265-D268 PolarHBondContact O-N 2.71Å; P265-D271 VanDerWaalsContact O-OD2 3.11Å; P265-L412 HydrophobicContact CG-CD2 3.8Å |
| 266 | A | 86.5 | Confident | 90.7 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -64.2 | -14.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | H264 D268 T272 N413 | H264-A266 VanDerWaalsContact ND1-CB 3.27Å; H264-A266 WeakPolarHBondContact ND1-CB 3.38Å; H264-A266 PolarHBondContact ND1-N 2.9Å; H264-A266 VanDerWaalsContact ND1-N 3.19Å; H264-A266 PolarHBondContact O-N 2.66Å; H264-A266 VanDerWaalsContact O-N 3.09Å; A266-D268 VanDerWaalsContact C-N 3.33Å; A266-T272 PolarHBondContact O-OG1 3.04Å; A266-N413 WeakPolarHBondContact CA-ND2 3.41Å; A266-N413 WeakPolarHBondContact CB-ND2 3.38Å |
| 267 | R | 89.8 | Confident | 90.6 | Very high | 16 Ų | 16 | 54 Ų | 54 | 6% | 0.06 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -88.2 | -1.8 | 173 | -58.6 | -172.9 | 62.4 | 156.4 | -2.8 | 112.8 | F255 D256 P261 Q262 H264 P265 F274 E317 | F255-R267 HydrophobicContact CB-CG 4.46Å; F255-R267 HydrophobicContact CD1-CG 4.23Å; F255-R267 HydrophobicContact CD2-CG 3.64Å; F255-R267 HydrophobicContact CE1-CG 4.28Å; F255-R267 HydrophobicContact CE2-CB 4.3Å; F255-R267 HydrophobicContact CE2-CG 3.69Å; F255-R267 HydrophobicContact CG-CG 3.88Å; F255-R267 HydrophobicContact CZ-CG 4Å; D256-R267 IonicContact OD1-CZ 3.98Å; D256-R267 IonicContact OD1-NH1 2.81Å; D256-R267 PolarHBondContact OD1-NH1 3.42Å; D256-R267 IonicContact OD2-NH1 3.44Å; D256-R267 PolarHBondContact OD2-NH1 3.21Å; D256-R267 IonicContact OD2-NH2 3.96Å; P261-R267 WeakPolarHBondContact O-CD 3.26Å; Q262-R267 WeakPolarHBondContact O-CD 3.44Å; H264-R267 HydrophobicContact CB-CG 4.45Å; H264-R267 WeakPolarHBondContact O-CB 3.24Å; H264-R267 PolarHBondContact O-N 3.36Å; P265-R267 PolarHBondContact O-N 3.05Å; R267-F274 WeakPolarHBondContact O-CE2 3.22Å; R267-F274 WeakPolarHBondContact O-CZ 3.33Å; R267-E317 PolarHBondContact NH2-O 3.33Å |
| 268 | D | 88.3 | Confident | 90.7 | Very high | 90 Ų | 90 | 56.3 Ų | 56.3 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -73.1 | 150.5 | -179.6 | -150.6 | -9.8 | 0 | 0 | 0 | 110.3 | P265 A266 H270 D271 T272 | P265-D268 WeakPolarHBondContact O-CB 3.33Å; P265-D268 PolarHBondContact O-N 2.71Å; A266-D268 VanDerWaalsContact C-N 3.33Å; D268-H270 PolarHBondContact O-N 3.15Å; D268-H270 VanDerWaalsContact O-N 3.14Å; D268-D271 PolarHBondContact O-N 3.04Å; D268-T272 PolarHBondContact O-N 2.79Å |
| 269 | A | 82.5 | Confident | 90.7 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 49% | 0.488 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D271 N358 | A269-D271 VanDerWaalsContact C-N 3.26Å; A269-D271 PolarHBondContact O-N 3.29Å; A269-N358 PolarHBondContact O-ND2 2.81Å |
| 270 | H | 80.7 | Confident | 90.7 | Very high | 147 Ų | 147 | 61.6 Ų | 61.6 | 68% | 0.681 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18.6 | 173.6 | -70.4 | -64 | 0 | 0 | 0 | 114.2 | D268 | D268-H270 PolarHBondContact O-N 3.15Å; D268-H270 VanDerWaalsContact O-N 3.14Å |
| 271 | D | 86 | Confident | 90.5 | Very high | 44 Ų | 44 | 63.4 Ų | 63.4 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -26.8 | -176.2 | -81.4 | -28 | 0 | 0 | 0 | 112.5 | P265 D268 A269 N358 N413 | P265-D271 VanDerWaalsContact O-OD2 3.11Å; D268-D271 PolarHBondContact O-N 3.04Å; A269-D271 VanDerWaalsContact C-N 3.26Å; A269-D271 PolarHBondContact O-N 3.29Å; D271-N358 PolarHBondContact O-N 3.07Å; D271-N413 VanDerWaalsContact CB-ND2 3.28Å; D271-N413 WeakPolarHBondContact CB-ND2 3.25Å; D271-N413 PolarHBondContact OD1-ND2 3.23Å; D271-N413 PolarHBondContact OD2-ND2 2.99Å |
| 272 | T | 91.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -124.1 | 135 | -174.6 | -69 | 0 | 0 | 0 | 0 | 111.9 | F255 A266 D268 F274 L322 T325 | F255-T272 HydrophobicContact CZ-CG2 4.39Å; A266-T272 PolarHBondContact O-OG1 3.04Å; D268-T272 PolarHBondContact O-N 2.79Å; T272-F274 HydrophobicContact CG2-CD2 4.24Å; T272-F274 HydrophobicContact CG2-CE2 3.95Å; T272-F274 HydrophobicContact CG2-CZ 4.13Å; T272-F274 PolarHBondContact O-N 3.34Å; T272-L322 HydrophobicContact CG2-CB 3.8Å; T272-L322 HydrophobicContact CG2-CD2 3.87Å; T272-L322 HydrophobicContact CG2-CG 4.3Å; T272-T325 HydrophobicContact CG2-CG2 3.77Å; T272-T325 WeakPolarHBondContact OG1-CG2 3.47Å |
| 273 | F | 94 | Very high | 90.1 | Very high | 59 Ų | 59 | 64.8 Ų | 64.8 | 26% | 0.259 | 35% | 0.353 | S | S | . | . | trans | -79.1 | 101 | 170.5 | -63.3 | -63.7 | 0 | 0 | 0 | 110.6 | L322 L323 F356 R357 N358 A367 | F273-L322 CarbonylContact O-C 3.51Å; F273-L322 VanDerWaalsContact O-CA 3.26Å; F273-L322 WeakPolarHBondContact O-CA 3.46Å; F273-L322 WeakPolarHBondContact O-CB 3.37Å; F273-L323 HydrophobicContact CB-CB 4.18Å; F273-L323 HydrophobicContact CB-CD1 3.98Å; F273-L323 HydrophobicContact CB-CG 4.21Å; F273-L323 HydrophobicContact CD2-CD1 4.37Å; F273-L323 HydrophobicContact CG-CD1 4.41Å; F273-L323 PolarHBondContact O-N 3.1Å; F273-F356 HydrophobicContact CD2-CB 3.95Å; F273-F356 HydrophobicContact CE2-CB 4.43Å; F273-R357 VanDerWaalsContact CE2-O 3.24Å; F273-R357 WeakPolarHBondContact CE2-O 2.88Å; F273-N358 HydrophobicContact CD1-CB 3.91Å; F273-N358 HydrophobicContact CD2-CB 4.33Å; F273-N358 HydrophobicContact CE1-CB 3.66Å; F273-N358 VanDerWaalsContact CE1-OD1 3.23Å; F273-N358 WeakPolarHBondContact CE1-OD1 2.98Å; F273-N358 HydrophobicContact CE2-CB 4.13Å; F273-N358 HydrophobicContact CG-CB 4.24Å; F273-N358 HydrophobicContact CZ-CB 3.79Å; F273-A367 HydrophobicContact CE2-CB 4.16Å; F273-A367 HydrophobicContact CZ-CB 4.12Å | ||
| 274 | F | 94.9 | Very high | 89.8 | Confident | 66 Ų | 66 | 62.4 Ų | 62.4 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -77.9 | 151.1 | 167.2 | -69.8 | -84.2 | 0 | 0 | 0 | 110.9 | R267 T272 K320 L322 | R267-F274 WeakPolarHBondContact O-CE2 3.22Å; R267-F274 WeakPolarHBondContact O-CZ 3.33Å; T272-F274 HydrophobicContact CG2-CD2 4.24Å; T272-F274 HydrophobicContact CG2-CE2 3.95Å; T272-F274 HydrophobicContact CG2-CZ 4.13Å; T272-F274 PolarHBondContact O-N 3.34Å; F274-K320 HydrophobicContact CD1-CB 4.2Å; F274-K320 HydrophobicContact CE1-CB 4.21Å; F274-K320 HydrophobicContact CE1-CD 4.44Å; F274-L322 HydrophobicContact CD1-CB 4.11Å; F274-L322 HydrophobicContact CE1-CB 4.39Å; F274-L322 HydrophobicContact CE1-CD2 4.18Å |
| 275 | L | 95 | Very high | 89.6 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | trans | -88.9 | 141.2 | 177.6 | -62.3 | -172.4 | 0 | 0 | 0 | 111.3 | V248 E279 N321 L323 | V248-L275 HydrophobicContact CB-CD1 4.11Å; V248-L275 HydrophobicContact CG1-CD1 3.37Å; V248-L275 HydrophobicContact CG2-CD1 3.63Å; L275-E279 WeakPolarHBondContact O-CA 3.4Å; L275-N321 HydrophobicContact CB-CB 4.28Å; L275-N321 HydrophobicContact CD1-CB 3.94Å; L275-N321 HydrophobicContact CG-CB 4.28Å; L275-N321 PolarHBondContact N-O 3.3Å; L275-L323 HydrophobicContact CD2-CD2 3.98Å; L275-L323 HydrophobicContact CD2-CG 4.07Å | ||
| 276 | S | 94.2 | Very high | 89.2 | Confident | 112 Ų | 112 | 70.6 Ų | 70.6 | 78% | 0.783 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -84.4 | -30 | 165.1 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 277 | D | 93.4 | Very high | 89.2 | Confident | 138 Ų | 138 | 70.7 Ų | 70.7 | 74% | 0.738 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.3 | 121 | 177.7 | -176.3 | 25.4 | 0 | 0 | 0 | 110.1 | ||
| 278 | P | 93.1 | Very high | 89.2 | Confident | 68 Ų | 68 | 74.4 Ų | 74.4 | 44% | 0.442 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -72 | 123 | -12.4 | 29.2 | -33.1 | 0 | 0 | 0 | 111.2 | N321 | P278-N321 VanDerWaalsContact O-CB 3.29Å; P278-N321 WeakPolarHBondContact O-CB 3.48Å; P278-N321 PolarHBondContact O-ND2 2.87Å |
| 279 | E | 93.1 | Very high | 89.4 | Confident | 115 Ų | 115 | 73.7 Ų | 73.7 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | trans | -66.8 | -41.7 | -179.2 | -173.7 | -178 | 171.6 | 0 | 0 | 112.8 | L275 N321 | L275-E279 WeakPolarHBondContact O-CA 3.4Å; E279-N321 PolarHBondContact O-N 3.5Å | ||
| 280 | I | 93.3 | Very high | 89.8 | Confident | 97 Ų | 97 | 74 Ų | 74 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -127 | 137.4 | -172.1 | -56.6 | 179.2 | 0 | 0 | 0 | 109.1 | E319 | I280-E319 WeakPolarHBondContact CA-O 3.26Å; I280-E319 HydrophobicContact CG2-CB 3.57Å |
| 281 | S | 88.1 | Confident | 90.5 | Very high | 40 Ų | 40 | 69.3 Ų | 69.3 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | trans | -110.9 | 134.1 | 167.4 | -69.5 | 0 | 0 | 0 | 0 | 110.5 | I283 E319 N321 | S281-I283 PolarHBondContact O-N 3.17Å; S281-E319 PolarHBondContact N-O 3.21Å; S281-E319 WeakPolarHBondContact O-CB 3.22Å; S281-N321 VanDerWaalsContact CB-OD1 3.28Å; S281-N321 WeakPolarHBondContact CB-OD1 3.39Å; S281-N321 PolarHBondContact N-ND2 2.98Å; S281-N321 PolarHBondContact OG-ND2 3.09Å; S281-N321 PolarHBondContact OG-OD1 3.01Å | ||
| 282 | D | 88 | Confident | 90.8 | Very high | 66 Ų | 66 | 67.2 Ų | 67.2 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | trans | -68.5 | 97.4 | 168.9 | 178.8 | -1.4 | 0 | 0 | 0 | 109.7 | N284 K285 | D282-N284 PolarHBondContact O-N 2.85Å; D282-N284 WeakPolarHBondContact OD1-CB 3.33Å; D282-N284 PolarHBondContact OD1-N 3.32Å; D282-N284 VanDerWaalsContact OD1-N 3.15Å; D282-K285 HydrophobicContact CB-CD 4.04Å; D282-K285 HydrophobicContact CB-CG 4.36Å; D282-K285 PolarHBondContact O-N 3.35Å; D282-K285 WeakPolarHBondContact OD2-CD 3.49Å; D282-K285 WeakPolarHBondContact OD2-CE 3.49Å; D282-K285 WeakPolarHBondContact OD2-CG 3.46Å; D282-K285 IonicContact OD2-NZ 3.48Å; D282-K285 PolarHBondContact OD2-NZ 3.17Å | ||
| 283 | I | 88.2 | Confident | 90.9 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -65.4 | -25.8 | -176.4 | 59.1 | 177.7 | 0 | 0 | 0 | 112.3 | C250 F252 S281 K285 T286 V287 I292 M315 A318 E319 | C250-I283 HydrophobicContact CB-CG2 4.27Å; F252-I283 HydrophobicContact CB-CG2 4.36Å; S281-I283 PolarHBondContact O-N 3.17Å; I283-K285 PolarHBondContact O-N 3.06Å; I283-T286 PolarHBondContact O-N 3.42Å; I283-T286 PolarHBondContact O-OG1 2.91Å; I283-V287 PolarHBondContact O-N 2.88Å; I283-I292 HydrophobicContact CB-CD1 4.46Å; I283-I292 HydrophobicContact CD1-CD1 4Å; I283-I292 HydrophobicContact CD1-CG2 4.37Å; I283-I292 HydrophobicContact CG1-CD1 3.95Å; I283-M315 HydrophobicContact CD1-CE 3.89Å; I283-M315 HydrophobicContact CD1-CG 4.35Å; I283-M315 HydrophobicContact CG1-CE 4.4Å; I283-A318 HydrophobicContact CD1-CB 4.3Å; I283-E319 HydrophobicContact CB-CG 4.46Å; I283-E319 HydrophobicContact CD1-CG 3.89Å; I283-E319 HydrophobicContact CG1-CG 3.82Å; I283-E319 HydrophobicContact CG2-CG 4.03Å |
| 284 | N | 85.9 | Confident | 90.9 | Very high | 67 Ų | 67 | 72.7 Ų | 72.7 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -67.7 | -20.9 | 179.8 | -61.8 | -68.9 | 0 | 0 | 0 | 112.2 | D282 | D282-N284 PolarHBondContact O-N 2.85Å; D282-N284 WeakPolarHBondContact OD1-CB 3.33Å; D282-N284 PolarHBondContact OD1-N 3.32Å; D282-N284 VanDerWaalsContact OD1-N 3.15Å |
| 285 | K | 85 | Confident | 90.9 | Very high | 169 Ų | 169 | 70.1 Ų | 70.1 | 74% | 0.735 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -76 | -24 | 173 | -71.4 | 174.7 | -178.7 | 149.9 | 0 | 113.4 | D282 I283 | D282-K285 HydrophobicContact CB-CD 4.04Å; D282-K285 HydrophobicContact CB-CG 4.36Å; D282-K285 PolarHBondContact O-N 3.35Å; D282-K285 WeakPolarHBondContact OD2-CD 3.49Å; D282-K285 WeakPolarHBondContact OD2-CE 3.49Å; D282-K285 WeakPolarHBondContact OD2-CG 3.46Å; D282-K285 IonicContact OD2-NZ 3.48Å; D282-K285 PolarHBondContact OD2-NZ 3.17Å; I283-K285 PolarHBondContact O-N 3.06Å |
| 286 | T | 80.9 | Confident | 90.9 | Very high | 91 Ų | 91 | 72.4 Ų | 72.4 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -21.5 | -171.8 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | I283 | I283-T286 PolarHBondContact O-N 3.42Å; I283-T286 PolarHBondContact O-OG1 2.91Å |
| 287 | V | 87.6 | Confident | 90.9 | Very high | 6 Ų | 6 | 69.9 Ų | 69.9 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -128.1 | 136 | -175.9 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | F252 W253 I283 T289 Y291 I292 | F252-V287 HydrophobicContact CD1-CG2 4.18Å; F252-V287 HydrophobicContact CE1-CB 4.49Å; F252-V287 HydrophobicContact CE1-CG1 3.83Å; F252-V287 HydrophobicContact CE1-CG2 4.11Å; F252-V287 HydrophobicContact CZ-CG1 4.23Å; W253-V287 HydrophobicContact CZ2-CG1 4.21Å; W253-V287 HydrophobicContact CZ2-CG2 3.62Å; I283-V287 PolarHBondContact O-N 2.88Å; V287-T289 PolarHBondContact O-N 3.37Å; V287-Y291 HydrophobicContact CG1-CD1 3.63Å; V287-Y291 HydrophobicContact CG1-CG 4.44Å; V287-I292 HydrophobicContact CB-CD1 4.11Å; V287-I292 HydrophobicContact CB-CG1 4.13Å; V287-I292 HydrophobicContact CG1-CD1 4.34Å; V287-I292 HydrophobicContact CG1-CG1 3.82Å |
| 288 | E | 90 | Very high | 91 | Very high | 93 Ų | 93 | 64.3 Ų | 64.3 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | trans | -58.9 | 127.5 | 175 | -68.3 | 167.6 | -170.1 | 0 | 0 | 110.3 | C290 Y291 I292 K340 | E288-C290 PolarHBondContact O-N 2.83Å; E288-C290 VanDerWaalsContact O-N 3.08Å; E288-Y291 WeakPolarHBondContact O-CB 3.18Å; E288-Y291 PolarHBondContact O-N 3.17Å; E288-I292 PolarHBondContact O-N 3.06Å; E288-K340 VanDerWaalsContact OE1-CE 3.31Å; E288-K340 WeakPolarHBondContact OE1-CE 3.21Å; E288-K340 IonicContact OE1-NZ 2.66Å; E288-K340 PolarHBondContact OE1-NZ 3.34Å; E288-K340 IonicContact OE2-NZ 3.59Å | ||
| 289 | T | 91.6 | Very high | 91 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -52.4 | -36.2 | -179.6 | -46.4 | 0 | 0 | 0 | 0 | 112 | V287 Y291 I292 D293 | V287-T289 PolarHBondContact O-N 3.37Å; T289-Y291 VanDerWaalsContact C-N 3.26Å; T289-Y291 PolarHBondContact O-N 3.36Å; T289-I292 PolarHBondContact O-N 2.99Å; T289-D293 PolarHBondContact O-N 3Å |
| 290 | C | 92.3 | Very high | 91 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 45% | 0.446 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.6 | -29.6 | 177.7 | 73.7 | 0 | 0 | 0 | 0 | 113.6 | E288 K294 | E288-C290 PolarHBondContact O-N 2.83Å; E288-C290 VanDerWaalsContact O-N 3.08Å; C290-K294 WeakPolarHBondContact O-CD 3.34Å; C290-K294 VanDerWaalsContact O-CG 3.24Å; C290-K294 WeakPolarHBondContact O-CG 3.11Å; C290-K294 PolarHBondContact O-N 3.42Å |
| 291 | Y | 93.7 | Very high | 91 | Very high | 48 Ų | 48 | 60 Ų | 60 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -77.3 | -41.8 | 175.6 | -178.1 | -128.6 | 0 | 0 | 0 | 110.6 | F252 W253 V287 E288 T289 D293 K294 V295 H336 | F252-Y291 AromaticContact CE1-CD1 3.96Å; F252-Y291 HydrophobicContact CE1-CD1 3.96Å; F252-Y291 AromaticContact CE1-CE1 3.76Å; F252-Y291 HydrophobicContact CE1-CE1 3.76Å; F252-Y291 AromaticContact CZ-CD1 3.78Å; F252-Y291 HydrophobicContact CZ-CD1 3.78Å; F252-Y291 AromaticContact CZ-CE1 3.73Å; F252-Y291 HydrophobicContact CZ-CE1 3.73Å; W253-Y291 HydrophobicContact CH2-CD1 4.34Å; W253-Y291 AromaticContact CH2-CE1 3.81Å; W253-Y291 HydrophobicContact CH2-CE1 3.81Å; W253-Y291 HydrophobicContact CZ3-CE1 4.05Å; V287-Y291 HydrophobicContact CG1-CD1 3.63Å; V287-Y291 HydrophobicContact CG1-CG 4.44Å; E288-Y291 WeakPolarHBondContact O-CB 3.18Å; E288-Y291 PolarHBondContact O-N 3.17Å; T289-Y291 VanDerWaalsContact C-N 3.26Å; T289-Y291 PolarHBondContact O-N 3.36Å; Y291-D293 VanDerWaalsContact C-N 3.35Å; Y291-D293 PolarHBondContact O-N 3.41Å; Y291-K294 WeakPolarHBondContact O-CB 3.35Å; Y291-K294 PolarHBondContact O-N 2.72Å; Y291-V295 HydrophobicContact CD2-CG2 4.32Å; Y291-V295 HydrophobicContact CE1-CG2 4.4Å; Y291-V295 HydrophobicContact CE2-CG2 3.96Å; Y291-V295 WeakPolarHBondContact O-CG2 3.47Å; Y291-V295 PolarHBondContact O-N 2.87Å; Y291-H336 AromaticContact CD1-CE1 3.98Å; Y291-H336 AromaticContact CG-CE1 3.87Å |
| 292 | I | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 176 | -57.1 | 171 | 0 | 0 | 0 | 110.4 | F252 I283 V287 E288 T289 K294 V295 R296 W313 M315 | F252-I292 HydrophobicContact CE2-CG1 4.27Å; F252-I292 HydrophobicContact CE2-CG2 4.41Å; F252-I292 HydrophobicContact CZ-CG1 4.18Å; I283-I292 HydrophobicContact CB-CD1 4.46Å; I283-I292 HydrophobicContact CD1-CD1 4Å; I283-I292 HydrophobicContact CD1-CG2 4.37Å; I283-I292 HydrophobicContact CG1-CD1 3.95Å; V287-I292 HydrophobicContact CB-CD1 4.11Å; V287-I292 HydrophobicContact CB-CG1 4.13Å; V287-I292 HydrophobicContact CG1-CD1 4.34Å; V287-I292 HydrophobicContact CG1-CG1 3.82Å; E288-I292 PolarHBondContact O-N 3.06Å; T289-I292 PolarHBondContact O-N 2.99Å; I292-K294 VanDerWaalsContact C-N 3.32Å; I292-K294 PolarHBondContact O-N 2.75Å; I292-V295 PolarHBondContact O-N 3.25Å; I292-R296 WeakPolarHBondContact O-CB 3.43Å; I292-R296 PolarHBondContact O-N 3.48Å; I292-W313 HydrophobicContact CG2-CH2 4Å; I292-W313 HydrophobicContact CG2-CZ3 4.35Å; I292-M315 HydrophobicContact CD1-CE 4.44Å; I292-M315 HydrophobicContact CG2-CE 3.58Å |
| 293 | D | 93.9 | Very high | 91.2 | Very high | 61 Ų | 61 | 57.2 Ų | 57.2 | 33% | 0.326 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 179 | -69.6 | -30.4 | 0 | 0 | 0 | 112.3 | T289 Y291 R296 T297 | T289-D293 PolarHBondContact O-N 3Å; Y291-D293 VanDerWaalsContact C-N 3.35Å; Y291-D293 PolarHBondContact O-N 3.41Å; D293-R296 IonicContact OD1-CZ 3.48Å; D293-R296 IonicContact OD1-NH1 2.72Å; D293-R296 PolarHBondContact OD1-NH1 3.47Å; D293-R296 IonicContact OD1-NH2 3.74Å; D293-T297 WeakPolarHBondContact O-CB 3.2Å; D293-T297 PolarHBondContact O-N 3Å; D293-T297 PolarHBondContact O-OG1 3.38Å |
| 294 | K | 93.8 | Very high | 91.3 | Very high | 117 Ų | 117 | 63.7 Ų | 63.7 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | 172.4 | -76.8 | 170.8 | -174.2 | 173.2 | 0 | 111.2 | C290 Y291 I292 T297 V298 | C290-K294 WeakPolarHBondContact O-CD 3.34Å; C290-K294 VanDerWaalsContact O-CG 3.24Å; C290-K294 WeakPolarHBondContact O-CG 3.11Å; C290-K294 PolarHBondContact O-N 3.42Å; Y291-K294 WeakPolarHBondContact O-CB 3.35Å; Y291-K294 PolarHBondContact O-N 2.72Å; I292-K294 VanDerWaalsContact C-N 3.32Å; I292-K294 PolarHBondContact O-N 2.75Å; K294-T297 PolarHBondContact O-N 3.48Å; K294-V298 WeakPolarHBondContact O-CB 3.29Å; K294-V298 WeakPolarHBondContact O-CG2 3.32Å; K294-V298 PolarHBondContact O-N 3.03Å |
| 295 | V | 94 | Very high | 91.5 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.8 | -50.7 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 109.7 | F252 D256 Y291 I292 T297 V298 H299 | F252-V295 HydrophobicContact CE2-CB 3.98Å; F252-V295 HydrophobicContact CE2-CG1 3.91Å; F252-V295 HydrophobicContact CE2-CG2 4.04Å; F252-V295 HydrophobicContact CZ-CB 4.38Å; F252-V295 HydrophobicContact CZ-CG2 3.94Å; D256-V295 HydrophobicContact CB-CG1 4.13Å; Y291-V295 HydrophobicContact CD2-CG2 4.32Å; Y291-V295 HydrophobicContact CE1-CG2 4.4Å; Y291-V295 HydrophobicContact CE2-CG2 3.96Å; Y291-V295 WeakPolarHBondContact O-CG2 3.47Å; Y291-V295 PolarHBondContact O-N 2.87Å; I292-V295 PolarHBondContact O-N 3.25Å; V295-T297 VanDerWaalsContact C-N 3.3Å; V295-T297 PolarHBondContact O-N 2.82Å; V295-V298 PolarHBondContact O-N 3.25Å; V295-H299 VanDerWaalsContact CG1-CD2 3.49Å; V295-H299 WeakPolarHBondContact CG1-CD2 3.41Å; V295-H299 WeakPolarHBondContact O-CB 3.4Å; V295-H299 PolarHBondContact O-CD2 2.99Å; V295-H299 PolarHBondContact O-N 3.07Å |
| 296 | R | 94.9 | Very high | 91.8 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.7 | -47.3 | 176.2 | -175.4 | -171.2 | -61.1 | 138.7 | 1.6 | 112 | I292 D293 S300 W313 M315 | I292-R296 WeakPolarHBondContact O-CB 3.43Å; I292-R296 PolarHBondContact O-N 3.48Å; D293-R296 IonicContact OD1-CZ 3.48Å; D293-R296 IonicContact OD1-NH1 2.72Å; D293-R296 PolarHBondContact OD1-NH1 3.47Å; D293-R296 IonicContact OD1-NH2 3.74Å; R296-S300 WeakPolarHBondContact O-CB 3.31Å; R296-S300 PolarHBondContact O-N 3.37Å; R296-S300 PolarHBondContact O-OG 3.18Å; R296-W313 HydrophobicContact CB-CD2 4.21Å; R296-W313 HydrophobicContact CB-CE3 3.88Å; R296-W313 HydrophobicContact CB-CZ3 4.38Å; R296-W313 HydrophobicContact CG-CB 4.18Å; R296-W313 HydrophobicContact CG-CD2 4.2Å; R296-W313 HydrophobicContact CG-CE3 3.7Å; R296-W313 HydrophobicContact CG-CG 4.43Å; R296-W313 HydrophobicContact CG-CZ3 4.47Å; R296-M315 VanDerWaalsContact NH2-CE 3.3Å |
| 297 | T | 94.5 | Very high | 92.4 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 36% | 0.362 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | -178.8 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | D293 K294 V295 H299 S300 Q301 G302 | D293-T297 WeakPolarHBondContact O-CB 3.2Å; D293-T297 PolarHBondContact O-N 3Å; D293-T297 PolarHBondContact O-OG1 3.38Å; K294-T297 PolarHBondContact O-N 3.48Å; V295-T297 VanDerWaalsContact C-N 3.3Å; V295-T297 PolarHBondContact O-N 2.82Å; T297-H299 VanDerWaalsContact C-N 3.35Å; T297-H299 PolarHBondContact O-N 2.66Å; T297-S300 PolarHBondContact O-N 3.24Å; T297-Q301 PolarHBondContact O-N 2.96Å; T297-G302 PolarHBondContact O-N 2.95Å; T297-G302 VanDerWaalsContact O-N 3.12Å |
| 298 | V | 94.5 | Very high | 92.6 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | F259 K294 V295 G302 A303 F304 G308 | F259-V298 HydrophobicContact CD2-CG1 4.15Å; F259-V298 HydrophobicContact CE2-CG1 3.67Å; F259-V298 HydrophobicContact CZ-CG1 4.42Å; K294-V298 WeakPolarHBondContact O-CB 3.29Å; K294-V298 WeakPolarHBondContact O-CG2 3.32Å; K294-V298 PolarHBondContact O-N 3.03Å; V295-V298 PolarHBondContact O-N 3.25Å; V298-G302 WeakPolarHBondContact O-CA 3.3Å; V298-G302 PolarHBondContact O-N 3.1Å; V298-A303 HydrophobicContact CG2-CB 3.78Å; V298-F304 HydrophobicContact CG1-CD2 4.48Å; V298-F304 HydrophobicContact CG2-CD2 3.61Å; V298-F304 HydrophobicContact CG2-CE2 3.39Å; V298-G308 WeakPolarHBondContact O-CA 3.34Å |
| 299 | H | 93.2 | Very high | 92.7 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.1 | -45.3 | 177.3 | -86.7 | -101.9 | 0 | 0 | 0 | 112.6 | D256 F259 Q260 V295 T297 Y309 W313 | D256-H299 PolarHBondContact O-NE2 3.22Å; F259-H299 AromaticContact CD2-CD2 3.81Å; F259-H299 AromaticContact CD2-NE2 3.7Å; Q260-H299 PolarHBondContact O-CE1 2.87Å; V295-H299 VanDerWaalsContact CG1-CD2 3.49Å; V295-H299 WeakPolarHBondContact CG1-CD2 3.41Å; V295-H299 WeakPolarHBondContact O-CB 3.4Å; V295-H299 PolarHBondContact O-CD2 2.99Å; V295-H299 PolarHBondContact O-N 3.07Å; T297-H299 VanDerWaalsContact C-N 3.35Å; T297-H299 PolarHBondContact O-N 2.66Å; H299-Y309 AromaticContact ND1-CD2 3.66Å; H299-Y309 AromaticContact ND1-CE2 3.8Å; H299-Y309 PolarHBondContact O-N 3.49Å; H299-W313 HydrophobicContact CB-CB 4.47Å; H299-W313 HydrophobicContact CB-CG 4.39Å; H299-W313 AromaticContact CG-CD1 3.97Å |
| 300 | S | 93.7 | Very high | 92.6 | Very high | 25 Ų | 25 | 65.3 Ų | 65.3 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -82.9 | -58.3 | -174.4 | 57 | 0 | 0 | 0 | 0 | 113 | R296 T297 Q310 S311 | R296-S300 WeakPolarHBondContact O-CB 3.31Å; R296-S300 PolarHBondContact O-N 3.37Å; R296-S300 PolarHBondContact O-OG 3.18Å; T297-S300 PolarHBondContact O-N 3.24Å; S300-Q310 VanDerWaalsContact O-CA 3.24Å; S300-Q310 WeakPolarHBondContact O-CA 3.23Å; S300-Q310 PolarHBondContact O-N 2.96Å; S300-S311 VanDerWaalsContact CA-O 3.32Å; S300-S311 WeakPolarHBondContact CA-O 3.38Å; S300-S311 WeakPolarHBondContact CB-O 3.42Å |
| 301 | Q | 93.1 | Very high | 92.6 | Very high | 157 Ų | 157 | 64.1 Ų | 64.1 | 73% | 0.734 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -19.5 | -170.7 | -61.5 | 174.6 | 12.5 | 0 | 0 | 113 | T297 | T297-Q301 PolarHBondContact O-N 2.96Š|
| 302 | G | 90.7 | Very high | 92.6 | Very high | 17 Ų | 17 | 66.5 Ų | 66.5 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | trans | 84.5 | 147.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T297 V298 S306 | T297-G302 PolarHBondContact O-N 2.95Å; T297-G302 VanDerWaalsContact O-N 3.12Å; V298-G302 WeakPolarHBondContact O-CA 3.3Å; V298-G302 PolarHBondContact O-N 3.1Å; G302-S306 CarbonylContact C-O 3.51Å; G302-S306 WeakPolarHBondContact CA-O 3.44Å | ||
| 303 | A | 90.2 | Very high | 92.7 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | trans | -162.4 | 175 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V298 G305 S306 | V298-A303 HydrophobicContact CG2-CB 3.78Å; A303-G305 PolarHBondContact O-N 2.85Å; A303-S306 PolarHBondContact N-O 3.29Å; A303-S306 WeakPolarHBondContact O-CB 3.19Å; A303-S306 PolarHBondContact O-N 2.83Å | ||
| 304 | F | 90.6 | Very high | 92.7 | Very high | 136 Ų | 136 | 68.9 Ų | 68.9 | 60% | 0.596 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 32 | 179.1 | -47.9 | -63.3 | 0 | 0 | 0 | 114.8 | V298 S306 | V298-F304 HydrophobicContact CG1-CD2 4.48Å; V298-F304 HydrophobicContact CG2-CD2 3.61Å; V298-F304 HydrophobicContact CG2-CE2 3.39Å; F304-S306 VanDerWaalsContact C-N 3.32Å |
| 305 | G | 90.1 | Very high | 92.7 | Very high | 81 Ų | 81 | 65.8 Ų | 65.8 | 84% | 0.835 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -0.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A303 | A303-G305 PolarHBondContact O-N 2.85Š|
| 306 | S | 91.4 | Very high | 92.7 | Very high | 54 Ų | 54 | 72.2 Ų | 72.2 | 38% | 0.378 | 39% | 0.387 | S | S | . | . | trans | -94.8 | 150.9 | 171.8 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | G302 A303 F304 G308 | G302-S306 CarbonylContact C-O 3.51Å; G302-S306 WeakPolarHBondContact CA-O 3.44Å; A303-S306 PolarHBondContact N-O 3.29Å; A303-S306 WeakPolarHBondContact O-CB 3.19Å; A303-S306 PolarHBondContact O-N 2.83Å; F304-S306 VanDerWaalsContact C-N 3.32Å; S306-G308 VanDerWaalsContact C-N 3.29Å; S306-G308 PolarHBondContact OG-N 2.67Å | ||
| 307 | R | 92.4 | Very high | 92.6 | Very high | 185 Ų | 185 | 71 Ų | 71 | 70% | 0.698 | 39% | 0.385 | S | S | * | . | trans | -83.7 | -2.2 | 173.2 | -66.1 | -179.7 | 63.4 | 178.5 | -2.9 | 113.5 | ||||
| 308 | G | 91.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 68.2 Ų | 68.2 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | trans | 66.8 | -166.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V298 S306 | V298-G308 WeakPolarHBondContact O-CA 3.34Å; S306-G308 VanDerWaalsContact C-N 3.29Å; S306-G308 PolarHBondContact OG-N 2.67Å | ||
| 309 | Y | 92 | Very high | 92.6 | Very high | 61 Ų | 61 | 69 Ų | 69 | 24% | 0.239 | 37% | 0.37 | C | S | . | . | trans | -94.2 | -8.8 | 174.5 | -69.5 | -68.7 | 0 | 0 | 0 | 113.4 | F259 P261 H299 S311 H410 | F259-Y309 HydrophobicContact CD1-CE2 4.06Å; F259-Y309 HydrophobicContact CD2-CE2 4.13Å; F259-Y309 AromaticContact CE1-CE2 3.81Å; F259-Y309 HydrophobicContact CE1-CE2 3.81Å; F259-Y309 AromaticContact CE1-CZ 3.88Å; F259-Y309 HydrophobicContact CE2-CD2 4.2Å; F259-Y309 AromaticContact CE2-CE2 3.84Å; F259-Y309 HydrophobicContact CE2-CE2 3.84Å; F259-Y309 HydrophobicContact CG-CE2 4.21Å; F259-Y309 HydrophobicContact CZ-CD2 4.11Å; F259-Y309 AromaticContact CZ-CE2 3.69Å; F259-Y309 HydrophobicContact CZ-CE2 3.69Å; F259-Y309 WeakPolarHBondContact O-CE2 3.4Å; F259-Y309 PolarHBondContact O-OH 3.47Å; P261-Y309 HydrophobicContact CB-CD1 4.02Å; P261-Y309 HydrophobicContact CB-CD2 3.89Å; P261-Y309 HydrophobicContact CB-CE1 4.06Å; P261-Y309 HydrophobicContact CB-CE2 3.93Å; P261-Y309 HydrophobicContact CB-CG 3.95Å; P261-Y309 HydrophobicContact CG-CD1 4.22Å; P261-Y309 HydrophobicContact CG-CE1 3.85Å; P261-Y309 HydrophobicContact CG-CE2 4.28Å; H299-Y309 AromaticContact ND1-CD2 3.66Å; H299-Y309 AromaticContact ND1-CE2 3.8Å; H299-Y309 PolarHBondContact O-N 3.49Å; Y309-S311 PolarHBondContact O-N 2.79Å; Y309-S311 PolarHBondContact O-OG 2.83Å; Y309-H410 PolarHBondContact OH-ND1 3.15Å | ||
| 310 | Q | 91.4 | Very high | 92.7 | Very high | 138 Ų | 138 | 71.4 Ų | 71.4 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | trans | 58.7 | 27.7 | -179 | -49.8 | -168.4 | -50.7 | 0 | 0 | 113.7 | S300 | S300-Q310 VanDerWaalsContact O-CA 3.24Å; S300-Q310 WeakPolarHBondContact O-CA 3.23Å; S300-Q310 PolarHBondContact O-N 2.96Å | ||
| 311 | S | 90.8 | Very high | 92.8 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -120.2 | 148.4 | 178.9 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | S300 Y309 W313 | S300-S311 VanDerWaalsContact CA-O 3.32Å; S300-S311 WeakPolarHBondContact CA-O 3.38Å; S300-S311 WeakPolarHBondContact CB-O 3.42Å; Y309-S311 PolarHBondContact O-N 2.79Å; Y309-S311 PolarHBondContact O-OG 2.83Å; S311-W313 PolarHBondContact O-N 2.94Å |
| 312 | P | 94 | Very high | 93 | Very high | 98 Ų | 98 | 62.9 Ų | 62.9 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 134.7 | 172.3 | 26.7 | -33.2 | 0 | 0 | 0 | 109.8 | ||
| 313 | W | 95.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 64.1 Ų | 64.1 | 8% | 0.076 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 118.9 | 174.1 | -174.9 | 93.7 | 0 | 0 | 0 | 108.5 | F252 D256 Q262 I292 R296 H299 S311 M315 A318 | F252-W313 HydrophobicContact CD2-CZ2 4.08Å; F252-W313 HydrophobicContact CE2-CZ2 4.47Å; D256-W313 HydrophobicContact CB-CZ2 4.26Å; D256-W313 PolarHBondContact OD1-NE1 3.39Å; D256-W313 VanDerWaalsContact OD1-NE1 3.12Å; Q262-W313 VanDerWaalsContact NE2-NE1 3.16Å; I292-W313 HydrophobicContact CG2-CH2 4Å; I292-W313 HydrophobicContact CG2-CZ3 4.35Å; R296-W313 HydrophobicContact CB-CD2 4.21Å; R296-W313 HydrophobicContact CB-CE3 3.88Å; R296-W313 HydrophobicContact CB-CZ3 4.38Å; R296-W313 HydrophobicContact CG-CB 4.18Å; R296-W313 HydrophobicContact CG-CD2 4.2Å; R296-W313 HydrophobicContact CG-CE3 3.7Å; R296-W313 HydrophobicContact CG-CG 4.43Å; R296-W313 HydrophobicContact CG-CZ3 4.47Å; H299-W313 HydrophobicContact CB-CB 4.47Å; H299-W313 HydrophobicContact CB-CG 4.39Å; H299-W313 AromaticContact CG-CD1 3.97Å; S311-W313 PolarHBondContact O-N 2.94Å; W313-M315 HydrophobicContact CZ3-CB 4.07Å; W313-M315 HydrophobicContact CZ3-CG 4.4Å; W313-A318 HydrophobicContact CH2-CB 3.5Å; W313-A318 HydrophobicContact CZ2-CB 3.35Å |
| 314 | L | 94.9 | Very high | 93.4 | Very high | 91 Ų | 91 | 62.8 Ų | 62.8 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -97 | 131.7 | -175.8 | -59.3 | 176.9 | 0 | 0 | 0 | 110.3 | Q262 E317 | Q262-L314 PolarHBondContact NE2-O 3.08Å; L314-E317 HydrophobicContact CB-CB 4.39Å; L314-E317 HydrophobicContact CB-CG 4.13Å; L314-E317 HydrophobicContact CD1-CG 4.33Å |
| 315 | M | 93.1 | Very high | 93.6 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.5 | -40.8 | 179.7 | -168.6 | 150.1 | -126 | 0 | 0 | 111.8 | I283 I292 R296 W313 E317 A318 E319 | I283-M315 HydrophobicContact CD1-CE 3.89Å; I283-M315 HydrophobicContact CD1-CG 4.35Å; I283-M315 HydrophobicContact CG1-CE 4.4Å; I292-M315 HydrophobicContact CD1-CE 4.44Å; I292-M315 HydrophobicContact CG2-CE 3.58Å; R296-M315 VanDerWaalsContact NH2-CE 3.3Å; W313-M315 HydrophobicContact CZ3-CB 4.07Å; W313-M315 HydrophobicContact CZ3-CG 4.4Å; M315-E317 VanDerWaalsContact C-N 3.26Å; M315-E317 PolarHBondContact O-N 3.5Å; M315-A318 WeakPolarHBondContact O-CA 3.24Å; M315-A318 WeakPolarHBondContact O-CB 3.44Å; M315-A318 PolarHBondContact O-N 3.45Å; M315-E319 HydrophobicContact CG-CG 4.45Å; M315-E319 WeakPolarHBondContact O-CG 3.3Å; M315-E319 PolarHBondContact O-N 3.25Å; M315-E319 VanDerWaalsContact O-N 3.14Å |
| 316 | E | 93.5 | Very high | 93.7 | Very high | 147 Ų | 147 | 52.9 Ų | 52.9 | 69% | 0.687 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55.3 | -40.4 | 179.1 | -62.7 | 169.8 | -171.5 | 0 | 0 | 112.1 | A318 E319 K320 | E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 2.9Å; E316-E319 PolarHBondContact O-N 3.31Å; E316-K320 PolarHBondContact O-N 3.05Å |
| 317 | E | 93.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.3 | -30.7 | 177 | -71 | -57.2 | 146.1 | 0 | 0 | 113 | S251 R267 L314 M315 K320 | S251-E317 WeakPolarHBondContact CB-O 3.3Å; R267-E317 PolarHBondContact NH2-O 3.33Å; L314-E317 HydrophobicContact CB-CB 4.39Å; L314-E317 HydrophobicContact CB-CG 4.13Å; L314-E317 HydrophobicContact CD1-CG 4.33Å; M315-E317 VanDerWaalsContact C-N 3.26Å; M315-E317 PolarHBondContact O-N 3.5Å; E317-K320 IonicContact OE1-NZ 3.56Å; E317-K320 PolarHBondContact OE1-NZ 2.87Å; E317-K320 WeakPolarHBondContact OE2-CE 3.22Å; E317-K320 IonicContact OE2-NZ 3.88Å; E317-K320 PolarHBondContact OE2-NZ 3.22Å |
| 318 | A | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78.1 | -25.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S251 F252 D256 I283 W313 M315 E316 | S251-A318 PolarHBondContact N-O 2.95Å; F252-A318 HydrophobicContact CB-CB 4.12Å; F252-A318 HydrophobicContact CD2-CB 4.43Å; F252-A318 PolarHBondContact N-O 3.18Å; D256-A318 WeakPolarHBondContact OD2-CA 3.47Å; D256-A318 VanDerWaalsContact OD2-CB 3.25Å; D256-A318 WeakPolarHBondContact OD2-CB 3.47Å; I283-A318 HydrophobicContact CD1-CB 4.3Å; W313-A318 HydrophobicContact CH2-CB 3.5Å; W313-A318 HydrophobicContact CZ2-CB 3.35Å; M315-A318 WeakPolarHBondContact O-CA 3.24Å; M315-A318 WeakPolarHBondContact O-CB 3.44Å; M315-A318 PolarHBondContact O-N 3.45Å; E316-A318 VanDerWaalsContact C-N 3.3Å; E316-A318 PolarHBondContact O-N 2.9Å |
| 319 | E | 95.1 | Very high | 93.9 | Very high | 36 Ų | 36 | 41 Ų | 41 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -82.4 | -19 | -178.6 | -66.9 | -178.2 | 153.7 | 0 | 0 | 113.7 | I280 S281 I283 M315 E316 N321 | I280-E319 WeakPolarHBondContact CA-O 3.26Å; I280-E319 HydrophobicContact CG2-CB 3.57Å; S281-E319 PolarHBondContact N-O 3.21Å; S281-E319 WeakPolarHBondContact O-CB 3.22Å; I283-E319 HydrophobicContact CB-CG 4.46Å; I283-E319 HydrophobicContact CD1-CG 3.89Å; I283-E319 HydrophobicContact CG1-CG 3.82Å; I283-E319 HydrophobicContact CG2-CG 4.03Å; M315-E319 HydrophobicContact CG-CG 4.45Å; M315-E319 WeakPolarHBondContact O-CG 3.3Å; M315-E319 PolarHBondContact O-N 3.25Å; M315-E319 VanDerWaalsContact O-N 3.14Å; E316-E319 PolarHBondContact O-N 3.31Å; E319-N321 PolarHBondContact O-N 3.32Å |
| 320 | K | 95.6 | Very high | 94 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 26% | 0.261 | 20% | 0.196 | S | C | . | . | B | Isolated β-bridge | trans | -57.8 | 128.5 | 175.5 | -70.6 | 178.6 | -174.5 | 168.4 | 0 | 111.6 | S251 F274 E316 E317 | S251-K320 WeakPolarHBondContact CB-O 3.5Å; S251-K320 PolarHBondContact N-O 2.87Å; S251-K320 PolarHBondContact OG-O 3.13Å; F274-K320 HydrophobicContact CD1-CB 4.2Å; F274-K320 HydrophobicContact CE1-CB 4.21Å; F274-K320 HydrophobicContact CE1-CD 4.44Å; E316-K320 PolarHBondContact O-N 3.05Å; E317-K320 IonicContact OE1-NZ 3.56Å; E317-K320 PolarHBondContact OE1-NZ 2.87Å; E317-K320 WeakPolarHBondContact OE2-CE 3.22Å; E317-K320 IonicContact OE2-NZ 3.88Å; E317-K320 PolarHBondContact OE2-NZ 3.22Å |
| 321 | N | 96.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.011 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 146.1 | 175.5 | -66.8 | -37.2 | 0 | 0 | 0 | 111.7 | V248 E249 L275 P278 E279 S281 E319 | V248-N321 HydrophobicContact CG1-CB 4.04Å; E249-N321 WeakPolarHBondContact O-CA 3.47Å; L275-N321 HydrophobicContact CB-CB 4.28Å; L275-N321 HydrophobicContact CD1-CB 3.94Å; L275-N321 HydrophobicContact CG-CB 4.28Å; L275-N321 PolarHBondContact N-O 3.3Å; P278-N321 VanDerWaalsContact O-CB 3.29Å; P278-N321 WeakPolarHBondContact O-CB 3.48Å; P278-N321 PolarHBondContact O-ND2 2.87Å; E279-N321 PolarHBondContact O-N 3.5Å; S281-N321 VanDerWaalsContact CB-OD1 3.28Å; S281-N321 WeakPolarHBondContact CB-OD1 3.39Å; S281-N321 PolarHBondContact N-ND2 2.98Å; S281-N321 PolarHBondContact OG-ND2 3.09Å; S281-N321 PolarHBondContact OG-OD1 3.01Å; E319-N321 PolarHBondContact O-N 3.32Å |
| 322 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 163.2 | -179.7 | 54.8 | 81.8 | 0 | 0 | 0 | 110.5 | V248 E249 S251 N254 F255 T272 F273 F274 | V248-L322 WeakPolarHBondContact CA-O 3.48Å; E249-L322 HydrophobicContact CB-CD1 4.16Å; E249-L322 PolarHBondContact N-O 2.76Å; E249-L322 PolarHBondContact O-N 3.12Å; E249-L322 VanDerWaalsContact O-O 3.12Å; S251-L322 WeakPolarHBondContact OG-CD2 3.4Å; N254-L322 HydrophobicContact CB-CD1 3.82Å; N254-L322 HydrophobicContact CB-CD2 4.27Å; F255-L322 HydrophobicContact CD2-CD2 3.87Å; F255-L322 HydrophobicContact CE2-CD2 3.25Å; F255-L322 HydrophobicContact CZ-CD2 4.06Å; T272-L322 HydrophobicContact CG2-CB 3.8Å; T272-L322 HydrophobicContact CG2-CD2 3.87Å; T272-L322 HydrophobicContact CG2-CG 4.3Å; F273-L322 CarbonylContact O-C 3.51Å; F273-L322 VanDerWaalsContact O-CA 3.26Å; F273-L322 WeakPolarHBondContact O-CA 3.46Å; F273-L322 WeakPolarHBondContact O-CB 3.37Å; F274-L322 HydrophobicContact CD1-CB 4.11Å; F274-L322 HydrophobicContact CE1-CB 4.39Å; F274-L322 HydrophobicContact CE1-CD2 4.18Å |
| 323 | L | 96.3 | Very high | 94.2 | Very high | 44 Ų | 44 | 29.3 Ų | 29.3 | 23% | 0.23 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 128.5 | 162.6 | -62.9 | -179.7 | 0 | 0 | 0 | 108.9 | V248 F273 L275 T325 F356 | V248-L323 HydrophobicContact CG2-CD2 4.36Å; F273-L323 HydrophobicContact CB-CB 4.18Å; F273-L323 HydrophobicContact CB-CD1 3.98Å; F273-L323 HydrophobicContact CB-CG 4.21Å; F273-L323 HydrophobicContact CD2-CD1 4.37Å; F273-L323 HydrophobicContact CG-CD1 4.41Å; F273-L323 PolarHBondContact O-N 3.1Å; L275-L323 HydrophobicContact CD2-CD2 3.98Å; L275-L323 HydrophobicContact CD2-CG 4.07Å; L323-T325 PolarHBondContact O-N 2.94Å; L323-F356 HydrophobicContact CB-CB 3.72Å; L323-F356 HydrophobicContact CB-CD2 3.71Å; L323-F356 HydrophobicContact CB-CG 3.8Å; L323-F356 HydrophobicContact CD1-CB 4.2Å; L323-F356 HydrophobicContact CD1-CD1 4.08Å; L323-F356 HydrophobicContact CD1-CD2 4.44Å; L323-F356 HydrophobicContact CD1-CG 3.99Å; L323-F356 HydrophobicContact CG-CD2 4.49Å; L323-F356 HydrophobicContact CG-CG 4.46Å |
| 324 | R | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | trans | -54 | 127.5 | -173.4 | 64.2 | -178.3 | 163.8 | -165.3 | -5.2 | 112.4 | T244 N246 Y247 E249 D353 R354 V355 F356 | T244-R324 PolarHBondContact O-NH1 3.29Å; T244-R324 PolarHBondContact O-NH2 3.35Å; N246-R324 VanDerWaalsContact O-CD 3.3Å; N246-R324 WeakPolarHBondContact O-CD 3.34Å; N246-R324 PolarHBondContact O-NE 2.69Å; N246-R324 PolarHBondContact O-NH1 3.48Å; N246-R324 PolarHBondContact OD1-NH1 3.37Å; Y247-R324 WeakPolarHBondContact O-CG 3.48Å; Y247-R324 PolarHBondContact O-N 2.84Å; E249-R324 HydrophobicContact CB-CB 4.35Å; E249-R324 HydrophobicContact CG-CB 4.13Å; R324-D353 IonicContact CZ-OD2 3.68Å; R324-D353 IonicContact NH1-OD2 3.72Å; R324-D353 IonicContact NH2-OD1 3.89Å; R324-D353 IonicContact NH2-OD2 3.1Å; R324-D353 PolarHBondContact NH2-OD2 2.95Å; R324-R354 PolarHBondContact NE-O 3.21Å; R324-V355 WeakPolarHBondContact O-CA 3.04Å; R324-F356 HydrophobicContact CG-CD2 4.33Å; R324-F356 PolarHBondContact O-N 3.21Å | ||
| 325 | T | 93.3 | Very high | 94 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -86.9 | -17.4 | -175 | 63.1 | 0 | 0 | 0 | 0 | 114 | N254 F255 T272 L323 F356 R357 | N254-T325 PolarHBondContact ND2-OG1 3.34Å; N254-T325 PolarHBondContact OD1-N 3.31Å; N254-T325 PolarHBondContact OD1-OG1 3.47Å; F255-T325 HydrophobicContact CZ-CG2 4.08Å; T272-T325 HydrophobicContact CG2-CG2 3.77Å; T272-T325 WeakPolarHBondContact OG1-CG2 3.47Å; L323-T325 PolarHBondContact O-N 2.94Å; T325-F356 WeakPolarHBondContact CA-O 3.34Å; T325-R357 PolarHBondContact O-NE 3.27Å; T325-R357 PolarHBondContact O-NH2 2.98Å; T325-R357 VanDerWaalsContact O-NH2 3.08Å |
| 326 | H | 93 | Very high | 94 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | trans | -164 | 152.9 | -179.1 | 48.7 | 59 | 0 | 0 | 0 | 110.3 | N254 T328 I411 | N254-H326 PolarHBondContact O-CE1 3.02Å; N254-H326 PolarHBondContact O-NE2 3.26Å; H326-T328 PolarHBondContact O-N 2.94Å; H326-T328 VanDerWaalsContact O-N 3.15Å; H326-I411 WeakPolarHBondContact CD2-CG2 3.35Å; H326-I411 WeakPolarHBondContact NE2-CG2 3.09Å | ||
| 327 | T | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -8.4 | 177.4 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | A329 V330 S331 D353 V355 Q371 E373 | T327-A329 PolarHBondContact O-N 3.07Å; T327-A329 VanDerWaalsContact O-N 3.16Å; T327-V330 WeakPolarHBondContact O-CA 3.49Å; T327-V330 VanDerWaalsContact O-CB 3.28Å; T327-V330 WeakPolarHBondContact O-CB 3.42Å; T327-V330 PolarHBondContact O-N 3.36Å; T327-S331 PolarHBondContact O-N 3.14Å; T327-D353 HydrophobicContact CG2-CB 4.18Å; T327-V355 HydrophobicContact CG2-CG1 3.87Å; T327-Q371 HydrophobicContact CG2-CB 4.27Å; T327-Q371 PolarHBondContact OG1-NE2 3.5Å; T327-E373 WeakPolarHBondContact OG1-CB 3.39Å; T327-E373 PolarHBondContact OG1-OE2 2.81Å |
| 328 | T | 93.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 5% | 0.049 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62 | -23 | 178.2 | -41 | 0 | 0 | 0 | 0 | 113.8 | L258 H326 V330 S331 A332 E373 I422 | L258-T328 HydrophobicContact CD1-CG2 3.71Å; L258-T328 HydrophobicContact CD2-CG2 3.8Å; L258-T328 HydrophobicContact CG-CG2 4.42Å; H326-T328 PolarHBondContact O-N 2.94Å; H326-T328 VanDerWaalsContact O-N 3.15Å; T328-V330 VanDerWaalsContact C-N 3.28Å; T328-V330 PolarHBondContact O-N 2.88Å; T328-S331 WeakPolarHBondContact O-CB 3.25Å; T328-S331 PolarHBondContact O-N 3.37Å; T328-A332 PolarHBondContact O-N 3.5Å; T328-E373 VanDerWaalsContact CA-OE1 3.24Å; T328-E373 WeakPolarHBondContact CA-OE1 2.98Å; T328-E373 WeakPolarHBondContact CA-OE2 3.32Å; T328-E373 WeakPolarHBondContact CB-OE2 3.41Å; T328-E373 PolarHBondContact N-OE2 3.34Å; T328-E373 VanDerWaalsContact N-OE2 3.1Å; T328-E373 PolarHBondContact OG1-OE2 3Å; T328-I422 HydrophobicContact CG2-CD1 3.61Å |
| 329 | A | 92.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -40.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E249 N254 T327 A332 R333 | E249-A329 HydrophobicContact CG-CB 4.15Å; N254-A329 HydrophobicContact CB-CB 4.31Å; T327-A329 PolarHBondContact O-N 3.07Å; T327-A329 VanDerWaalsContact O-N 3.16Å; A329-A332 WeakPolarHBondContact O-CB 3.34Å; A329-A332 PolarHBondContact O-N 3.34Å; A329-R333 PolarHBondContact O-N 2.98Å; A329-R333 VanDerWaalsContact O-N 3.12Å |
| 330 | V | 94.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.018 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | M242 P243 T244 T327 T328 A332 R333 M334 | M242-V330 HydrophobicContact CB-CG1 3.91Å; M242-V330 HydrophobicContact SD-CG1 4.36Å; P243-V330 WeakPolarHBondContact O-CG1 3.42Å; T244-V330 HydrophobicContact CG2-CG1 4.12Å; T244-V330 HydrophobicContact CG2-CG2 4.17Å; T327-V330 WeakPolarHBondContact O-CA 3.49Å; T327-V330 VanDerWaalsContact O-CB 3.28Å; T327-V330 WeakPolarHBondContact O-CB 3.42Å; T327-V330 PolarHBondContact O-N 3.36Å; T328-V330 VanDerWaalsContact C-N 3.28Å; T328-V330 PolarHBondContact O-N 2.88Å; V330-A332 VanDerWaalsContact C-N 3.3Å; V330-A332 PolarHBondContact O-N 3.05Å; V330-R333 WeakPolarHBondContact O-CB 3.33Å; V330-R333 PolarHBondContact O-N 2.66Å; V330-M334 HydrophobicContact CG1-CG 4.46Å; V330-M334 WeakPolarHBondContact O-CG 3.48Å; V330-M334 PolarHBondContact O-N 2.96Å |
| 331 | S | 93.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.7 | -39.3 | 173.5 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | T327 T328 M334 L335 E373 | T327-S331 PolarHBondContact O-N 3.14Å; T328-S331 WeakPolarHBondContact O-CB 3.25Å; T328-S331 PolarHBondContact O-N 3.37Å; S331-M334 PolarHBondContact O-N 3.37Å; S331-L335 WeakPolarHBondContact O-CB 3.41Å; S331-L335 VanDerWaalsContact O-CG 3.3Å; S331-L335 WeakPolarHBondContact O-CG 3.48Å; S331-L335 PolarHBondContact O-N 2.99Å; S331-E373 WeakPolarHBondContact CB-OE1 3.42Å; S331-E373 PolarHBondContact OG-OE1 3.23Å |
| 332 | A | 92.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 5% | 0.05 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | W253 S257 L258 T328 A329 V330 M334 L335 H336 | W253-A332 HydrophobicContact CE3-CB 4.05Å; W253-A332 HydrophobicContact CZ3-CB 4.25Å; S257-A332 WeakPolarHBondContact OG-CB 3.38Å; L258-A332 HydrophobicContact CD2-CB 3.68Å; L258-A332 HydrophobicContact CG-CB 4.21Å; T328-A332 PolarHBondContact O-N 3.5Å; A329-A332 WeakPolarHBondContact O-CB 3.34Å; A329-A332 PolarHBondContact O-N 3.34Å; V330-A332 VanDerWaalsContact C-N 3.3Å; V330-A332 PolarHBondContact O-N 3.05Å; A332-M334 VanDerWaalsContact C-N 3.35Å; A332-M334 PolarHBondContact O-N 3.34Å; A332-L335 PolarHBondContact O-N 3.36Å; A332-H336 WeakPolarHBondContact O-CB 3.42Å; A332-H336 PolarHBondContact O-N 2.99Å |
| 333 | R | 93.7 | Very high | 92.5 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.6 | -70.1 | 176.6 | 173.6 | -90.3 | 8.2 | 111.6 | E249 W253 A329 V330 H336 A337 | E249-R333 IonicContact OE1-CZ 2.66Å; E249-R333 IonicContact OE1-NE 2.81Å; E249-R333 PolarHBondContact OE1-NE 3.32Å; E249-R333 IonicContact OE1-NH2 3.62Å; E249-R333 IonicContact OE2-CZ 2.72Å; E249-R333 IonicContact OE2-NE 3.8Å; E249-R333 PolarHBondContact OE2-NE 3.01Å; E249-R333 IonicContact OE2-NH2 2.71Å; E249-R333 PolarHBondContact OE2-NH2 2.93Å; W253-R333 HydrophobicContact CD2-CG 3.58Å; W253-R333 HydrophobicContact CE3-CB 4.43Å; W253-R333 HydrophobicContact CE3-CG 3.51Å; W253-R333 HydrophobicContact CG-CG 4.11Å; W253-R333 HydrophobicContact CH2-CG 4.29Å; W253-R333 HydrophobicContact CZ2-CG 4.32Å; W253-R333 HydrophobicContact CZ3-CB 4.41Å; W253-R333 HydrophobicContact CZ3-CG 3.89Å; A329-R333 PolarHBondContact O-N 2.98Å; A329-R333 VanDerWaalsContact O-N 3.12Å; V330-R333 WeakPolarHBondContact O-CB 3.33Å; V330-R333 PolarHBondContact O-N 2.66Å; R333-H336 PolarHBondContact O-N 2.86Å; R333-A337 WeakPolarHBondContact O-CB 3.35Å; R333-A337 PolarHBondContact O-N 2.88Å |
| 334 | M | 93.8 | Very high | 92.2 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 17% | 0.167 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 178.9 | -69.7 | -57.5 | -63.6 | 0 | 0 | 112.5 | M242 P243 V330 S331 A332 A337 L338 Y349 | M242-M334 HydrophobicContact CB-CG 4.08Å; M242-M334 HydrophobicContact CG-CG 3.78Å; M242-M334 HydrophobicContact SD-CB 3.99Å; M242-M334 HydrophobicContact SD-CG 3.61Å; P243-M334 HydrophobicContact CG-SD 4.28Å; V330-M334 HydrophobicContact CG1-CG 4.46Å; V330-M334 WeakPolarHBondContact O-CG 3.48Å; V330-M334 PolarHBondContact O-N 2.96Å; S331-M334 PolarHBondContact O-N 3.37Å; A332-M334 VanDerWaalsContact C-N 3.35Å; A332-M334 PolarHBondContact O-N 3.34Å; M334-A337 PolarHBondContact O-N 2.83Å; M334-L338 VanDerWaalsContact O-CB 3.3Å; M334-L338 WeakPolarHBondContact O-CB 3.38Å; M334-L338 PolarHBondContact O-N 2.8Å; M334-Y349 HydrophobicContact CB-CD2 4.48Å; M334-Y349 HydrophobicContact CE-CD1 4.04Å; M334-Y349 HydrophobicContact CE-CE1 3.62Å; M334-Y349 HydrophobicContact CE-CE2 4.34Å |
| 335 | L | 93.2 | Very high | 92.1 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 174.2 | -75.3 | 169.3 | 0 | 0 | 0 | 112.2 | S331 A332 L338 S339 L375 A377 V424 | S331-L335 WeakPolarHBondContact O-CB 3.41Å; S331-L335 VanDerWaalsContact O-CG 3.3Å; S331-L335 WeakPolarHBondContact O-CG 3.48Å; S331-L335 PolarHBondContact O-N 2.99Å; A332-L335 PolarHBondContact O-N 3.36Å; L335-L338 PolarHBondContact O-N 3.07Å; L335-S339 WeakPolarHBondContact O-CB 3.38Å; L335-S339 PolarHBondContact O-N 2.84Å; L335-L375 HydrophobicContact CD1-CD1 4.13Å; L335-L375 HydrophobicContact CD1-CD2 4.02Å; L335-L375 HydrophobicContact CD2-CD1 4.15Å; L335-L375 HydrophobicContact CD2-CD2 3.73Å; L335-L375 HydrophobicContact CD2-CG 4.44Å; L335-L375 HydrophobicContact CG-CD1 4.41Å; L335-L375 HydrophobicContact CG-CD2 3.61Å; L335-A377 HydrophobicContact CD2-CB 4.19Å; L335-V424 HydrophobicContact CD1-CG2 3.78Å; L335-V424 HydrophobicContact CD2-CB 4.19Å; L335-V424 HydrophobicContact CD2-CG1 4.21Å; L335-V424 HydrophobicContact CD2-CG2 3.96Å |
| 336 | H | 92.6 | Very high | 92.1 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 11% | 0.106 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 173.9 | 179.2 | 46.8 | 0 | 0 | 0 | 111 | W253 Y291 A332 R333 L338 S339 K340 | W253-H336 HydrophobicContact CH2-CB 3.8Å; W253-H336 AromaticContact CH2-CD2 3.53Å; W253-H336 AromaticContact CH2-CG 3.87Å; W253-H336 HydrophobicContact CZ3-CB 4.1Å; Y291-H336 AromaticContact CD1-CE1 3.98Å; Y291-H336 AromaticContact CG-CE1 3.87Å; A332-H336 WeakPolarHBondContact O-CB 3.42Å; A332-H336 PolarHBondContact O-N 2.99Å; R333-H336 PolarHBondContact O-N 2.86Å; H336-L338 VanDerWaalsContact C-N 3.33Å; H336-L338 PolarHBondContact O-N 2.72Å; H336-S339 WeakPolarHBondContact O-CB 3.32Å; H336-S339 PolarHBondContact O-N 3.39Å; H336-S339 PolarHBondContact O-OG 2.83Å; H336-K340 WeakPolarHBondContact CE1-CE 3.47Å; H336-K340 WeakPolarHBondContact NE2-CE 3.21Å; H336-K340 PolarHBondContact NE2-NZ 3.49Å; H336-K340 PolarHBondContact O-N 3.42Å |
| 337 | A | 92.9 | Very high | 92.2 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R333 M334 S339 K340 | R333-A337 WeakPolarHBondContact O-CB 3.35Å; R333-A337 PolarHBondContact O-N 2.88Å; M334-A337 PolarHBondContact O-N 2.83Å; A337-S339 VanDerWaalsContact C-N 3.31Å; A337-S339 PolarHBondContact O-N 2.79Å; A337-K340 PolarHBondContact O-N 3.1Å |
| 338 | L | 91.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 176.1 | -172.6 | 65.9 | 0 | 0 | 0 | 111.9 | M334 L335 H336 K340 K341 F344 A347 Y349 A377 | M334-L338 VanDerWaalsContact O-CB 3.3Å; M334-L338 WeakPolarHBondContact O-CB 3.38Å; M334-L338 PolarHBondContact O-N 2.8Å; L335-L338 PolarHBondContact O-N 3.07Å; H336-L338 VanDerWaalsContact C-N 3.33Å; H336-L338 PolarHBondContact O-N 2.72Å; L338-K340 PolarHBondContact O-N 2.88Å; L338-K341 HydrophobicContact CD1-CD 4.2Å; L338-K341 WeakPolarHBondContact O-CB 3.47Å; L338-K341 PolarHBondContact O-N 2.81Å; L338-F344 HydrophobicContact CD2-CD2 4.44Å; L338-F344 HydrophobicContact CD2-CE2 3.68Å; L338-F344 HydrophobicContact CD2-CZ 4.39Å; L338-F344 HydrophobicContact CG-CD2 4.29Å; L338-F344 HydrophobicContact CG-CE2 4.02Å; L338-A347 HydrophobicContact CD1-CB 4.25Å; L338-A347 HydrophobicContact CD2-CB 4.05Å; L338-Y349 HydrophobicContact CD2-CE2 4.33Å; L338-A377 HydrophobicContact CD2-CB 3.71Å |
| 339 | S | 89 | Confident | 92.4 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 58% | 0.58 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.7 | -23.3 | 179.6 | 78.4 | 0 | 0 | 0 | 0 | 113.5 | L335 H336 A337 K341 | L335-S339 WeakPolarHBondContact O-CB 3.38Å; L335-S339 PolarHBondContact O-N 2.84Å; H336-S339 WeakPolarHBondContact O-CB 3.32Å; H336-S339 PolarHBondContact O-N 3.39Å; H336-S339 PolarHBondContact O-OG 2.83Å; A337-S339 VanDerWaalsContact C-N 3.31Å; A337-S339 PolarHBondContact O-N 2.79Å; S339-K341 VanDerWaalsContact C-N 3.34Å |
| 340 | K | 90.1 | Very high | 92.6 | Very high | 108 Ų | 108 | 53.4 Ų | 53.4 | 47% | 0.47 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15 | 176.5 | -61.4 | -177.3 | -174.2 | -176.6 | 0 | 113 | E288 H336 A337 L338 | E288-K340 VanDerWaalsContact OE1-CE 3.31Å; E288-K340 WeakPolarHBondContact OE1-CE 3.21Å; E288-K340 IonicContact OE1-NZ 2.66Å; E288-K340 PolarHBondContact OE1-NZ 3.34Å; E288-K340 IonicContact OE2-NZ 3.59Å; H336-K340 WeakPolarHBondContact CE1-CE 3.47Å; H336-K340 WeakPolarHBondContact NE2-CE 3.21Å; H336-K340 PolarHBondContact NE2-NZ 3.49Å; H336-K340 PolarHBondContact O-N 3.42Å; A337-K340 PolarHBondContact O-N 3.1Å; L338-K340 PolarHBondContact O-N 2.88Å |
| 341 | K | 89.9 | Confident | 92.7 | Very high | 115 Ų | 115 | 53.2 Ų | 53.2 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | trans | -75.7 | 127.7 | 177.9 | -63.7 | -168 | -178.6 | 179.7 | 0 | 110.6 | L338 S339 P343 F344 | L338-K341 HydrophobicContact CD1-CD 4.2Å; L338-K341 WeakPolarHBondContact O-CB 3.47Å; L338-K341 PolarHBondContact O-N 2.81Å; S339-K341 VanDerWaalsContact C-N 3.34Å; K341-P343 CarbonylContact C-O 3.55Å; K341-P343 CarbonylContact O-C 3.43Å; K341-F344 PolarHBondContact O-N 2.96Å | ||
| 342 | N | 88.3 | Confident | 92.7 | Very high | 160 Ų | 160 | 53.5 Ų | 53.5 | 86% | 0.856 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -126.9 | 117 | 173.5 | -166.5 | 13.4 | 0 | 0 | 0 | 109.6 | ||
| 343 | P | 89.1 | Confident | 92.8 | Very high | 102 Ų | 102 | 54 Ų | 54 | 66% | 0.662 | 29% | 0.29 | S | S | * | . | S | Bend | cis | -69.3 | 158.4 | -0.3 | 30.9 | -35.6 | 0 | 0 | 0 | 112.8 | K341 T345 | K341-P343 CarbonylContact C-O 3.55Å; K341-P343 CarbonylContact O-C 3.43Å; P343-T345 PolarHBondContact O-N 3.4Å |
| 344 | F | 90.7 | Very high | 92.8 | Very high | 31 Ų | 31 | 53.8 Ų | 53.8 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | trans | -62.7 | 131.9 | 169.8 | 168.4 | -92.7 | 0 | 0 | 0 | 109.6 | L338 K341 P346 A377 F379 K426 | L338-F344 HydrophobicContact CD2-CD2 4.44Å; L338-F344 HydrophobicContact CD2-CE2 3.68Å; L338-F344 HydrophobicContact CD2-CZ 4.39Å; L338-F344 HydrophobicContact CG-CD2 4.29Å; L338-F344 HydrophobicContact CG-CE2 4.02Å; K341-F344 PolarHBondContact O-N 2.96Å; F344-P346 HydrophobicContact CE1-CG 4.16Å; F344-A377 HydrophobicContact CE2-CB 4.47Å; F344-A377 HydrophobicContact CZ-CB 4.17Å; F344-F379 HydrophobicContact CD1-CD2 4.4Å; F344-F379 HydrophobicContact CD1-CE1 4.04Å; F344-F379 AromaticContact CD1-CE2 3.57Å; F344-F379 HydrophobicContact CD1-CE2 3.57Å; F344-F379 AromaticContact CD1-CZ 3.39Å; F344-F379 HydrophobicContact CD1-CZ 3.39Å; F344-F379 HydrophobicContact CE1-CD2 4.23Å; F344-F379 HydrophobicContact CE1-CE1 4.45Å; F344-F379 AromaticContact CE1-CE2 3.82Å; F344-F379 HydrophobicContact CE1-CE2 3.82Å; F344-F379 AromaticContact CE1-CZ 3.98Å; F344-F379 HydrophobicContact CE1-CZ 3.98Å; F344-F379 HydrophobicContact CG-CZ 4.37Å; F344-K426 HydrophobicContact CB-CD 3.78Å; F344-K426 HydrophobicContact CD1-CD 3.78Å; F344-K426 HydrophobicContact CD2-CD 4.06Å; F344-K426 HydrophobicContact CE1-CD 4.35Å; F344-K426 HydrophobicContact CG-CD 3.6Å | ||
| 345 | T | 92.7 | Very high | 92.8 | Very high | 78 Ų | 78 | 52.1 Ų | 52.1 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | trans | -112.3 | 126.2 | 175 | -47 | 0 | 0 | 0 | 0 | 108.6 | P343 | P343-T345 PolarHBondContact O-N 3.4Š| ||
| 346 | P | 93.4 | Very high | 92.8 | Very high | 60 Ų | 60 | 51.3 Ų | 51.3 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | trans | -54.3 | 142.3 | 172.5 | -27.1 | 36.1 | 0 | 0 | 0 | 111.8 | F344 A377 D378 F379 | F344-P346 HydrophobicContact CE1-CG 4.16Å; P346-A377 CarbonylContact C-O 3.52Å; P346-A377 WeakPolarHBondContact CA-O 3.34Å; P346-D378 HydrophobicContact CB-CB 4.2Å; P346-D378 WeakPolarHBondContact CB-OD1 3.45Å; P346-D378 WeakPolarHBondContact CG-OD1 3.39Å; P346-F379 HydrophobicContact CG-CD2 4.25Å; P346-F379 HydrophobicContact CG-CE2 4.18Å | ||
| 347 | A | 94.5 | Very high | 92.7 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 12% | 0.116 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 147.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L338 Y349 A377 | L338-A347 HydrophobicContact CD1-CB 4.25Å; L338-A347 HydrophobicContact CD2-CB 4.05Å; A347-Y349 HydrophobicContact CB-CD2 4.08Å; A347-Y349 HydrophobicContact CB-CE1 4.45Å; A347-Y349 HydrophobicContact CB-CE2 3.44Å; A347-Y349 VanDerWaalsContact CB-CE2 3.44Å; A347-A377 PolarHBondContact N-O 3.21Å; A347-A377 PolarHBondContact O-N 3.43Å |
| 348 | K | 96.2 | Very high | 92.5 | Very high | 91 Ų | 91 | 50.8 Ų | 50.8 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.5 | 171.3 | -63.7 | 176.7 | -178.7 | 171.2 | 0 | 107.8 | M237 F239 S240 L375 V376 | M237-K348 PolarHBondContact O-NZ 2.97Å; F239-K348 HydrophobicContact CB-CB 4.3Å; F239-K348 HydrophobicContact CD1-CB 3.88Å; F239-K348 HydrophobicContact CD2-CB 4.15Å; F239-K348 HydrophobicContact CD2-CD 4.17Å; F239-K348 HydrophobicContact CE1-CB 4.18Å; F239-K348 HydrophobicContact CE2-CB 4.43Å; F239-K348 HydrophobicContact CE2-CD 4.08Å; F239-K348 HydrophobicContact CG-CB 3.85Å; F239-K348 HydrophobicContact CZ-CB 4.44Å; S240-K348 PolarHBondContact N-O 2.9Å; K348-L375 CarbonylContact C-O 3.51Å; K348-L375 VanDerWaalsContact CA-O 3.31Å; K348-L375 WeakPolarHBondContact CA-O 3.23Å; K348-V376 HydrophobicContact CG-CG1 4.06Å; K348-V376 HydrophobicContact CG-CG2 4.12Å |
| 349 | Y | 96.5 | Very high | 92 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.9 | -174.3 | -70.4 | -56.9 | 0 | 0 | 0 | 111 | F239 S240 M242 M334 L338 A347 G374 L375 | F239-Y349 VanDerWaalsContact CD1-O 3.32Å; F239-Y349 WeakPolarHBondContact CD1-O 3.34Å; S240-Y349 CarbonylContact O-C 3.56Å; S240-Y349 VanDerWaalsContact O-CA 3.27Å; S240-Y349 WeakPolarHBondContact O-CA 3.45Å; M242-Y349 HydrophobicContact CG-CD1 4.1Å; M242-Y349 HydrophobicContact CG-CG 4.04Å; M242-Y349 HydrophobicContact SD-CG 4.3Å; M334-Y349 HydrophobicContact CB-CD2 4.48Å; M334-Y349 HydrophobicContact CE-CD1 4.04Å; M334-Y349 HydrophobicContact CE-CE1 3.62Å; M334-Y349 HydrophobicContact CE-CE2 4.34Å; L338-Y349 HydrophobicContact CD2-CE2 4.33Å; A347-Y349 HydrophobicContact CB-CD2 4.08Å; A347-Y349 HydrophobicContact CB-CE1 4.45Å; A347-Y349 HydrophobicContact CB-CE2 3.44Å; A347-Y349 VanDerWaalsContact CB-CE2 3.44Å; Y349-G374 CarbonylContact O-C 3.52Å; Y349-G374 WeakPolarHBondContact O-CA 3.47Å; Y349-L375 HydrophobicContact CD2-CD2 3.95Å; Y349-L375 PolarHBondContact N-O 2.96Å; Y349-L375 PolarHBondContact O-N 3.44Å |
| 350 | Y | 96.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 157.4 | 172.2 | 81.7 | -87.1 | 0 | 0 | 0 | 112.1 | C231 L234 C235 F239 S240 E241 M242 I352 E373 | C231-Y350 HydrophobicContact CB-CE2 4.29Å; L234-Y350 HydrophobicContact CB-CD1 3.9Å; L234-Y350 HydrophobicContact CB-CD2 4.14Å; L234-Y350 HydrophobicContact CB-CE1 4.26Å; L234-Y350 HydrophobicContact CB-CG 3.81Å; L234-Y350 HydrophobicContact CD1-CD2 3.61Å; L234-Y350 HydrophobicContact CD1-CE2 4.37Å; L234-Y350 HydrophobicContact CD1-CG 3.83Å; L234-Y350 HydrophobicContact CG-CD2 4.46Å; L234-Y350 HydrophobicContact CG-CG 4.31Å; C235-Y350 PolarHBondContact SG-OH 3.31Å; C235-Y350 VanDerWaalsContact SG-OH 3.4Å; F239-Y350 HydrophobicContact CB-CD1 3.64Å; F239-Y350 HydrophobicContact CB-CG 4.3Å; S240-Y350 VanDerWaalsContact C-CD1 3.48Å; S240-Y350 WeakPolarHBondContact O-CD1 3.41Å; S240-Y350 PolarHBondContact O-N 3.01Å; E241-Y350 CarbonylContact C-O 3.47Å; E241-Y350 WeakPolarHBondContact CA-O 3.46Å; E241-Y350 HydrophobicContact CB-CD1 4.43Å; E241-Y350 HydrophobicContact CB-CE1 3.75Å; E241-Y350 HydrophobicContact CB-CE2 4.19Å; E241-Y350 HydrophobicContact CG-CE1 4.4Å; E241-Y350 HydrophobicContact CG-CE2 3.93Å; E241-Y350 VanDerWaalsContact N-CE1 3.35Å; E241-Y350 PolarHBondContact OE2-OH 2.93Å; M242-Y350 VanDerWaalsContact CE-C 3.46Å; M242-Y350 PolarHBondContact N-O 3.49Å; Y350-I352 HydrophobicContact CD2-CG1 4.31Å; Y350-I352 HydrophobicContact CE2-CG1 4.47Å; Y350-E373 CarbonylContact C-O 3.52Å; Y350-E373 WeakPolarHBondContact CA-O 3.5Å; Y350-E373 WeakPolarHBondContact CB-O 3.48Å |
| 351 | S | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148.4 | 169.2 | 54.5 | 0 | 0 | 0 | 0 | 111 | M242 T244 V372 E373 | M242-S351 WeakPolarHBondContact CE-OG 3.32Å; T244-S351 VanDerWaalsContact CG2-CB 3.49Å; S351-V372 WeakPolarHBondContact O-CA 3.48Å; S351-E373 PolarHBondContact N-O 3.12Å; S351-E373 PolarHBondContact O-N 3.23Å |
| 352 | I | 94.4 | Very high | 90 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 104 | 169.6 | -49.7 | -172.6 | 0 | 0 | 0 | 107.5 | R227 F230 C231 Y350 V372 | R227-I352 HydrophobicContact CG-CB 4.34Å; R227-I352 HydrophobicContact CG-CD1 4.25Å; R227-I352 HydrophobicContact CG-CG2 3.91Å; F230-I352 HydrophobicContact CB-CD1 3.61Å; C231-I352 VanDerWaalsContact SG-CD1 3.57Å; Y350-I352 HydrophobicContact CD2-CG1 4.31Å; Y350-I352 HydrophobicContact CE2-CG1 4.47Å; I352-V372 HydrophobicContact CB-CG2 4.46Å; I352-V372 HydrophobicContact CD1-CG1 4.28Å; I352-V372 HydrophobicContact CD1-CG2 4.07Å; I352-V372 HydrophobicContact CG1-CB 4.38Å; I352-V372 HydrophobicContact CG1-CG1 4.02Å; I352-V372 HydrophobicContact CG1-CG2 3.99Å; I352-V372 HydrophobicContact CG2-CG2 3.93Å |
| 353 | D | 94.9 | Very high | 89.4 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 165.2 | -178.8 | -148.9 | -11.1 | 0 | 0 | 0 | 113.3 | T244 R324 T327 H370 Q371 | T244-D353 WeakPolarHBondContact CB-OD2 3.37Å; T244-D353 HydrophobicContact CG2-CB 4Å; T244-D353 PolarHBondContact OG1-OD2 3.44Å; R324-D353 IonicContact CZ-OD2 3.68Å; R324-D353 IonicContact NH1-OD2 3.72Å; R324-D353 IonicContact NH2-OD1 3.89Å; R324-D353 IonicContact NH2-OD2 3.1Å; R324-D353 PolarHBondContact NH2-OD2 2.95Å; T327-D353 HydrophobicContact CG2-CB 4.18Å; D353-H370 CarbonylContact O-C 3.56Å; D353-H370 WeakPolarHBondContact O-CA 3.36Å; D353-Q371 PolarHBondContact N-O 3.04Å; D353-Q371 PolarHBondContact O-N 3.39Å |
| 354 | R | 93.1 | Very high | 88.7 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.3 | 179.5 | -168 | -175.8 | -61.6 | -158 | -0.1 | 111.6 | Y247 R324 F356 E368 F369 | Y247-R354 HydrophobicContact CE1-CB 4.28Å; R324-R354 PolarHBondContact NE-O 3.21Å; R354-F356 HydrophobicContact CG-CE1 4.38Å; R354-F356 HydrophobicContact CG-CZ 4.16Å; R354-E368 WeakPolarHBondContact CD-OE2 3.37Å; R354-E368 HydrophobicContact CG-CB 4.2Å; R354-E368 IonicContact CZ-OE1 2.86Å; R354-E368 IonicContact CZ-OE2 2.96Å; R354-E368 IonicContact NE-OE2 3.24Å; R354-E368 IonicContact NH1-OE1 2.72Å; R354-E368 PolarHBondContact NH1-OE1 3.11Å; R354-E368 IonicContact NH1-OE2 3.12Å; R354-E368 PolarHBondContact NH1-OE2 3.16Å; R354-F369 CarbonylContact C-O 3.48Å; R354-F369 WeakPolarHBondContact CA-O 3.28Å |
| 355 | V | 93.9 | Very high | 88 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 156.9 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | R324 T327 E368 F369 Q371 | R324-V355 WeakPolarHBondContact O-CA 3.04Å; T327-V355 HydrophobicContact CG2-CG1 3.87Å; V355-E368 WeakPolarHBondContact O-CA 3.3Å; V355-F369 HydrophobicContact CG2-CD1 4.37Å; V355-F369 HydrophobicContact CG2-CD2 3.84Å; V355-F369 HydrophobicContact CG2-CE1 4.03Å; V355-F369 HydrophobicContact CG2-CE2 3.44Å; V355-F369 VanDerWaalsContact CG2-CE2 3.44Å; V355-F369 HydrophobicContact CG2-CG 4.28Å; V355-F369 HydrophobicContact CG2-CZ 3.53Å; V355-F369 WeakPolarHBondContact CG2-O 3.38Å; V355-F369 PolarHBondContact N-O 3.02Å; V355-F369 PolarHBondContact O-N 2.81Å; V355-F369 VanDerWaalsContact O-N 3.1Å; V355-Q371 HydrophobicContact CG1-CB 4.03Å; V355-Q371 HydrophobicContact CG2-CB 4.11Å |
| 356 | F | 93.9 | Very high | 87.6 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 10% | 0.101 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.4 | -172.5 | -52.3 | -92.3 | 0 | 0 | 0 | 109.9 | Y247 F273 L323 R324 T325 R354 A367 E368 | Y247-F356 AromaticContact CD1-CE2 3.8Å; Y247-F356 HydrophobicContact CD1-CE2 3.8Å; Y247-F356 HydrophobicContact CD1-CZ 4.03Å; Y247-F356 HydrophobicContact CG-CE2 4.04Å; Y247-F356 HydrophobicContact CG-CZ 4.16Å; F273-F356 HydrophobicContact CD2-CB 3.95Å; F273-F356 HydrophobicContact CE2-CB 4.43Å; L323-F356 HydrophobicContact CB-CB 3.72Å; L323-F356 HydrophobicContact CB-CD2 3.71Å; L323-F356 HydrophobicContact CB-CG 3.8Å; L323-F356 HydrophobicContact CD1-CB 4.2Å; L323-F356 HydrophobicContact CD1-CD1 4.08Å; L323-F356 HydrophobicContact CD1-CD2 4.44Å; L323-F356 HydrophobicContact CD1-CG 3.99Å; L323-F356 HydrophobicContact CG-CD2 4.49Å; L323-F356 HydrophobicContact CG-CG 4.46Å; R324-F356 HydrophobicContact CG-CD2 4.33Å; R324-F356 PolarHBondContact O-N 3.21Å; T325-F356 WeakPolarHBondContact CA-O 3.34Å; R354-F356 HydrophobicContact CG-CE1 4.38Å; R354-F356 HydrophobicContact CG-CZ 4.16Å; F356-A367 CarbonylContact C-O 3.57Å; F356-A367 WeakPolarHBondContact CA-O 3.39Å; F356-E368 HydrophobicContact CD1-CB 3.85Å; F356-E368 HydrophobicContact CE1-CB 4.07Å; F356-E368 WeakPolarHBondContact CE1-OE2 3.49Å |
| 357 | R | 90 | Very high | 87.4 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | trans | -135.8 | 136.4 | 174.9 | -64.8 | -165.7 | -177.6 | 142.1 | 17.1 | 109.9 | F273 T325 E359 A367 F369 K417 | F273-R357 VanDerWaalsContact CE2-O 3.24Å; F273-R357 WeakPolarHBondContact CE2-O 2.88Å; T325-R357 PolarHBondContact O-NE 3.27Å; T325-R357 PolarHBondContact O-NH2 2.98Å; T325-R357 VanDerWaalsContact O-NH2 3.08Å; R357-E359 HydrophobicContact CB-CG 4.08Å; R357-E359 WeakPolarHBondContact CD-OE1 3.12Å; R357-E359 PolarHBondContact O-N 3.07Å; R357-A367 PolarHBondContact N-O 3.49Å; R357-A367 WeakPolarHBondContact O-CA 3.47Å; R357-F369 HydrophobicContact CG-CE1 4.23Å; R357-K417 VanDerWaalsContact CZ-NZ 3.35Å | ||
| 358 | N | 88 | Confident | 87.3 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | trans | -80.9 | 61.2 | 176.9 | -164.8 | 12.1 | 0 | 0 | 0 | 109.4 | A269 D271 F273 | A269-N358 PolarHBondContact O-ND2 2.81Å; D271-N358 PolarHBondContact O-N 3.07Å; F273-N358 HydrophobicContact CD1-CB 3.91Å; F273-N358 HydrophobicContact CD2-CB 4.33Å; F273-N358 HydrophobicContact CE1-CB 3.66Å; F273-N358 VanDerWaalsContact CE1-OD1 3.23Å; F273-N358 WeakPolarHBondContact CE1-OD1 2.98Å; F273-N358 HydrophobicContact CE2-CB 4.13Å; F273-N358 HydrophobicContact CG-CB 4.24Å; F273-N358 HydrophobicContact CZ-CB 3.79Å | ||
| 359 | E | 81.8 | Confident | 87 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | trans | -93.3 | 147.3 | 173.8 | -67.7 | -179.9 | -162.6 | 0 | 0 | 108.9 | R357 L361 H365 | R357-E359 HydrophobicContact CB-CG 4.08Å; R357-E359 WeakPolarHBondContact CD-OE1 3.12Å; R357-E359 PolarHBondContact O-N 3.07Å; E359-L361 PolarHBondContact O-N 3.14Å; E359-H365 IonicContact OE2-CD2 3.95Å; E359-H365 IonicContact OE2-CG 2.87Å | ||
| 360 | N | 76.1 | Confident | 86.8 | Confident | 151 Ų | 151 | 56.4 Ų | 56.4 | 81% | 0.807 | 31% | 0.306 | S | S | * | . | trans | -57.3 | 125.8 | 173.8 | -77.5 | -19.4 | 0 | 0 | 0 | 109.3 | D362 | N360-D362 PolarHBondContact O-N 3.03Å; N360-D362 VanDerWaalsContact O-N 3.1Å | ||
| 361 | L | 73.7 | Confident | 86.5 | Confident | 135 Ų | 135 | 56.2 Ų | 56.2 | 71% | 0.707 | 31% | 0.305 | S | S | * | . | trans | -60.9 | 115.2 | 177.6 | -67.5 | 170.2 | 0 | 0 | 0 | 109.4 | E359 A367 | E359-L361 PolarHBondContact O-N 3.14Å; L361-A367 HydrophobicContact CD2-CB 3.96Å | ||
| 362 | D | 77.8 | Confident | 86.4 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | trans | -127.6 | 176.6 | 167.8 | 74.2 | 32 | 0 | 0 | 0 | 109.8 | N360 T364 H365 | N360-D362 PolarHBondContact O-N 3.03Å; N360-D362 VanDerWaalsContact O-N 3.1Å; D362-T364 PolarHBondContact O-N 2.97Å; D362-T364 WeakPolarHBondContact OD1-CA 3.47Å; D362-T364 PolarHBondContact OD1-N 3.24Å; D362-T364 PolarHBondContact OD1-OG1 3.21Å; D362-H365 PolarHBondContact N-O 2.91Å; D362-H365 PolarHBondContact O-N 3.19Å; D362-H365 WeakPolarHBondContact OD1-CB 3.47Å; D362-H365 IonicContact OD1-CE1 2.69Å; D362-H365 IonicContact OD1-CG 3.43Å; D362-H365 PolarHBondContact OD1-N 2.83Å; D362-H365 IonicContact OD1-ND1 3.18Å; D362-H365 PolarHBondContact OD1-ND1 3.24Å; D362-H365 IonicContact OD2-CE1 3.54Å; D362-H365 IonicContact OD2-CG 3.83Å; D362-H365 IonicContact OD2-ND1 2.67Å; D362-H365 PolarHBondContact OD2-ND1 3.38Å | ||
| 363 | A | 75.5 | Confident | 86.3 | Confident | 112 Ų | 112 | 56.5 Ų | 56.5 | 93% | 0.926 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -59.4 | -15.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 364 | T | 73.5 | Confident | 86.2 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 64% | 0.638 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -119 | -18.8 | -175 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | D362 | D362-T364 PolarHBondContact O-N 2.97Å; D362-T364 WeakPolarHBondContact OD1-CA 3.47Å; D362-T364 PolarHBondContact OD1-N 3.24Å; D362-T364 PolarHBondContact OD1-OG1 3.21Å |
| 365 | H | 76 | Confident | 86.2 | Confident | 37 Ų | 37 | 52 Ų | 52 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | trans | -116.3 | 103.9 | -176.3 | -58.8 | 93.7 | 0 | 0 | 0 | 109.7 | E359 D362 V415 | E359-H365 IonicContact OE2-CD2 3.95Å; E359-H365 IonicContact OE2-CG 2.87Å; D362-H365 PolarHBondContact N-O 2.91Å; D362-H365 PolarHBondContact O-N 3.19Å; D362-H365 WeakPolarHBondContact OD1-CB 3.47Å; D362-H365 IonicContact OD1-CE1 2.69Å; D362-H365 IonicContact OD1-CG 3.43Å; D362-H365 PolarHBondContact OD1-N 2.83Å; D362-H365 IonicContact OD1-ND1 3.18Å; D362-H365 PolarHBondContact OD1-ND1 3.24Å; D362-H365 IonicContact OD2-CE1 3.54Å; D362-H365 IonicContact OD2-CG 3.83Å; D362-H365 IonicContact OD2-ND1 2.67Å; D362-H365 PolarHBondContact OD2-ND1 3.38Å; H365-V415 WeakPolarHBondContact NE2-CG1 3.47Å | ||
| 366 | L | 84.8 | Confident | 86.2 | Confident | 115 Ų | 115 | 52.6 Ų | 52.6 | 60% | 0.602 | 29% | 0.292 | S | S | * | . | trans | -86.1 | 144.2 | 170 | -61.3 | 176.8 | 0 | 0 | 0 | 109.4 | E368 | L366-E368 WeakPolarHBondContact CB-O 3.46Å; L366-E368 PolarHBondContact O-N 2.85Å | ||
| 367 | A | 89.6 | Confident | 86.1 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -61.8 | -22.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F273 F356 R357 L361 | F273-A367 HydrophobicContact CE2-CB 4.16Å; F273-A367 HydrophobicContact CZ-CB 4.12Å; F356-A367 CarbonylContact C-O 3.57Å; F356-A367 WeakPolarHBondContact CA-O 3.39Å; R357-A367 PolarHBondContact N-O 3.49Å; R357-A367 WeakPolarHBondContact O-CA 3.47Å; L361-A367 HydrophobicContact CD2-CB 3.96Å |
| 368 | E | 91.2 | Very high | 86.3 | Confident | 85 Ų | 85 | 53.9 Ų | 53.9 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.4 | 173.1 | 56.8 | 170 | -148.4 | 0 | 0 | 111.6 | R354 V355 F356 L366 | R354-E368 WeakPolarHBondContact CD-OE2 3.37Å; R354-E368 HydrophobicContact CG-CB 4.2Å; R354-E368 IonicContact CZ-OE1 2.86Å; R354-E368 IonicContact CZ-OE2 2.96Å; R354-E368 IonicContact NE-OE2 3.24Å; R354-E368 IonicContact NH1-OE1 2.72Å; R354-E368 PolarHBondContact NH1-OE1 3.11Å; R354-E368 IonicContact NH1-OE2 3.12Å; R354-E368 PolarHBondContact NH1-OE2 3.16Å; V355-E368 WeakPolarHBondContact O-CA 3.3Å; F356-E368 HydrophobicContact CD1-CB 3.85Å; F356-E368 HydrophobicContact CE1-CB 4.07Å; F356-E368 WeakPolarHBondContact CE1-OE2 3.49Å; L366-E368 WeakPolarHBondContact CB-O 3.46Å; L366-E368 PolarHBondContact O-N 2.85Å |
| 369 | F | 90.8 | Very high | 86.4 | Confident | 53 Ų | 53 | 55 Ų | 55 | 23% | 0.232 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 167.2 | 175.4 | 61 | -89 | 0 | 0 | 0 | 111 | R354 V355 R357 Q371 | R354-F369 CarbonylContact C-O 3.48Å; R354-F369 WeakPolarHBondContact CA-O 3.28Å; V355-F369 HydrophobicContact CG2-CD1 4.37Å; V355-F369 HydrophobicContact CG2-CD2 3.84Å; V355-F369 HydrophobicContact CG2-CE1 4.03Å; V355-F369 HydrophobicContact CG2-CE2 3.44Å; V355-F369 VanDerWaalsContact CG2-CE2 3.44Å; V355-F369 HydrophobicContact CG2-CG 4.28Å; V355-F369 HydrophobicContact CG2-CZ 3.53Å; V355-F369 WeakPolarHBondContact CG2-O 3.38Å; V355-F369 PolarHBondContact N-O 3.02Å; V355-F369 PolarHBondContact O-N 2.81Å; V355-F369 VanDerWaalsContact O-N 3.1Å; R357-F369 HydrophobicContact CG-CE1 4.23Å; F369-Q371 HydrophobicContact CE2-CB 4.49Å |
| 370 | H | 91.8 | Very high | 86.9 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.1 | 178.6 | -64.1 | 74.2 | 0 | 0 | 0 | 110.3 | D353 | D353-H370 CarbonylContact O-C 3.56Å; D353-H370 WeakPolarHBondContact O-CA 3.36Å |
| 371 | Q | 91 | Very high | 87.5 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130 | 175 | -174.5 | 173.6 | -65.4 | 0 | 0 | 109.5 | T327 D353 V355 F369 E373 | T327-Q371 HydrophobicContact CG2-CB 4.27Å; T327-Q371 PolarHBondContact OG1-NE2 3.5Å; D353-Q371 PolarHBondContact N-O 3.04Å; D353-Q371 PolarHBondContact O-N 3.39Å; V355-Q371 HydrophobicContact CG1-CB 4.03Å; V355-Q371 HydrophobicContact CG2-CB 4.11Å; F369-Q371 HydrophobicContact CE2-CB 4.49Å; Q371-E373 PolarHBondContact NE2-OE2 3.2Å |
| 372 | V | 92.5 | Very high | 88.2 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.5 | 168.8 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | F230 L234 S351 I352 F418 L419 V420 | F230-V372 HydrophobicContact CD1-CG1 4.26Å; F230-V372 HydrophobicContact CD1-CG2 3.86Å; F230-V372 HydrophobicContact CE1-CG2 4.34Å; L234-V372 HydrophobicContact CD1-CG1 3.96Å; S351-V372 WeakPolarHBondContact O-CA 3.48Å; I352-V372 HydrophobicContact CB-CG2 4.46Å; I352-V372 HydrophobicContact CD1-CG1 4.28Å; I352-V372 HydrophobicContact CD1-CG2 4.07Å; I352-V372 HydrophobicContact CG1-CB 4.38Å; I352-V372 HydrophobicContact CG1-CG1 4.02Å; I352-V372 HydrophobicContact CG1-CG2 3.99Å; I352-V372 HydrophobicContact CG2-CG2 3.93Å; V372-F418 WeakPolarHBondContact CB-O 3.24Å; V372-L419 HydrophobicContact CB-CD1 4.2Å; V372-L419 HydrophobicContact CG1-CD1 3.61Å; V372-L419 WeakPolarHBondContact O-CA 3.5Å; V372-V420 PolarHBondContact O-N 3.34Å; V372-V420 VanDerWaalsContact O-N 3.08Å |
| 373 | E | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.7 | 176 | -174.7 | 162.3 | 139 | 0 | 0 | 110.8 | T327 T328 S331 Y350 S351 Q371 V420 I422 | T327-E373 WeakPolarHBondContact OG1-CB 3.39Å; T327-E373 PolarHBondContact OG1-OE2 2.81Å; T328-E373 VanDerWaalsContact CA-OE1 3.24Å; T328-E373 WeakPolarHBondContact CA-OE1 2.98Å; T328-E373 WeakPolarHBondContact CA-OE2 3.32Å; T328-E373 WeakPolarHBondContact CB-OE2 3.41Å; T328-E373 PolarHBondContact N-OE2 3.34Å; T328-E373 VanDerWaalsContact N-OE2 3.1Å; T328-E373 PolarHBondContact OG1-OE2 3Å; S331-E373 WeakPolarHBondContact CB-OE1 3.42Å; S331-E373 PolarHBondContact OG-OE1 3.23Å; Y350-E373 CarbonylContact C-O 3.52Å; Y350-E373 WeakPolarHBondContact CA-O 3.5Å; Y350-E373 WeakPolarHBondContact CB-O 3.48Å; S351-E373 PolarHBondContact N-O 3.12Å; S351-E373 PolarHBondContact O-N 3.23Å; Q371-E373 PolarHBondContact NE2-OE2 3.2Å; E373-V420 CarbonylContact C-O 3.55Å; E373-V420 WeakPolarHBondContact CA-O 3.37Å; E373-V420 HydrophobicContact CB-CB 4.37Å; E373-V420 HydrophobicContact CG-CB 3.95Å; E373-V420 HydrophobicContact CG-CG1 4.19Å; E373-V420 WeakPolarHBondContact CG-O 3.41Å; E373-I422 WeakPolarHBondContact OE1-CD1 3.33Å |
| 374 | G | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y349 V420 I421 I422 | Y349-G374 CarbonylContact O-C 3.52Å; Y349-G374 WeakPolarHBondContact O-CA 3.47Å; G374-V420 PolarHBondContact N-O 3.12Å; G374-I421 CarbonylContact O-C 3.56Å; G374-I421 WeakPolarHBondContact O-CA 3.41Å; G374-I422 PolarHBondContact O-N 3.46Å |
| 375 | L | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 134.6 | 179.6 | 163.2 | 70.3 | 0 | 0 | 0 | 108 | L335 K348 Y349 I422 V424 | L335-L375 HydrophobicContact CD1-CD1 4.13Å; L335-L375 HydrophobicContact CD1-CD2 4.02Å; L335-L375 HydrophobicContact CD2-CD1 4.15Å; L335-L375 HydrophobicContact CD2-CD2 3.73Å; L335-L375 HydrophobicContact CD2-CG 4.44Å; L335-L375 HydrophobicContact CG-CD1 4.41Å; L335-L375 HydrophobicContact CG-CD2 3.61Å; K348-L375 CarbonylContact C-O 3.51Å; K348-L375 VanDerWaalsContact CA-O 3.31Å; K348-L375 WeakPolarHBondContact CA-O 3.23Å; Y349-L375 HydrophobicContact CD2-CD2 3.95Å; Y349-L375 PolarHBondContact N-O 2.96Å; Y349-L375 PolarHBondContact O-N 3.44Å; L375-I422 CarbonylContact C-O 3.52Å; L375-I422 WeakPolarHBondContact CA-O 3.48Å; L375-I422 HydrophobicContact CB-CB 4.49Å; L375-I422 HydrophobicContact CD1-CB 3.74Å; L375-I422 HydrophobicContact CD1-CG2 3.85Å; L375-V424 HydrophobicContact CD1-CB 4.45Å; L375-V424 HydrophobicContact CD1-CG2 3.67Å |
| 376 | V | 94.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.5 | 170.1 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | F239 K348 L381 I422 L423 V424 | F239-V376 HydrophobicContact CE1-CG2 3.78Å; F239-V376 HydrophobicContact CZ-CG2 3.55Å; K348-V376 HydrophobicContact CG-CG1 4.06Å; K348-V376 HydrophobicContact CG-CG2 4.12Å; V376-L381 HydrophobicContact CG1-CD1 4.19Å; V376-L381 VanDerWaalsContact O-CD1 3.31Å; V376-L381 WeakPolarHBondContact O-CD1 3.33Å; V376-I422 PolarHBondContact N-O 3.31Å; V376-L423 HydrophobicContact CB-CD2 3.63Å; V376-L423 HydrophobicContact CG1-CD2 4.42Å; V376-L423 HydrophobicContact CG2-CD2 4.11Å; V376-L423 WeakPolarHBondContact O-CA 3.41Å; V376-V424 PolarHBondContact O-N 2.99Å |
| 377 | A | 92.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L335 L338 F344 P346 A347 V424 | L335-A377 HydrophobicContact CD2-CB 4.19Å; L338-A377 HydrophobicContact CD2-CB 3.71Å; F344-A377 HydrophobicContact CE2-CB 4.47Å; F344-A377 HydrophobicContact CZ-CB 4.17Å; P346-A377 CarbonylContact C-O 3.52Å; P346-A377 WeakPolarHBondContact CA-O 3.34Å; A347-A377 PolarHBondContact N-O 3.21Å; A347-A377 PolarHBondContact O-N 3.43Å; A377-V424 WeakPolarHBondContact CA-O 3.36Å; A377-V424 HydrophobicContact CB-CB 4.29Å |
| 378 | D | 93.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 40 Ų | 40 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 179.1 | -177.3 | -153.7 | -13.6 | 0 | 0 | 0 | 111.1 | P346 L381 V424 S425 K426 | P346-D378 HydrophobicContact CB-CB 4.2Å; P346-D378 WeakPolarHBondContact CB-OD1 3.45Å; P346-D378 WeakPolarHBondContact CG-OD1 3.39Å; D378-L381 HydrophobicContact CB-CD1 3.88Å; D378-L381 HydrophobicContact CB-CD2 3.9Å; D378-L381 HydrophobicContact CB-CG 3.84Å; D378-V424 PolarHBondContact N-O 3Å; D378-V424 VanDerWaalsContact N-O 3.09Å; D378-S425 VanDerWaalsContact O-CA 3.24Å; D378-S425 WeakPolarHBondContact O-CA 2.63Å; D378-K426 PolarHBondContact O-N 3.36Å |
| 379 | F | 90.7 | Very high | 91.8 | Very high | 79 Ų | 79 | 37.3 Ų | 37.3 | 35% | 0.346 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -84.7 | 144.4 | 173.9 | -56.4 | -83.6 | 0 | 0 | 0 | 111.2 | F344 P346 L381 K426 Y427 | F344-F379 HydrophobicContact CD1-CD2 4.4Å; F344-F379 HydrophobicContact CD1-CE1 4.04Å; F344-F379 AromaticContact CD1-CE2 3.57Å; F344-F379 HydrophobicContact CD1-CE2 3.57Å; F344-F379 AromaticContact CD1-CZ 3.39Å; F344-F379 HydrophobicContact CD1-CZ 3.39Å; F344-F379 HydrophobicContact CE1-CD2 4.23Å; F344-F379 HydrophobicContact CE1-CE1 4.45Å; F344-F379 AromaticContact CE1-CE2 3.82Å; F344-F379 HydrophobicContact CE1-CE2 3.82Å; F344-F379 AromaticContact CE1-CZ 3.98Å; F344-F379 HydrophobicContact CE1-CZ 3.98Å; F344-F379 HydrophobicContact CG-CZ 4.37Å; P346-F379 HydrophobicContact CG-CD2 4.25Å; P346-F379 HydrophobicContact CG-CE2 4.18Å; F379-L381 VanDerWaalsContact C-N 3.31Å; F379-L381 PolarHBondContact O-N 3.47Å; F379-K426 HydrophobicContact CD1-CB 3.76Å; F379-K426 HydrophobicContact CD1-CD 4.31Å; F379-K426 HydrophobicContact CD1-CG 4.24Å; F379-K426 HydrophobicContact CE1-CB 3.93Å; F379-K426 HydrophobicContact CE1-CD 3.57Å; F379-K426 HydrophobicContact CE1-CG 3.95Å; F379-K426 HydrophobicContact CZ-CD 4.15Å; F379-Y427 HydrophobicContact CB-CD2 4.29Å; F379-Y427 AromaticContact CD1-CD2 3.5Å; F379-Y427 HydrophobicContact CD1-CD2 3.5Å; F379-Y427 VanDerWaalsContact CD1-CD2 3.5Å; F379-Y427 AromaticContact CD1-CE2 3.3Å; F379-Y427 HydrophobicContact CD1-CE2 3.3Å; F379-Y427 HydrophobicContact CE1-CD2 4.27Å; F379-Y427 AromaticContact CE1-CE2 3.68Å; F379-Y427 HydrophobicContact CE1-CE2 3.68Å; F379-Y427 HydrophobicContact CG-CD2 4.35Å; F379-Y427 HydrophobicContact CG-CE2 4.29Å |
| 380 | G | 91.1 | Very high | 91.9 | Very high | 50 Ų | 50 | 34.8 Ų | 34.8 | 52% | 0.515 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 60.7 | 30 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S425 | G380-S425 PolarHBondContact N-OG 2.87Š|
| 381 | L | 89.9 | Confident | 92 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | trans | -70.9 | 135.6 | 179.7 | -68.4 | 178.9 | 0 | 0 | 0 | 111.3 | V376 D378 F379 H385 L423 V424 S425 | V376-L381 HydrophobicContact CG1-CD1 4.19Å; V376-L381 VanDerWaalsContact O-CD1 3.31Å; V376-L381 WeakPolarHBondContact O-CD1 3.33Å; D378-L381 HydrophobicContact CB-CD1 3.88Å; D378-L381 HydrophobicContact CB-CD2 3.9Å; D378-L381 HydrophobicContact CB-CG 3.84Å; F379-L381 VanDerWaalsContact C-N 3.31Å; F379-L381 PolarHBondContact O-N 3.47Å; L381-H385 HydrophobicContact CD2-CB 4.31Å; L381-L423 HydrophobicContact CB-CB 4.31Å; L381-L423 HydrophobicContact CB-CD1 4.14Å; L381-L423 HydrophobicContact CD1-CB 4.03Å; L381-L423 HydrophobicContact CD1-CD2 4.19Å; L381-L423 HydrophobicContact CD1-CG 4.48Å; L381-V424 WeakPolarHBondContact CD1-O 3.5Å; L381-S425 PolarHBondContact N-OG 3.42Å; L381-S425 VanDerWaalsContact N-OG 3.07Å | ||
| 382 | S | 88.7 | Confident | 92.1 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | trans | -123.6 | 166.8 | -179.1 | 74.3 | 0 | 0 | 0 | 0 | 111.7 | G384 H385 L386 L423 | S382-G384 PolarHBondContact O-N 3.13Å; S382-G384 VanDerWaalsContact O-N 3.15Å; S382-G384 PolarHBondContact OG-N 3.4Å; S382-H385 PolarHBondContact N-ND1 2.96Å; S382-H385 WeakPolarHBondContact O-CB 3.32Å; S382-H385 PolarHBondContact O-N 3.16Å; S382-H385 PolarHBondContact OG-N 2.99Å; S382-L386 PolarHBondContact O-N 3.24Å; S382-L423 VanDerWaalsContact O-CD1 3.31Å; S382-L423 WeakPolarHBondContact O-CD1 3.01Å | ||
| 383 | L | 89.7 | Confident | 92.2 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 38% | 0.382 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.7 | -28.6 | 171.7 | 179.1 | 62.3 | 0 | 0 | 0 | 112.3 | L386 K387 I433 | L383-L386 HydrophobicContact CD1-CD2 4.17Å; L383-L386 PolarHBondContact O-N 3.12Å; L383-K387 WeakPolarHBondContact O-CG 3.46Å; L383-K387 PolarHBondContact O-N 3.1Å; L383-K387 VanDerWaalsContact O-N 3.07Å; L383-I433 HydrophobicContact CB-CD1 4.09Å; L383-I433 HydrophobicContact CB-CG2 4.28Å; L383-I433 HydrophobicContact CD1-CG2 3.49Å; L383-I433 VanDerWaalsContact CD1-CG2 3.49Å; L383-I433 HydrophobicContact CG-CG2 4.44Å |
| 384 | G | 91.9 | Very high | 92.2 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S382 L386 K387 S388 | S382-G384 PolarHBondContact O-N 3.13Å; S382-G384 VanDerWaalsContact O-N 3.15Å; S382-G384 PolarHBondContact OG-N 3.4Å; G384-L386 VanDerWaalsContact C-N 3.3Å; G384-L386 PolarHBondContact O-N 3.14Å; G384-K387 PolarHBondContact O-N 3.36Å; G384-S388 PolarHBondContact O-N 3.12Å |
| 385 | H | 92.5 | Very high | 92.3 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 175.1 | -59.3 | 151.3 | 0 | 0 | 0 | 111.3 | L381 S382 K387 S388 V389 L423 | L381-H385 HydrophobicContact CD2-CB 4.31Å; S382-H385 PolarHBondContact N-ND1 2.96Å; S382-H385 WeakPolarHBondContact O-CB 3.32Å; S382-H385 PolarHBondContact O-N 3.16Å; S382-H385 PolarHBondContact OG-N 2.99Å; H385-K387 PolarHBondContact O-N 3.05Å; H385-S388 WeakPolarHBondContact O-CB 3.45Å; H385-S388 PolarHBondContact O-N 3.29Å; H385-S388 VanDerWaalsContact O-N 3.16Å; H385-V389 WeakPolarHBondContact O-CG2 3.42Å; H385-V389 PolarHBondContact O-N 3.33Å; H385-L423 HydrophobicContact CB-CD1 4.05Å |
| 386 | L | 90.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 179.4 | 178.4 | 55.3 | 0 | 0 | 0 | 110.7 | S382 L383 G384 S388 V389 I390 I421 L423 I433 A435 | S382-L386 PolarHBondContact O-N 3.24Å; L383-L386 HydrophobicContact CD1-CD2 4.17Å; L383-L386 PolarHBondContact O-N 3.12Å; G384-L386 VanDerWaalsContact C-N 3.3Å; G384-L386 PolarHBondContact O-N 3.14Å; L386-S388 PolarHBondContact O-N 2.9Å; L386-V389 PolarHBondContact O-N 3.36Å; L386-I390 HydrophobicContact CD1-CD1 3.8Å; L386-I390 HydrophobicContact CD1-CG1 4.22Å; L386-I390 HydrophobicContact CG-CD1 3.96Å; L386-I390 WeakPolarHBondContact O-CB 2.85Å; L386-I390 VanDerWaalsContact O-CG1 3.31Å; L386-I390 WeakPolarHBondContact O-CG1 3.33Å; L386-I390 PolarHBondContact O-N 3.14Å; L386-I421 HydrophobicContact CD1-CB 3.73Å; L386-I421 HydrophobicContact CD1-CG2 3.51Å; L386-L423 HydrophobicContact CB-CD1 3.5Å; L386-L423 HydrophobicContact CB-CG 3.93Å; L386-L423 HydrophobicContact CD1-CD2 4.48Å; L386-L423 HydrophobicContact CD1-CG 4.09Å; L386-L423 HydrophobicContact CG-CG 4.46Å; L386-I433 HydrophobicContact CD2-CB 4.34Å; L386-I433 HydrophobicContact CD2-CG2 3.59Å; L386-A435 HydrophobicContact CD1-CB 4.49Å; L386-A435 HydrophobicContact CD2-CB 3.46Å; L386-A435 VanDerWaalsContact CD2-CB 3.46Å; L386-A435 HydrophobicContact CG-CB 3.9Å |
| 387 | K | 91.9 | Very high | 92.2 | Very high | 72 Ų | 72 | 51.6 Ų | 51.6 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -38.3 | 176.2 | -70.3 | 178.4 | 177.8 | 178.2 | 0 | 111.7 | L383 G384 H385 R391 F404 | L383-K387 WeakPolarHBondContact O-CG 3.46Å; L383-K387 PolarHBondContact O-N 3.1Å; L383-K387 VanDerWaalsContact O-N 3.07Å; G384-K387 PolarHBondContact O-N 3.36Å; H385-K387 PolarHBondContact O-N 3.05Å; K387-R391 WeakPolarHBondContact O-CB 3.39Å; K387-R391 WeakPolarHBondContact O-CG 3.36Å; K387-R391 PolarHBondContact O-N 3.45Å; K387-F404 HydrophobicContact CB-CD2 4.5Å; K387-F404 HydrophobicContact CB-CE1 4.1Å; K387-F404 HydrophobicContact CB-CE2 3.93Å; K387-F404 HydrophobicContact CB-CZ 3.71Å; K387-F404 HydrophobicContact CD-CD2 4.07Å; K387-F404 HydrophobicContact CD-CE2 4.3Å; K387-F404 HydrophobicContact CD-CG 4.25Å; K387-F404 HydrophobicContact CG-CD1 3.9Å; K387-F404 HydrophobicContact CG-CD2 3.99Å; K387-F404 HydrophobicContact CG-CE1 3.8Å; K387-F404 HydrophobicContact CG-CE2 3.91Å; K387-F404 HydrophobicContact CG-CG 3.99Å; K387-F404 HydrophobicContact CG-CZ 3.82Å |
| 388 | S | 93.4 | Very high | 92.3 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.5 | -49.7 | 177.4 | -166.6 | 0 | 0 | 0 | 0 | 111.8 | G384 H385 L386 I390 R391 T392 | G384-S388 PolarHBondContact O-N 3.12Å; H385-S388 WeakPolarHBondContact O-CB 3.45Å; H385-S388 PolarHBondContact O-N 3.29Å; H385-S388 VanDerWaalsContact O-N 3.16Å; L386-S388 PolarHBondContact O-N 2.9Å; S388-I390 VanDerWaalsContact C-N 3.31Å; S388-I390 PolarHBondContact O-N 3Å; S388-R391 PolarHBondContact O-N 3.26Å; S388-T392 PolarHBondContact O-N 3.36Å; S388-T392 PolarHBondContact O-OG1 3.4Å; S388-T392 VanDerWaalsContact O-OG1 3.05Å |
| 389 | V | 93.4 | Very high | 92.2 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 178.3 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | M237 F239 H385 L386 T392 F393 I421 | M237-V389 HydrophobicContact CE-CG1 4.04Å; F239-V389 HydrophobicContact CE2-CG1 4.42Å; F239-V389 HydrophobicContact CZ-CG1 3.89Å; H385-V389 WeakPolarHBondContact O-CG2 3.42Å; H385-V389 PolarHBondContact O-N 3.33Å; L386-V389 PolarHBondContact O-N 3.36Å; V389-T392 PolarHBondContact O-N 3.48Å; V389-F393 WeakPolarHBondContact O-CB 3.35Å; V389-F393 PolarHBondContact O-N 2.86Å; V389-I421 HydrophobicContact CG1-CD1 3.76Å; V389-I421 HydrophobicContact CG1-CG2 4.3Å |
| 390 | I | 92.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.6 | -70.9 | 173.8 | 0 | 0 | 0 | 111.2 | L386 S388 T392 F393 F394 L402 F404 I421 A435 V437 | L386-I390 HydrophobicContact CD1-CD1 3.8Å; L386-I390 HydrophobicContact CD1-CG1 4.22Å; L386-I390 HydrophobicContact CG-CD1 3.96Å; L386-I390 WeakPolarHBondContact O-CB 2.85Å; L386-I390 VanDerWaalsContact O-CG1 3.31Å; L386-I390 WeakPolarHBondContact O-CG1 3.33Å; L386-I390 PolarHBondContact O-N 3.14Å; S388-I390 VanDerWaalsContact C-N 3.31Å; S388-I390 PolarHBondContact O-N 3Å; I390-T392 PolarHBondContact O-N 2.76Å; I390-F393 PolarHBondContact O-N 3.42Å; I390-F394 HydrophobicContact CG2-CD2 3.67Å; I390-F394 HydrophobicContact CG2-CE2 3.89Å; I390-F394 WeakPolarHBondContact O-CD2 3.49Å; I390-F394 PolarHBondContact O-N 2.8Å; I390-L402 HydrophobicContact CG2-CD1 4.32Å; I390-F404 HydrophobicContact CB-CE1 4.02Å; I390-F404 HydrophobicContact CB-CZ 4.24Å; I390-F404 HydrophobicContact CD1-CE1 3.97Å; I390-F404 HydrophobicContact CG2-CE1 3.71Å; I390-F404 HydrophobicContact CG2-CZ 3.97Å; I390-I421 HydrophobicContact CG1-CB 4.33Å; I390-I421 HydrophobicContact CG1-CD1 3.72Å; I390-I421 HydrophobicContact CG1-CG1 4.2Å; I390-A435 HydrophobicContact CD1-CB 3.61Å; I390-V437 HydrophobicContact CD1-CG2 4.41Å; I390-V437 HydrophobicContact CG2-CG2 3.26Å |
| 391 | R | 93.8 | Very high | 92.1 | Very high | 140 Ų | 140 | 61.3 Ų | 61.3 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 177 | -82.6 | 173.5 | 173.8 | 167.5 | -1.6 | 112.3 | K387 S388 S395 L402 F404 | K387-R391 WeakPolarHBondContact O-CB 3.39Å; K387-R391 WeakPolarHBondContact O-CG 3.36Å; K387-R391 PolarHBondContact O-N 3.45Å; S388-R391 PolarHBondContact O-N 3.26Å; R391-S395 WeakPolarHBondContact O-CB 3.46Å; R391-S395 PolarHBondContact O-N 2.97Å; R391-L402 HydrophobicContact CB-CD1 4.31Å; R391-L402 HydrophobicContact CG-CD1 3.85Å; R391-F404 HydrophobicContact CG-CE2 4.27Å; R391-F404 HydrophobicContact CG-CZ 4.14Å |
| 392 | T | 94.3 | Very high | 92.1 | Very high | 66 Ų | 66 | 61 Ų | 61 | 41% | 0.405 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 178 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | M237 S388 V389 I390 K396 | M237-T392 HydrophobicContact CE-CG2 4.09Å; M237-T392 HydrophobicContact CG-CG2 4.49Å; M237-T392 HydrophobicContact SD-CG2 4.4Å; S388-T392 PolarHBondContact O-N 3.36Å; S388-T392 PolarHBondContact O-OG1 3.4Å; S388-T392 VanDerWaalsContact O-OG1 3.05Å; V389-T392 PolarHBondContact O-N 3.48Å; I390-T392 PolarHBondContact O-N 2.76Å; T392-K396 PolarHBondContact O-N 3.48Å |
| 393 | F | 93.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.4 | -54.3 | 177.5 | 176.4 | -95.1 | 0 | 0 | 0 | 111.9 | F230 I233 L234 M237 V389 I390 S395 K396 L397 L419 | F230-F393 AromaticContact CD1-CZ 3.71Å; F230-F393 HydrophobicContact CD1-CZ 3.71Å; F230-F393 HydrophobicContact CE1-CE1 4.3Å; F230-F393 AromaticContact CE1-CZ 3.81Å; F230-F393 HydrophobicContact CE1-CZ 3.81Å; F230-F393 HydrophobicContact CG-CZ 4.49Å; I233-F393 HydrophobicContact CG2-CD2 3.65Å; I233-F393 HydrophobicContact CG2-CE2 3.75Å; L234-F393 HydrophobicContact CD1-CE2 4.3Å; L234-F393 HydrophobicContact CD2-CD2 3.88Å; L234-F393 HydrophobicContact CD2-CE2 3.86Å; L234-F393 HydrophobicContact CG-CD2 4.28Å; L234-F393 HydrophobicContact CG-CE2 3.86Å; M237-F393 HydrophobicContact CE-CB 3.98Å; M237-F393 HydrophobicContact SD-CB 3.86Å; M237-F393 HydrophobicContact SD-CD2 4.03Å; M237-F393 HydrophobicContact SD-CG 4.46Å; V389-F393 WeakPolarHBondContact O-CB 3.35Å; V389-F393 PolarHBondContact O-N 2.86Å; I390-F393 PolarHBondContact O-N 3.42Å; F393-S395 VanDerWaalsContact C-N 3.33Å; F393-S395 PolarHBondContact O-N 3.05Å; F393-K396 WeakPolarHBondContact O-CB 3.35Å; F393-K396 PolarHBondContact O-N 3.32Å; F393-K396 VanDerWaalsContact O-N 3.16Å; F393-L397 HydrophobicContact CD1-CD1 4.14Å; F393-L397 HydrophobicContact CE1-CD1 3.48Å; F393-L397 VanDerWaalsContact CE1-CD1 3.48Å; F393-L397 HydrophobicContact CZ-CD1 3.89Å; F393-L397 PolarHBondContact O-N 2.91Å; F393-L419 HydrophobicContact CD1-CD2 3.38Å; F393-L419 HydrophobicContact CE1-CD1 4.38Å; F393-L419 HydrophobicContact CE1-CD2 3.5Å; F393-L419 VanDerWaalsContact CE1-CD2 3.5Å; F393-L419 HydrophobicContact CE1-CG 4.44Å; F393-L419 HydrophobicContact CG-CD2 4.02Å; F393-L419 HydrophobicContact CZ-CD1 4.34Å; F393-L419 HydrophobicContact CZ-CD2 4.23Å |
| 394 | F | 93.3 | Very high | 92 | Very high | 20 Ų | 20 | 68.4 Ų | 68.4 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.4 | -31.2 | -179 | -82.1 | -73.3 | 0 | 0 | 0 | 112.8 | I390 K396 L397 G398 L399 L402 L419 V437 | I390-F394 HydrophobicContact CG2-CD2 3.67Å; I390-F394 HydrophobicContact CG2-CE2 3.89Å; I390-F394 WeakPolarHBondContact O-CD2 3.49Å; I390-F394 PolarHBondContact O-N 2.8Å; F394-K396 VanDerWaalsContact C-N 3.28Å; F394-K396 PolarHBondContact O-N 3.46Å; F394-L397 HydrophobicContact CD1-CD1 4.14Å; F394-L397 HydrophobicContact CE1-CD1 4.43Å; F394-L397 CarbonylContact O-C 3.28Å; F394-L397 WeakPolarHBondContact O-CA 3.48Å; F394-L397 WeakPolarHBondContact O-CB 3.44Å; F394-L397 PolarHBondContact O-N 3.26Å; F394-G398 PolarHBondContact O-N 3.44Å; F394-L399 CarbonylContact C-O 3.52Å; F394-L399 VanDerWaalsContact C-O 3.28Å; F394-L399 HydrophobicContact CB-CB 4.16Å; F394-L399 HydrophobicContact CD1-CB 4.26Å; F394-L399 HydrophobicContact CD1-CD1 3.7Å; F394-L399 HydrophobicContact CE1-CD1 4.2Å; F394-L399 WeakPolarHBondContact O-CA 3.43Å; F394-L399 WeakPolarHBondContact O-CB 3.44Å; F394-L399 PolarHBondContact O-N 3Å; F394-L402 HydrophobicContact CB-CD1 3.55Å; F394-L402 HydrophobicContact CB-CD2 3.94Å; F394-L402 HydrophobicContact CB-CG 4.22Å; F394-L402 HydrophobicContact CD1-CD2 4.4Å; F394-L402 HydrophobicContact CD2-CD1 3.99Å; F394-L402 HydrophobicContact CD2-CD2 4.17Å; F394-L402 HydrophobicContact CG-CD1 4.05Å; F394-L402 HydrophobicContact CG-CD2 3.91Å; F394-L419 HydrophobicContact CE2-CD2 3.92Å; F394-L419 HydrophobicContact CZ-CD2 4.31Å; F394-V437 HydrophobicContact CD2-CG1 4.49Å; F394-V437 HydrophobicContact CD2-CG2 4.21Å; F394-V437 HydrophobicContact CE2-CB 3.73Å; F394-V437 HydrophobicContact CE2-CG1 3.93Å; F394-V437 HydrophobicContact CE2-CG2 3.59Å; F394-V437 HydrophobicContact CZ-CB 3.95Å; F394-V437 HydrophobicContact CZ-CG1 4Å; F394-V437 HydrophobicContact CZ-CG2 4.32Å |
| 395 | S | 94.2 | Very high | 91.7 | Very high | 71 Ų | 71 | 73.9 Ų | 73.9 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 172.6 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | R391 F393 L397 G398 L399 | R391-S395 WeakPolarHBondContact O-CB 3.46Å; R391-S395 PolarHBondContact O-N 2.97Å; F393-S395 VanDerWaalsContact C-N 3.33Å; F393-S395 PolarHBondContact O-N 3.05Å; S395-L397 VanDerWaalsContact C-N 3.25Å; S395-L397 PolarHBondContact O-N 2.95Å; S395-G398 PolarHBondContact O-N 2.94Å; S395-G398 VanDerWaalsContact O-N 3.1Å; S395-L399 PolarHBondContact N-O 2.62Å |
| 396 | K | 93.7 | Very high | 91.1 | Very high | 95 Ų | 95 | 78.5 Ų | 78.5 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.1 | -22.8 | 173.9 | -77.3 | 179.1 | 169.4 | -80.8 | 0 | 112.9 | I233 D236 M237 T392 F393 F394 G398 | I233-K396 HydrophobicContact CD1-CB 4.24Å; I233-K396 HydrophobicContact CG1-CB 4.19Å; I233-K396 HydrophobicContact CG2-CB 3.84Å; I233-K396 HydrophobicContact CG2-CD 3.84Å; I233-K396 HydrophobicContact CG2-CG 4.5Å; D236-K396 IonicContact OD2-NZ 3.85Å; M237-K396 HydrophobicContact CG-CD 3.97Å; M237-K396 HydrophobicContact SD-CD 4.24Å; T392-K396 PolarHBondContact O-N 3.48Å; F393-K396 WeakPolarHBondContact O-CB 3.35Å; F393-K396 PolarHBondContact O-N 3.32Å; F393-K396 VanDerWaalsContact O-N 3.16Å; F394-K396 VanDerWaalsContact C-N 3.28Å; F394-K396 PolarHBondContact O-N 3.46Å; K396-G398 VanDerWaalsContact C-N 3.3Å |
| 397 | L | 91.4 | Very high | 90.2 | Very high | 45 Ų | 45 | 84.9 Ų | 84.9 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 0.6 | 170.3 | -69.1 | 170 | 0 | 0 | 0 | 113.3 | F230 I233 F393 F394 S395 | F230-L397 HydrophobicContact CD2-CD2 4.23Å; F230-L397 HydrophobicContact CE1-CD1 4.37Å; F230-L397 HydrophobicContact CE2-CD1 4.37Å; F230-L397 HydrophobicContact CE2-CD2 3.79Å; F230-L397 HydrophobicContact CZ-CD1 3.97Å; F230-L397 HydrophobicContact CZ-CD2 4.24Å; I233-L397 HydrophobicContact CD1-CD2 3.38Å; I233-L397 HydrophobicContact CD1-CG 3.81Å; F393-L397 HydrophobicContact CD1-CD1 4.14Å; F393-L397 HydrophobicContact CE1-CD1 3.48Å; F393-L397 VanDerWaalsContact CE1-CD1 3.48Å; F393-L397 HydrophobicContact CZ-CD1 3.89Å; F393-L397 PolarHBondContact O-N 2.91Å; F394-L397 HydrophobicContact CD1-CD1 4.14Å; F394-L397 HydrophobicContact CE1-CD1 4.43Å; F394-L397 CarbonylContact O-C 3.28Å; F394-L397 WeakPolarHBondContact O-CA 3.48Å; F394-L397 WeakPolarHBondContact O-CB 3.44Å; F394-L397 PolarHBondContact O-N 3.26Å; S395-L397 VanDerWaalsContact C-N 3.25Å; S395-L397 PolarHBondContact O-N 2.95Å |
| 398 | G | 93.5 | Very high | 89 | Confident | 59 Ų | 59 | 88.7 Ų | 88.7 | 61% | 0.608 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 10.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F394 S395 K396 | F394-G398 PolarHBondContact O-N 3.44Å; S395-G398 PolarHBondContact O-N 2.94Å; S395-G398 VanDerWaalsContact O-N 3.1Å; K396-G398 VanDerWaalsContact C-N 3.3Å |
| 399 | L | 91.3 | Very high | 87.4 | Confident | 56 Ų | 56 | 87.6 Ų | 87.6 | 29% | 0.293 | 43% | 0.428 | S | S | . | . | trans | -102.1 | 103.9 | -178.3 | -61.1 | 175.7 | 0 | 0 | 0 | 110.8 | F394 S395 H439 | F394-L399 CarbonylContact C-O 3.52Å; F394-L399 VanDerWaalsContact C-O 3.28Å; F394-L399 HydrophobicContact CB-CB 4.16Å; F394-L399 HydrophobicContact CD1-CB 4.26Å; F394-L399 HydrophobicContact CD1-CD1 3.7Å; F394-L399 HydrophobicContact CE1-CD1 4.2Å; F394-L399 WeakPolarHBondContact O-CA 3.43Å; F394-L399 WeakPolarHBondContact O-CB 3.44Å; F394-L399 PolarHBondContact O-N 3Å; S395-L399 PolarHBondContact N-O 2.62Å; L399-H439 WeakPolarHBondContact CD2-NE2 3.24Å | ||
| 400 | T | 89.7 | Confident | 85.4 | Confident | 107 Ų | 107 | 90.5 Ų | 90.5 | 66% | 0.656 | 44% | 0.44 | S | S | * | . | trans | -97.3 | -26.7 | -174.9 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | L402 | T400-L402 PolarHBondContact O-N 2.91Š| ||
| 401 | Q | 91.1 | Very high | 83 | Confident | 168 Ų | 168 | 91.5 Ų | 91.5 | 79% | 0.785 | 45% | 0.445 | S | S | * | . | trans | -91.1 | 79 | -173.6 | -64.5 | -63.8 | -24.4 | 0 | 0 | 111.9 | ||||
| 402 | L | 88.4 | Confident | 80 | Confident | 22 Ų | 22 | 89.1 Ų | 89.1 | 12% | 0.115 | 44% | 0.442 | C | S | . | . | trans | -103 | 133 | -179.2 | -60 | 177.9 | 0 | 0 | 0 | 113.2 | I390 R391 F394 T400 V437 | I390-L402 HydrophobicContact CG2-CD1 4.32Å; R391-L402 HydrophobicContact CB-CD1 4.31Å; R391-L402 HydrophobicContact CG-CD1 3.85Å; F394-L402 HydrophobicContact CB-CD1 3.55Å; F394-L402 HydrophobicContact CB-CD2 3.94Å; F394-L402 HydrophobicContact CB-CG 4.22Å; F394-L402 HydrophobicContact CD1-CD2 4.4Å; F394-L402 HydrophobicContact CD2-CD1 3.99Å; F394-L402 HydrophobicContact CD2-CD2 4.17Å; F394-L402 HydrophobicContact CG-CD1 4.05Å; F394-L402 HydrophobicContact CG-CD2 3.91Å; T400-L402 PolarHBondContact O-N 2.91Å; L402-V437 HydrophobicContact CD2-CG1 3.99Å | ||
| 403 | R | 89.4 | Confident | 77 | Confident | 227 Ų | 227 | 87.4 Ų | 87.4 | 86% | 0.857 | 43% | 0.43 | S | S | * | . | trans | -118.4 | 142 | 170 | -63.8 | -176.9 | -177.7 | -178 | 1.9 | 110 | ||||
| 404 | F | 87.9 | Confident | 73.8 | Confident | 54 Ų | 54 | 97.7 Ų | 97.7 | 24% | 0.237 | 47% | 0.469 | C | S | . | . | trans | -109.8 | 130.9 | 179.8 | -63.7 | -86.3 | 0 | 0 | 0 | 110.1 | K387 I390 R391 V437 | K387-F404 HydrophobicContact CB-CD2 4.5Å; K387-F404 HydrophobicContact CB-CE1 4.1Å; K387-F404 HydrophobicContact CB-CE2 3.93Å; K387-F404 HydrophobicContact CB-CZ 3.71Å; K387-F404 HydrophobicContact CD-CD2 4.07Å; K387-F404 HydrophobicContact CD-CE2 4.3Å; K387-F404 HydrophobicContact CD-CG 4.25Å; K387-F404 HydrophobicContact CG-CD1 3.9Å; K387-F404 HydrophobicContact CG-CD2 3.99Å; K387-F404 HydrophobicContact CG-CE1 3.8Å; K387-F404 HydrophobicContact CG-CE2 3.91Å; K387-F404 HydrophobicContact CG-CG 3.99Å; K387-F404 HydrophobicContact CG-CZ 3.82Å; I390-F404 HydrophobicContact CB-CE1 4.02Å; I390-F404 HydrophobicContact CB-CZ 4.24Å; I390-F404 HydrophobicContact CD1-CE1 3.97Å; I390-F404 HydrophobicContact CG2-CE1 3.71Å; I390-F404 HydrophobicContact CG2-CZ 3.97Å; R391-F404 HydrophobicContact CG-CE2 4.27Å; R391-F404 HydrophobicContact CG-CZ 4.14Å; F404-V437 HydrophobicContact CE1-CG2 4.46Å | ||
| 405 | K | 85.1 | Confident | 70.6 | Confident | 161 Ų | 161 | 99.4 Ų | 99.4 | 70% | 0.7 | 48% | 0.481 | S | S | * | . | trans | -117.1 | 137.2 | 176.5 | -175.6 | 175.3 | 179.8 | 177.1 | 0 | 109.9 | ||||
| 406 | Q | 79.6 | Confident | 67.3 | Low | 188 Ų | 188 | 104 Ų | 104 | 88% | 0.879 | 49% | 0.488 | S | S | * | . | trans | -71.7 | 131 | 174.2 | -66.5 | 172.4 | -11.6 | 0 | 0 | 109.8 | ||||
| 407 | R | 72.7 | Confident | 64.6 | Low | 134 Ų | 134 | 101 Ų | 101 | 51% | 0.506 | 48% | 0.475 | S | S | . | . | trans | -139.5 | 146.1 | 175.3 | -71.8 | -172.2 | 176.2 | -110.6 | 10.9 | 109.3 | H438 | R407-H438 PolarHBondContact NH2-CD2 2.86Å; R407-H438 PolarHBondContact NH2-NE2 2.92Å; R407-H438 VanDerWaalsContact NH2-NE2 3.13Å | ||
| 408 | I | 66.4 | Low | 62.1 | Low | 152 Ų | 152 | 105.7 Ų | 105.7 | 78% | 0.779 | 49% | 0.493 | S | S | * | . | trans | -82.1 | 135.5 | 173.5 | -60.9 | 171.1 | 0 | 0 | 0 | 108.2 | ||||
| 409 | I | 58.9 | Low | 59.7 | Low | 44 Ų | 44 | 103.5 Ų | 103.5 | 23% | 0.226 | 47% | 0.468 | C | S | . | . | trans | -127.3 | 106.3 | 178.6 | -68.5 | 157.9 | 0 | 0 | 0 | 108.3 | Y434 F436 | I409-Y434 HydrophobicContact CB-CD2 4.48Å; I409-Y434 HydrophobicContact CD1-CG 3.96Å; I409-Y434 HydrophobicContact CG2-CD2 4.08Å; I409-Y434 HydrophobicContact CG2-CE2 4.34Å; I409-Y434 HydrophobicContact CG2-CG 4.23Å; I409-F436 HydrophobicContact CD1-CD2 3.73Å; I409-F436 HydrophobicContact CD1-CE2 3.54Å; I409-F436 HydrophobicContact CG1-CD2 4.42Å; I409-F436 HydrophobicContact CG1-CE2 4.01Å | ||
| 410 | H | 52.1 | Low | 58 | Low | 90 Ų | 90 | 101.1 Ų | 101.1 | 42% | 0.417 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -119.5 | 54.9 | 153 | -72.5 | -72.8 | 0 | 0 | 0 | 106.2 | H264 Y309 L412 | H264-H410 PolarHBondContact CE1-O 3.36Å; H264-H410 PolarHBondContact NE2-O 3.33Å; Y309-H410 PolarHBondContact OH-ND1 3.15Å; H410-L412 PolarHBondContact O-N 2.71Å |
| 411 | I | 43 | Very low | 56.4 | Low | 21 Ų | 21 | 96.1 Ų | 96.1 | 11% | 0.108 | 43% | 0.425 | C | S | . | . | S | Bend | trans | 36.3 | 66.7 | -177.4 | -55.7 | 170.9 | 0 | 0 | 0 | 111.8 | L258 H264 H326 | L258-I411 HydrophobicContact CB-CD1 3.82Å; L258-I411 HydrophobicContact CD1-CD1 3.48Å; L258-I411 VanDerWaalsContact CD1-CD1 3.48Å; L258-I411 HydrophobicContact CG-CD1 4.27Å; H264-I411 PolarHBondContact CE1-O 3.24Å; H264-I411 VanDerWaalsContact CE1-O 3.25Å; H326-I411 WeakPolarHBondContact CD2-CG2 3.35Å; H326-I411 WeakPolarHBondContact NE2-CG2 3.09Å |
| 412 | L | 30.4 | Very low | 54.9 | Low | 91 Ų | 91 | 88.2 Ų | 88.2 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | trans | -99.4 | 139.7 | 178.6 | -89.8 | 159.7 | 0 | 0 | 0 | 111.7 | H264 P265 H410 R414 | H264-L412 WeakPolarHBondContact CE1-CD2 3.49Å; H264-L412 VanDerWaalsContact CE1-CG 3.41Å; H264-L412 WeakPolarHBondContact CE1-CG 3.24Å; H264-L412 WeakPolarHBondContact NE2-CD2 3.32Å; H264-L412 VanDerWaalsContact NE2-CG 3.29Å; H264-L412 WeakPolarHBondContact NE2-CG 3.48Å; P265-L412 HydrophobicContact CG-CD2 3.8Å; H410-L412 PolarHBondContact O-N 2.71Å; L412-R414 PolarHBondContact O-N 2.99Å | ||
| 413 | N | 30 | Very low | 52.9 | Low | 30 Ų | 30 | 87.5 Ų | 87.5 | 16% | 0.16 | 38% | 0.384 | C | S | . | . | trans | -57.7 | 116.3 | 168 | -70.9 | -33.7 | 0 | 0 | 0 | 110.4 | A266 D271 | A266-N413 WeakPolarHBondContact CA-ND2 3.41Å; A266-N413 WeakPolarHBondContact CB-ND2 3.38Å; D271-N413 VanDerWaalsContact CB-ND2 3.28Å; D271-N413 WeakPolarHBondContact CB-ND2 3.25Å; D271-N413 PolarHBondContact OD1-ND2 3.23Å; D271-N413 PolarHBondContact OD2-ND2 2.99Å | ||
| 414 | R | 28.6 | Very low | 51.1 | Low | 216 Ų | 216 | 78.6 Ų | 78.6 | 82% | 0.815 | 36% | 0.355 | S | S | * | . | trans | 172.9 | 107.1 | 144.3 | -95.3 | 164 | -174.1 | -157.4 | 2 | 110 | L412 | L412-R414 PolarHBondContact O-N 2.99Š| ||
| 415 | V | 26 | Very low | 48.8 | Very low | 57 Ų | 57 | 77.2 Ų | 77.2 | 35% | 0.345 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 58.2 | 110.8 | 135.7 | -166.9 | 0 | 0 | 0 | 0 | 116 | H365 | H365-V415 WeakPolarHBondContact NE2-CG1 3.47Š|
| 416 | W | 23.7 | Very low | 47 | Very low | 167 Ų | 167 | 75 Ų | 75 | 63% | 0.633 | 34% | 0.342 | S | S | * | . | trans | 82.2 | 96.4 | 179.2 | -56.8 | 81.4 | 0 | 0 | 0 | 117.3 | F418 | W416-F418 HydrophobicContact CE3-CD2 4.41Å; W416-F418 AromaticContact CE3-CE2 3.98Å; W416-F418 HydrophobicContact CE3-CE2 3.98Å; W416-F418 HydrophobicContact CZ3-CE2 4.13Å | ||
| 417 | K | 38.1 | Very low | 45.2 | Very low | 31 Ų | 31 | 74.9 Ų | 74.9 | 14% | 0.135 | 34% | 0.335 | C | S | . | . | trans | -134.1 | 85.3 | 176 | -66.2 | -174.4 | -174.8 | 172 | 0 | 111.7 | R357 F436 | R357-K417 VanDerWaalsContact CZ-NZ 3.35Å; K417-F436 HydrophobicContact CB-CE1 4.38Å; K417-F436 HydrophobicContact CD-CE1 4.27Å; K417-F436 HydrophobicContact CD-CZ 4.48Å; K417-F436 HydrophobicContact CG-CE1 3.82Å; K417-F436 HydrophobicContact CG-CZ 4.46Å | ||
| 418 | F | 38.3 | Very low | 43.2 | Very low | 144 Ų | 144 | 71.5 Ų | 71.5 | 63% | 0.632 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -89 | -29.6 | 175.4 | -87.6 | -80.8 | 0 | 0 | 0 | 114 | V372 W416 | V372-F418 WeakPolarHBondContact CB-O 3.24Å; W416-F418 HydrophobicContact CE3-CD2 4.41Å; W416-F418 AromaticContact CE3-CE2 3.98Å; W416-F418 HydrophobicContact CE3-CE2 3.98Å; W416-F418 HydrophobicContact CZ3-CE2 4.13Å |
| 419 | L | 42 | Very low | 41.5 | Very low | 14 Ų | 14 | 71.7 Ų | 71.7 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 121.3 | -178.8 | -176.2 | 68.4 | 0 | 0 | 0 | 110.3 | V372 F393 F394 I421 | V372-L419 HydrophobicContact CB-CD1 4.2Å; V372-L419 HydrophobicContact CG1-CD1 3.61Å; V372-L419 WeakPolarHBondContact O-CA 3.5Å; F393-L419 HydrophobicContact CD1-CD2 3.38Å; F393-L419 HydrophobicContact CE1-CD1 4.38Å; F393-L419 HydrophobicContact CE1-CD2 3.5Å; F393-L419 VanDerWaalsContact CE1-CD2 3.5Å; F393-L419 HydrophobicContact CE1-CG 4.44Å; F393-L419 HydrophobicContact CG-CD2 4.02Å; F393-L419 HydrophobicContact CZ-CD1 4.34Å; F393-L419 HydrophobicContact CZ-CD2 4.23Å; F394-L419 HydrophobicContact CE2-CD2 3.92Å; F394-L419 HydrophobicContact CZ-CD2 4.31Å; L419-I421 HydrophobicContact CD1-CG1 4.22Å; L419-I421 HydrophobicContact CD2-CD1 3.82Å; L419-I421 HydrophobicContact CD2-CG1 3.9Å; L419-I421 HydrophobicContact CG-CD1 4.28Å; L419-I421 HydrophobicContact CG-CG1 3.81Å |
| 420 | V | 55.9 | Low | 39.9 | Very low | 6 Ų | 6 | 77.4 Ų | 77.4 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.4 | 168.1 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | V372 E373 G374 I422 Y434 F436 | V372-V420 PolarHBondContact O-N 3.34Å; V372-V420 VanDerWaalsContact O-N 3.08Å; E373-V420 CarbonylContact C-O 3.55Å; E373-V420 WeakPolarHBondContact CA-O 3.37Å; E373-V420 HydrophobicContact CB-CB 4.37Å; E373-V420 HydrophobicContact CG-CB 3.95Å; E373-V420 HydrophobicContact CG-CG1 4.19Å; E373-V420 WeakPolarHBondContact CG-O 3.41Å; G374-V420 PolarHBondContact N-O 3.12Å; V420-I422 HydrophobicContact CG1-CD1 4.28Å; V420-I422 HydrophobicContact CG1-CG1 3.92Å; V420-Y434 HydrophobicContact CG1-CD1 4.1Å; V420-Y434 HydrophobicContact CG1-CE1 4.28Å; V420-F436 HydrophobicContact CG2-CE1 3.71Å; V420-F436 HydrophobicContact CG2-CZ 3.9Å |
| 421 | I | 57.4 | Low | 38.7 | Very low | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.1 | 168.6 | -55.3 | -164.8 | 0 | 0 | 0 | 110 | G374 L386 V389 I390 L419 | G374-I421 CarbonylContact O-C 3.56Å; G374-I421 WeakPolarHBondContact O-CA 3.41Å; L386-I421 HydrophobicContact CD1-CB 3.73Å; L386-I421 HydrophobicContact CD1-CG2 3.51Å; V389-I421 HydrophobicContact CG1-CD1 3.76Å; V389-I421 HydrophobicContact CG1-CG2 4.3Å; I390-I421 HydrophobicContact CG1-CB 4.33Å; I390-I421 HydrophobicContact CG1-CD1 3.72Å; I390-I421 HydrophobicContact CG1-CG1 4.2Å; L419-I421 HydrophobicContact CD1-CG1 4.22Å; L419-I421 HydrophobicContact CD2-CD1 3.82Å; L419-I421 HydrophobicContact CD2-CG1 3.9Å; L419-I421 HydrophobicContact CG-CD1 4.28Å; L419-I421 HydrophobicContact CG-CG1 3.81Å |
| 422 | I | 59.5 | Low | 38 | Very low | 2 Ų | 2 | 81.6 Ų | 81.6 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.3 | -179.6 | -48.6 | -174.2 | 0 | 0 | 0 | 109.1 | T328 E373 G374 L375 V376 V420 V424 L432 Y434 | T328-I422 HydrophobicContact CG2-CD1 3.61Å; E373-I422 WeakPolarHBondContact OE1-CD1 3.33Å; G374-I422 PolarHBondContact O-N 3.46Å; L375-I422 CarbonylContact C-O 3.52Å; L375-I422 WeakPolarHBondContact CA-O 3.48Å; L375-I422 HydrophobicContact CB-CB 4.49Å; L375-I422 HydrophobicContact CD1-CB 3.74Å; L375-I422 HydrophobicContact CD1-CG2 3.85Å; V376-I422 PolarHBondContact N-O 3.31Å; V420-I422 HydrophobicContact CG1-CD1 4.28Å; V420-I422 HydrophobicContact CG1-CG1 3.92Å; I422-V424 HydrophobicContact CG2-CG2 4.06Å; I422-L432 HydrophobicContact CG2-CD2 3.74Å; I422-Y434 HydrophobicContact CB-CE1 4.33Å; I422-Y434 HydrophobicContact CD1-CD1 4.31Å; I422-Y434 HydrophobicContact CD1-CE1 3.43Å; I422-Y434 VanDerWaalsContact CD1-CE1 3.43Å; I422-Y434 HydrophobicContact CG1-CD1 3.84Å; I422-Y434 HydrophobicContact CG1-CE1 3.43Å; I422-Y434 VanDerWaalsContact CG1-CE1 3.43Å; I422-Y434 HydrophobicContact CG2-CE1 4.16Å |
| 423 | L | 45.6 | Very low | 38 | Very low | 7 Ų | 7 | 79.2 Ų | 79.2 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.7 | 166.3 | -62.9 | -167.7 | 0 | 0 | 0 | 110.6 | V376 L381 S382 H385 L386 | V376-L423 HydrophobicContact CB-CD2 3.63Å; V376-L423 HydrophobicContact CG1-CD2 4.42Å; V376-L423 HydrophobicContact CG2-CD2 4.11Å; V376-L423 WeakPolarHBondContact O-CA 3.41Å; L381-L423 HydrophobicContact CB-CB 4.31Å; L381-L423 HydrophobicContact CB-CD1 4.14Å; L381-L423 HydrophobicContact CD1-CB 4.03Å; L381-L423 HydrophobicContact CD1-CD2 4.19Å; L381-L423 HydrophobicContact CD1-CG 4.48Å; S382-L423 VanDerWaalsContact O-CD1 3.31Å; S382-L423 WeakPolarHBondContact O-CD1 3.01Å; H385-L423 HydrophobicContact CB-CD1 4.05Å; L386-L423 HydrophobicContact CB-CD1 3.5Å; L386-L423 HydrophobicContact CB-CG 3.93Å; L386-L423 HydrophobicContact CD1-CD2 4.48Å; L386-L423 HydrophobicContact CD1-CG 4.09Å; L386-L423 HydrophobicContact CG-CG 4.46Å |
| 424 | V | 52.5 | Low | 38.1 | Very low | 41 Ų | 41 | 79.9 Ų | 79.9 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 111.8 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | L335 L375 V376 A377 D378 L381 I422 | L335-V424 HydrophobicContact CD1-CG2 3.78Å; L335-V424 HydrophobicContact CD2-CB 4.19Å; L335-V424 HydrophobicContact CD2-CG1 4.21Å; L335-V424 HydrophobicContact CD2-CG2 3.96Å; L375-V424 HydrophobicContact CD1-CB 4.45Å; L375-V424 HydrophobicContact CD1-CG2 3.67Å; V376-V424 PolarHBondContact O-N 2.99Å; A377-V424 WeakPolarHBondContact CA-O 3.36Å; A377-V424 HydrophobicContact CB-CB 4.29Å; D378-V424 PolarHBondContact N-O 3Å; D378-V424 VanDerWaalsContact N-O 3.09Å; L381-V424 WeakPolarHBondContact CD1-O 3.5Å; I422-V424 HydrophobicContact CG2-CG2 4.06Å |
| 425 | S | 39.7 | Very low | 38.1 | Very low | 25 Ų | 25 | 70.3 Ų | 70.3 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.9 | 179.6 | -162.5 | 0 | 0 | 0 | 0 | 113.7 | D378 G380 L381 Y427 | D378-S425 VanDerWaalsContact O-CA 3.24Å; D378-S425 WeakPolarHBondContact O-CA 2.63Å; G380-S425 PolarHBondContact N-OG 2.87Å; L381-S425 PolarHBondContact N-OG 3.42Å; L381-S425 VanDerWaalsContact N-OG 3.07Å; S425-Y427 VanDerWaalsContact C-N 3.29Å; S425-Y427 PolarHBondContact O-N 2.57Å |
| 426 | K | 46.6 | Very low | 38.1 | Very low | 114 Ų | 114 | 69.8 Ų | 69.8 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11.6 | -179.2 | -173.3 | 164.5 | 169.6 | -172.8 | 0 | 115.4 | F344 D378 F379 | F344-K426 HydrophobicContact CB-CD 3.78Å; F344-K426 HydrophobicContact CD1-CD 3.78Å; F344-K426 HydrophobicContact CD2-CD 4.06Å; F344-K426 HydrophobicContact CE1-CD 4.35Å; F344-K426 HydrophobicContact CG-CD 3.6Å; D378-K426 PolarHBondContact O-N 3.36Å; F379-K426 HydrophobicContact CD1-CB 3.76Å; F379-K426 HydrophobicContact CD1-CD 4.31Å; F379-K426 HydrophobicContact CD1-CG 4.24Å; F379-K426 HydrophobicContact CE1-CB 3.93Å; F379-K426 HydrophobicContact CE1-CD 3.57Å; F379-K426 HydrophobicContact CE1-CG 3.95Å; F379-K426 HydrophobicContact CZ-CD 4.15Å |
| 427 | Y | 42 | Very low | 38.4 | Very low | 186 Ų | 186 | 63.3 Ų | 63.3 | 73% | 0.729 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | 0.1 | -177.4 | -80.4 | -70.1 | 0 | 0 | 0 | 116 | F379 S425 | F379-Y427 HydrophobicContact CB-CD2 4.29Å; F379-Y427 AromaticContact CD1-CD2 3.5Å; F379-Y427 HydrophobicContact CD1-CD2 3.5Å; F379-Y427 VanDerWaalsContact CD1-CD2 3.5Å; F379-Y427 AromaticContact CD1-CE2 3.3Å; F379-Y427 HydrophobicContact CD1-CE2 3.3Å; F379-Y427 HydrophobicContact CE1-CD2 4.27Å; F379-Y427 AromaticContact CE1-CE2 3.68Å; F379-Y427 HydrophobicContact CE1-CE2 3.68Å; F379-Y427 HydrophobicContact CG-CD2 4.35Å; F379-Y427 HydrophobicContact CG-CE2 4.29Å; S425-Y427 VanDerWaalsContact C-N 3.29Å; S425-Y427 PolarHBondContact O-N 2.57Å |
| 428 | S | 30.4 | Very low | 37.9 | Very low | 63 Ų | 63 | 65.7 Ų | 65.7 | 44% | 0.441 | 32% | 0.324 | S | S | . | . | trans | -109.6 | 106.3 | 174.8 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | K430 | S428-K430 WeakPolarHBondContact CB-O 3.47Å; S428-K430 PolarHBondContact O-N 3.41Å; S428-K430 PolarHBondContact OG-N 3.2Å; S428-K430 PolarHBondContact OG-O 2.89Å | ||
| 429 | Q | 30.2 | Very low | 37.5 | Very low | 155 Ų | 155 | 63 Ų | 63 | 72% | 0.724 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -62.2 | 1.3 | 165 | -79.7 | -167.5 | -19.3 | 0 | 0 | 112.8 | ||
| 430 | K | 25.9 | Very low | 36.7 | Very low | 165 Ų | 165 | 69 Ų | 69 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -122.9 | 126.9 | -178.8 | -66.1 | -178.8 | 177.9 | 179.3 | 0 | 109.7 | S428 | S428-K430 WeakPolarHBondContact CB-O 3.47Å; S428-K430 PolarHBondContact O-N 3.41Å; S428-K430 PolarHBondContact OG-N 3.2Å; S428-K430 PolarHBondContact OG-O 2.89Å |
| 431 | S | 25.9 | Very low | 35.5 | Very low | 93 Ų | 93 | 82.3 Ų | 82.3 | 65% | 0.65 | 40% | 0.397 | S | S | * | . | trans | 73.8 | 106.3 | 165.3 | 33.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 432 | L | 30.3 | Very low | 34.4 | Very low | 105 Ų | 105 | 86.4 Ų | 86.4 | 55% | 0.55 | 42% | 0.416 | S | S | . | . | trans | -62.1 | 123.6 | 140.7 | -96.1 | 109 | 0 | 0 | 0 | 107.6 | I422 Y434 | I422-L432 HydrophobicContact CG2-CD2 3.74Å; L432-Y434 HydrophobicContact CB-CD2 4.18Å; L432-Y434 HydrophobicContact CB-CE2 3.74Å; L432-Y434 HydrophobicContact CD2-CD2 4.43Å; L432-Y434 HydrophobicContact CD2-CE2 3.42Å; L432-Y434 VanDerWaalsContact CD2-CE2 3.42Å; L432-Y434 WeakPolarHBondContact CD2-OH 3.38Å; L432-Y434 HydrophobicContact CG-CE2 4.2Å | ||
| 433 | I | 29.9 | Very low | 33.1 | Very low | 41 Ų | 41 | 90.8 Ų | 90.8 | 21% | 0.21 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 116.8 | 176.5 | -54.8 | 178.8 | 0 | 0 | 0 | 107.4 | L383 L386 | L383-I433 HydrophobicContact CB-CD1 4.09Å; L383-I433 HydrophobicContact CB-CG2 4.28Å; L383-I433 HydrophobicContact CD1-CG2 3.49Å; L383-I433 VanDerWaalsContact CD1-CG2 3.49Å; L383-I433 HydrophobicContact CG-CG2 4.44Å; L386-I433 HydrophobicContact CD2-CB 4.34Å; L386-I433 HydrophobicContact CD2-CG2 3.59Å |
| 434 | Y | 31.1 | Very low | 32.4 | Very low | 44 Ų | 44 | 95.5 Ų | 95.5 | 17% | 0.173 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 144.5 | 173.7 | -69.4 | -96 | 0 | 0 | 0 | 109.3 | I409 V420 I422 L432 | I409-Y434 HydrophobicContact CB-CD2 4.48Å; I409-Y434 HydrophobicContact CD1-CG 3.96Å; I409-Y434 HydrophobicContact CG2-CD2 4.08Å; I409-Y434 HydrophobicContact CG2-CE2 4.34Å; I409-Y434 HydrophobicContact CG2-CG 4.23Å; V420-Y434 HydrophobicContact CG1-CD1 4.1Å; V420-Y434 HydrophobicContact CG1-CE1 4.28Å; I422-Y434 HydrophobicContact CB-CE1 4.33Å; I422-Y434 HydrophobicContact CD1-CD1 4.31Å; I422-Y434 HydrophobicContact CD1-CE1 3.43Å; I422-Y434 VanDerWaalsContact CD1-CE1 3.43Å; I422-Y434 HydrophobicContact CG1-CD1 3.84Å; I422-Y434 HydrophobicContact CG1-CE1 3.43Å; I422-Y434 VanDerWaalsContact CG1-CE1 3.43Å; I422-Y434 HydrophobicContact CG2-CE1 4.16Å; L432-Y434 HydrophobicContact CB-CD2 4.18Å; L432-Y434 HydrophobicContact CB-CE2 3.74Å; L432-Y434 HydrophobicContact CD2-CD2 4.43Å; L432-Y434 HydrophobicContact CD2-CE2 3.42Å; L432-Y434 VanDerWaalsContact CD2-CE2 3.42Å; L432-Y434 WeakPolarHBondContact CD2-OH 3.38Å; L432-Y434 HydrophobicContact CG-CE2 4.2Å |
| 435 | A | 28.2 | Very low | 31.2 | Very low | 16 Ų | 16 | 98.7 Ų | 98.7 | 13% | 0.132 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 127.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L386 I390 | L386-A435 HydrophobicContact CD1-CB 4.49Å; L386-A435 HydrophobicContact CD2-CB 3.46Å; L386-A435 VanDerWaalsContact CD2-CB 3.46Å; L386-A435 HydrophobicContact CG-CB 3.9Å; I390-A435 HydrophobicContact CD1-CB 3.61Å |
| 436 | F | 27.9 | Very low | 30.7 | Very low | 46 Ų | 46 | 103.3 Ų | 103.3 | 20% | 0.202 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -97.5 | 133.3 | 167.1 | -75.4 | -84.5 | 0 | 0 | 0 | 109.1 | I409 K417 V420 | I409-F436 HydrophobicContact CD1-CD2 3.73Å; I409-F436 HydrophobicContact CD1-CE2 3.54Å; I409-F436 HydrophobicContact CG1-CD2 4.42Å; I409-F436 HydrophobicContact CG1-CE2 4.01Å; K417-F436 HydrophobicContact CB-CE1 4.38Å; K417-F436 HydrophobicContact CD-CE1 4.27Å; K417-F436 HydrophobicContact CD-CZ 4.48Å; K417-F436 HydrophobicContact CG-CE1 3.82Å; K417-F436 HydrophobicContact CG-CZ 4.46Å; V420-F436 HydrophobicContact CG2-CE1 3.71Å; V420-F436 HydrophobicContact CG2-CZ 3.9Å |
| 437 | V | 28.5 | Very low | 29.6 | Very low | 30 Ų | 30 | 102.6 Ų | 102.6 | 18% | 0.182 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 119.8 | 166.9 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | I390 F394 L402 F404 | I390-V437 HydrophobicContact CD1-CG2 4.41Å; I390-V437 HydrophobicContact CG2-CG2 3.26Å; F394-V437 HydrophobicContact CD2-CG1 4.49Å; F394-V437 HydrophobicContact CD2-CG2 4.21Å; F394-V437 HydrophobicContact CE2-CB 3.73Å; F394-V437 HydrophobicContact CE2-CG1 3.93Å; F394-V437 HydrophobicContact CE2-CG2 3.59Å; F394-V437 HydrophobicContact CZ-CB 3.95Å; F394-V437 HydrophobicContact CZ-CG1 4Å; F394-V437 HydrophobicContact CZ-CG2 4.32Å; L402-V437 HydrophobicContact CD2-CG1 3.99Å; F404-V437 HydrophobicContact CE1-CG2 4.46Å |
| 438 | H | 28 | Very low | 28.7 | Very low | 82 Ų | 82 | 96.6 Ų | 96.6 | 38% | 0.38 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -89 | 125.9 | 162.4 | -109.1 | -88.2 | 0 | 0 | 0 | 108.1 | R407 | R407-H438 PolarHBondContact NH2-CD2 2.86Å; R407-H438 PolarHBondContact NH2-NE2 2.92Å; R407-H438 VanDerWaalsContact NH2-NE2 3.13Å |
| 439 | H | 28.9 | Very low | 28.6 | Very low | 88 Ų | 88 | 99.2 Ų | 99.2 | 41% | 0.407 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 121.3 | 156.3 | -132.5 | -53.1 | 0 | 0 | 0 | 107.1 | L399 | L399-H439 WeakPolarHBondContact CD2-NE2 3.24Š|
| 440 | N | 26.3 | Very low | 28.5 | Very low | 138 Ų | 138 | 94.6 Ų | 94.6 | 74% | 0.738 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 128 | 158.4 | -71 | -17.3 | 0 | 0 | 0 | 106.1 | ||
| 441 | Y | 30.7 | Very low | 28.7 | Very low | 287 Ų | 287 | 88.2 Ų | 88.2 | 100% | 1.125 | 43% | 0.432 | S | S | * | . | trans | -87 | 0 | 146.9 | -89.5 | -80.9 | 0 | 0 | 0 | 107.9 |
Retrieved 441 of 441 residues in 256.4 ms
(Link to these results)